1 N=C=S~    2.848
2 SC#N~    3.836
4 NC#N~    4.479
5 OS(=O)(=O)C(=[N+]=[N-])S(O)(=O)=O~   15.006
7 OC=O~    6.125
8 OC(O)=O~    8.218
9 SC(S)=S~    4.226
10 NC=O~    7.815
11 C[N+]([O-])=O~    4.376
12 NC(S)=S~    4.094
13 N=C1NNN=N1~   10.393
14 NC=N~    6.644
16 NC(N)=O~    9.438
18 NC(N)=S~    6.801
19 NNC(S)=S~    6.472
21 CS(S)(=O)=O~    4.495
22 CS(O)(=O)=O~    7.900
23 OCS(O)(=O)=O~   12.337
25 OS(=O)(=O)CS(O)(=O)=O~   14.668
26 CON~    5.656
27 CNO~    7.818
28 CS(N)(=O)=O~    5.676
29 NCS(O)(=O)=O~    9.218
31 NNC(N)=O~   11.818
32 NC(=O)NN(O)O~   17.213
35 NN(C(N)=N)[N+]([O-])=O~   13.726
36 NNC(=O)NN~   14.196
37 NC(=N)NN(O)O~   18.407
38 NNC(=S)NN~   11.559
39 NNC(=N)NN(O)O~   20.785
41 [O-][N+](=O)C([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O~   14.104
42 S=C1NNC(=S)S1~    4.656
43 S=C1NSC(=S)N1~    3.924
44 OC(=O)C=O~    8.526
45 CC#N~    4.514
46 OCC#N~    5.132
48 NC(=O)C(O)=O~   12.308
49 OS(=O)(=O)OCC#N~    7.652
50 CSC#N~    4.359
53 O=C1NNC(=O)N1~   11.222
54 N=C1NN=CS1~    8.668
55 N=C1NC(=N)SS1~   10.087
58 NC(=O)C(N)=O~   10.799
59 ON=CC=NO~    9.452
60 NNC(=O)C(O)=O~   14.686
63 NC(=N)NC#N~    9.648
65 NN1C=NN=C1~    8.682
67 CC1=NN=NN1~    6.171
68 NC1=NC(=N1)N~   11.951
69 N=C1NNC=N1~   10.341
73 NS(=O)(=O)C1=NNC(=N)S1~   13.209
75 N=C1NNC(=S)N1~   10.499
76 NC(=O)NC1=NN=NN1~   13.642
77 CC=O~    4.169
78 COC(S)=S~    4.708
80 OC(=O)CS~    7.712
81 OCC(O)=O~    7.069
82 O=S1OCCO1~    5.040
86 CNC=O~    7.474
88 CC(N)=O~    7.951
90 COC(N)=O~    7.402
92 CC[N+]([O-])=O~    4.253
95 NCC(O)=O~    8.951
96 CCO[N+]([O-])=O~    3.580
97 OCC[N+]([O-])=O~    8.690
100 CC(N)=S~    5.191
101 CNC(S)=S~    3.752
102 NC(=O)NC(N)=O~   12.693
103 CN(N=O)C(N)=O~   10.004
104 NNC(=O)C(N)=O~   13.177
105 NC(=S)NC(N)=S~    8.141
107 CN1NN=NC1=N~   10.051
108 NC(=N)NC1=NN=NN1~   14.836
109 CC(N)=N~    6.520
110 COC(N)=N~    8.575
111 CC(=O)NN~   10.331
112 NCC(N)=O~   10.638
113 CC(=N)NO~    9.219
114 CN(C)N=O~    5.686
117 COC(=O)NN~    9.783
118 NC(=O)NCO~   12.233
119 CONC(N)=O~    7.762
121 CSC(=S)NN~    6.996
122 CNC(=N)NN=O~   11.197
123 NNC(=O)C(=O)NN~   15.556
126 NNC(=O)NC(N)=O~   15.073
127 NC(=S)NNC(N)=S~   10.520
129 NN1C(=N)NNC1=N~   16.708
131 NNC1=NNC(=S)N1N~   15.257
132 CS(C)=O~    7.305
133 OCCS~    6.896
143 OCCO~    6.883
144 CSS(C)(=O)=O~    5.016
146 COS(=O)OC~    4.684
147 COS(C)(=O)=O~    5.395
148 OCCS(O)(=O)=O~   12.214
150 O[CH]([CH](O)S(O)(=O)=O)S(O)(=O)=O~   20.418
151 OS(=O)(=O)CC(S(O)(=O)=O)S(O)(=O)=O~   21.311
152 CCS~    2.460
153 CSSC~    2.917
155 CNC~    4.780
158 NCCO~    9.434
159 CN(C)O~    7.478
161 NCCS(O)(=O)=O~   11.764
163 CS(=O)(=O)NS(C)(=O)=O~    5.889
165 CSC(=N)NN(O)O~   16.390
166 NNC(=O)NNC(N)=O~   21.372
167 NNC(=O)NC(=O)NN~   17.452
168 CN(N=O)C(=N)NN(O)O~   18.975
169 CN(C(=N)NN(O)O)[N+]([O-])=O~   18.783
171 NNC(=N)C(=N)NN~   16.788
173 S=C1SSC(=S)SS1~    5.565
174 ON=C(C#N)C#N~    8.298
175 NCCCN~    8.863
176 NCC(O)CN~   13.299
177 C[CH](O)CNN~   11.690
178 CN(C)C(=N)NN(O)O~   17.724
180 OCCNC(=N)NN(O)O~   22.379
181 C[N+](C)(C)N~   15.300
182 N#CCC#N~    7.896
183 O=C1NC(=O)C(=O)N1~   12.163
184 N#CSCSC#N~    7.583
185 S=C=NCN=C=S~    1.382
186 OC1=C2N=NNC2=NN=N1~   14.480
187 OC(=O)C#C~    6.818
191 C=CC#N~    3.860
193 O=C1CSC(=S)N1~    7.583
194 OC(=O)CC#N~    9.644
197 S=C1NC=CS1~    3.983
198 C1=NC=NC=N1~    5.917
199 O=CC1=CNN=N1~    8.426
200 OC1=NC(=CN=N1)S~    9.332
201 OC1=NC(=NC(=N1)S)S~    8.747
203 NC(=O)C(=NO)C#N~   10.434
204 OC1=NC(=NN=C1)O~   13.889
205 [O-][N+](=O)C1=CNC=N1~    7.830
206 [O-][N+](=O)C1=CNC(=N)S1~   10.886
207 OC1=NC(=NC(=N1)S)O~   13.307
208 OC1=NC(=NC(=N1)O)O~   17.866
209 N=C(NC#N)NC#N~    8.664
210 NC(=O)C1=C(N=NN1)[N+]#N~   13.194
211 C=NCC#N~    5.697
212 N1C=CC=N1~    5.433
214 NC(=O)CC#N~   11.333
216 O=C1CNC(=S)N1~    8.128
217 OC1=CSC(=N)N1~   10.222
218 N=C1NC(=O)CS1~   11.583
219 NN1C(=O)CSC1=S~    9.963
220 O=C1CNC(=O)N1~    8.804
223 C=NC(=S)N=C~    1.189
227 N=C1NC(=N)SC(=S)N1~   11.445
228 OCC#C~    6.231
229 C=CC=O~    4.446
231 OC(=O)C=C~    6.539
232 C=COC=O~    2.796
233 O=C1CCO1~    4.112
235 CC(=O)C(O)=O~    8.662
237 O=C1OCCO1~    3.562
240 S=C1SCCS1~    5.625
241 CCC#N~    4.391
243 C[CH](O)C#N~    5.009
245 COCC#N~    2.627
248 O=C1NCCO1~    7.417
251 NC(=O)CC(O)=O~   13.080
252 OC(=O)CNC=O~   11.302
253 OS(=O)(=O)CCC#N~   11.159
254 COC(=O)C[N+]([O-])=O~    7.000
255 CCSC#N~    4.235
257 NNC(=O)CC#N~   13.712
260 N=C1CC(=O)NN1~   11.866
263 CCC([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O~   10.614
264 NC1=CSC(=N)N1~    9.152
265 CC1=NNC(=N)S1~    8.544
266 NC1=NC(=NC=N1)N~    9.272
269 NC1=NC(=NC(=N1)S)N~    8.695
271 C[CH](N)C#N~    8.380
274 O=C1NCCN1~    9.110
276 CC(=O)NC(N)=S~    9.291
277 NC(=O)CC(N)=O~   11.570
278 CC(=O)NC(N)=O~    9.967
279 O=CNCNC=O~    8.114
280 NC(=O)CNC=O~    9.793
281 CC(C=NO)=NO~    9.329
282 NN1CCOC1=O~    9.796
285 COC(=O)NC(N)=O~    9.418
286 NC(=O)NCC(O)=O~   12.924
288 CC(C)([N+]([O-])=O)[N+]([O-])=O~    7.373
290 COC(=O)N(C)[N+]([O-])=O~    7.777
292 OCC(CO)([N+]([O-])=O)[N+]([O-])=O~   13.246
293 S=C1NCCN1~    6.474
296 N=C1NCCS1~    8.629
298 CC1=NC(=N)NN1~   10.218
299 NC(=O)NC=NC(N)=O~   17.796
300 [O-][N+](=O)N1CCNC1=N~   11.020
304 NC1=NC(=NC(=N1)N)N~   12.724
305 OC(CN=[N+]=[N-])CN=[N+]=[N-]~   10.561
307 OCC=C~    5.252
308 C1COC1~    4.197
313 SCCOC(S)=S~    6.035
315 OC[CH]1CO1~    8.234
318 OC(=O)CCS~    7.588
319 OCCOC=O~    7.932
320 COCC(O)=O~    7.343
321 COC(=O)OC~    3.208
322 OCC(=O)CO~    2.917
324 COC(=O)CO~    4.562
326 O=S1(=O)CCOC1~    7.492
327 O=S1(=O)CCCO1~    5.627
329 OS(=O)(=O)OCC=C~    7.971
330 O=S1(=O)CSCS(=O)(=O)C1~   11.728
332 CS(=O)(=O)OCC(O)=O~    9.674
333 O=S1(=O)CS(=O)(=O)CS(=O)(=O)C1~   13.827
336 C[CH]1CS1~    3.337
339 C[CH]1CN1~    5.011
340 CNC(C)=O~    7.609
341 CN(C)C=O~    7.132
342 CC(C)=NO~    5.108
344 CCOC(N)=O~    7.280
345 CC(C)[N+]([O-])=O~    4.130
346 CCC[N+]([O-])=O~    4.130
347 C[CH](N)C(O)=O~    8.827
348 NCCC(O)=O~   10.126
349 COC(=O)CN~    6.444
350 C[CH](O)C(N)=O~    8.635
351 CNCC(O)=O~    8.607
352 CNC(=O)CO~    8.417
353 CNC(=O)OC~    7.061
354 OCCNC=O~   11.788
356 NC(=O)OCCO~   11.717
357 N[CH](CO)C(O)=O~   13.263
358 C[CH](CO)[N+]([O-])=O~    8.567
359 C[CH](O)C[N+]([O-])=O~    8.567
360 C[CH](O)C(=O)NO~   11.333
361 C[CH](ON)C(O)=O~    9.810
363 NC(=O)CCS(O)(=O)=O~   14.595
364 N[CH](COS(O)(=O)=O)C(O)=O~   15.783
365 CCSC(N)=S~    4.492
367 CN(C)C(S)=S~    3.411
369 N=C1NCCN1~   10.304
370 NC(=N)CC(N)=O~   13.339
371 CNC(=S)N(C)N=O~    7.026
373 NNC(=O)CNC=O~   12.171
374 NC(=N)NCC(O)=O~   14.118
375 CNC(=O)NC(N)=O~   12.352
377 CNC(=O)N(C)N=O~    9.662
378 CN(C)C1=NN=NN1~    8.012
380 CNCC(N)=O~   10.298
382 CNC(=O)NC~    8.754
384 CN(C)C(N)=O~    8.754
387 CCOC(=O)NN~    9.660
388 C[CH](N)C(=O)NO~   13.214
389 C[CH](O)C(=O)NN~   11.014
390 CCN(O)C(N)=O~    9.801
391 OCNC(=O)NCO~   12.029
392 CCOC(=O)NN(O)O~   15.055
394 CCSC(N)=N~    8.492
397 NC(=O)NCNC(N)=O~   17.759
398 NC(=N)SCSC(N)=N~   16.097
399 NC(=O)NNC(=O)NNC(N)=O~   28.547
400 ON(O)NC(=N)N(CCO[N+]([O-])=O)N=O~   21.419
401 CC(C)O~    5.124
402 CCCO~    5.124
403 CSCCO~    7.419
404 OCCCS~    6.775
411 OC(CS)CS~    8.223
412 OC[CH](S)CS~    8.223
414 OC[CH](O)CS~    8.210
415 OCC(O)CO~    8.197
416 CC(C)S(O)(=O)=O~    7.654
417 CCOS(C)(=O)=O~    5.272
418 CCCOS(O)(=O)=O~    7.845
420 CC(C)(O)S(O)(=O)=O~   12.091
423 O[CH](C[CH](O)S(O)(=O)=O)S(O)(=O)=O~   20.295
424 C[S+](C)C~    2.818
426 CCCN~    4.873
427 C[CH](N)CO~    9.312
429 NCCCO~    9.312
430 CC(C)NO~    7.573
431 CS(=O)(=O)SCCN~    8.879
432 CNCCS(O)(=O)=O~   11.423
433 NCCC(=O)NN~   14.195
434 OC1NC(O)NC(O)N1~    8.461
436 CCN(N=O)C(=N)NN(O)O~   18.851
437 OCCN(N=O)C(=N)NN(O)O~   23.287
442 NN1CCOCC1~    9.322
443 CC(C)NC(N)=O~    8.851
446 CC(=O)NCCN~   11.475
447 CN(C)CC(N)=O~    9.955
448 CCCC(=O)NN~   10.085
449 CN(C)NC(C)=O~    9.648
451 CC[CH](NN)C(O)=O~   11.082
452 CCOC(=O)CNN~    8.699
454 CC(C)OC(=O)NN~    9.536
456 CC[CH]1CS(=O)(=O)NN1~    7.821
458 N[CH](CCS(N)(=O)=O)C(O)=O~   13.246
459 CN(C)CNC(S)=S~    4.558
463 ON(O)NC1=NCCCN1~   17.955
464 NNC(=O)CCC(=O)NN~   16.205
465 NC(=O)NCCNC(N)=O~   20.137
466 NC(=O)NCSCNC(N)=O~   16.893
467 NNC(=O)CSCC(=O)NN~   18.300
468 O[CH]1CNC(=NC1)NN(O)O~   22.394
469 CN(C(C)=O)C(=N)NN(O)O~   20.554
470 NNC(=O)C[CH](O)C(=O)NN~   17.012
471 NC(=N)SCCSC(N)=N~   15.975
472 NNC(=O)CN(CC(=O)NN)N=O~   18.281
474 CC(C)CO~    5.000
475 CC[CH](C)O~    5.000
477 SCCOCCS~    5.719
478 CC(C)(C)OO~    4.796
480 COC[CH](C)O~    7.255
483 C[CH](O)[CH](C)O~    6.638
484 CC[CH](O)CO~    6.638
486 CCSS(=O)(=O)CC~    4.770
487 OCCSSCCO~    8.544
488 COC[CH](O)CO~    8.693
489 OCCOCCO~    8.693
490 OCCOSCCO~    8.921
492 CCOS(=O)OCC~    4.439
494 CC(C)(C)S(O)(=O)=O~    7.530
497 OC[CH](O)[CH](O)CO~    9.511
498 CC(C)COS(O)(=O)=O~    7.721
499 CCCCOS(O)(=O)=O~    7.721
501 C[CH](CO)CS(O)(=O)=O~   11.967
502 OCCS(=O)(=O)CCO~   10.833
503 CSCC[CH](O)S(O)(=O)=O~   14.062
504 CS(=O)(=O)CCS(C)(=O)=O~    9.154
505 CS(=O)(=O)OCCOS(C)(=O)=O~    9.533
506 O[CH](CC[CH](O)S(O)(=O)=O)S(O)(=O)=O~   20.171
507 CC(C)(C)S~    2.214
509 CCSSCC~    2.670
511 CSC(SC)SC~    7.049
512 CSSC(SC)SC~    6.860
514 CNC(C)C~    4.533
515 CC(C)CN~    4.752
516 CCCCN~    4.752
517 CC[CH](C)N~    4.752
518 CC(C)(C)N~    4.752
520 CCNCC~    4.533
521 CC(C)(N)CO~    9.188
522 COCCCN~    6.807
524 CN(C)CCO~    8.752
525 CC[CH](O)CN~    9.188
527 CC(C)(O)CN~    9.188
528 OCCNCCO~   10.407
530 CCCCS(N)(=O)=O~    5.306
531 CCCNS(C)(=O)=O~    5.087
532 CCS(=O)(=O)N(C)C~    4.870
533 NC(CO)(CO)CO~   12.062
534 CC[CH](N)CS(O)(=O)=O~   11.519
536 OS(=O)(=O)OCCNCCOS(O)(=O)=O~   18.447
537 CN(C)CCS~    5.764
538 CC(C)NNC(N)=O~   11.229
539 CCCN(N=O)C(=N)NN(O)O~   18.726
540 CSCCN(N=O)C(=N)NN(O)O~   20.821
541 COCCN(N=O)C(=N)NN(O)O~   20.783
542 NCCCCN~    8.740
543 CNCCCN~    8.520
544 C[CH](N)CCN~    8.740
546 CC(C)(N)CN~    8.740
547 CN(C)CCN~    8.302
548 NCCNCCO~   12.959
549 OCCNNCCO~   12.785
550 CCNS(=O)(=O)NCC~    6.567
551 CN(C)S(=O)(=O)N(C)C~    6.130
552 NCCSSCCN~   10.646
555 CCCNC(=N)NN(O)O~   17.818
556 CSCCNC(=N)NN(O)O~   19.914
557 COCCNC(=N)NN(O)O~   19.873
558 OCCCNC(=N)NN(O)O~   22.256
559 C[CH](O)CNC(=N)NN(O)O~   22.256
560 CS(=O)(=O)CCNC(=N)NN(O)O~   22.014
561 CC[N+](C)(C)N~   15.177
562 ON(O)NC(=N)NCCNC(=N)NN(O)O~   34.873
564 O=C1NC(=O)C(=O)C(=O)N1~   14.562
565 [O-][N+](=O)C1=CC(=CS1)[N+]([O-])=O~    7.341
566 N#CSC=CSC#N~    6.611
567 SC(C#N)=C(S)C#N~    8.364
568 O=C1NC(=S)N=C2NSN=C12~    8.484
569 [N-]=[N+]=C1C=NC(=O)NC1=O~    6.556
571 S=C1N=CN=C2NSN=C12~    6.866
572 O=C1OC(=O)C=C1~    5.406
573 OC(=O)C#CC(O)=O~   12.018
574 O=C1NC(=O)C=C1~    8.199
575 [O-][N+](=O)C1=CC=CS1~    4.936
576 OC(=O)C1=C(O)N=C(S)N=N1~   10.928
577 OC(=O)C1=NNC=C1[N+]([O-])=O~   12.533
578 OC1=NC(=C(C=N1)[N+]([O-])=O)O~   12.405
580 OC1=C(C(=NC=N1)O)[N+]([O-])=O~    8.903
582 [O-][N+](=O)C1C(=O)NC(=O)NC1=O~   16.178
583 OC1=C2N=CNC2=NN=N1~   14.082
585 N=C1NC(=O)C2=NSNC2=N1~   12.313
586 OC1=NC(=C2N=NNC2=N1)O~   18.066
588 N=C1NC(=S)N=C2NSN=C12~    8.353
589 N#CCCC#N~    7.775
590 OC1=CC=NC=N1~    9.517
591 OC1=CC=CN=N1~    9.524
592 NC(=O)C=CC#N~   10.883
593 OC1=CN=CC=N1~    9.517
595 OC1=NC(=NC=C1)S~    8.939
597 OC1=NC(=CC=N1)S~    8.939
598 O=C1CC(=S)NC(=S)N1~    9.499
599 O=C1NC(=S)CC(=S)N1~    9.374
604 OC1=NC(=NC=C1)O~   13.500
605 OC(=O)C1=CNC=N1~   10.121
606 NC(=O)C#CC(N)=O~   12.198
607 OC1=CC=C(O)N=N1~   13.507
608 O=C1CC(=O)NC(=S)N1~    9.059
609 OC1=NC(=C(S)C=N1)O~   14.514
610 OC1=CC(=NC(=N1)O)S~   12.924
611 OC(=O)CSC1=NNC(=S)S1~   11.767
614 [O-][N+](=O)N1C(=O)CCC1=O~    8.312
615 OC(=O)[C]1(O)NC(=O)NC1=O~   13.440
616 SC1=NC=CC=N1~    4.959
618 N#CSCCSC#N~    7.461
619 SC1=NC(=NC=C1)S~    4.382
621 S=C1CC(=S)NC(=S)N1~    6.738
622 N=C1NNC=C1C#N~   11.373
623 [O-][N+](=O)N(CC#N)CC#N~   12.260
625 NC1=NC=C(C=N1)[N+]([O-])=O~    7.842
627 NC1=C(C=NC(=N1)S)[N+]([O-])=O~    9.474
628 NC1=C(N=O)C(=NC(=N1)S)O~   14.373
631 NC1=C(N=O)C(=NC(=N1)O)O~   18.932
632 OC1=NC(=C(NN=O)C=N1)O~   17.860
633 NC1=NC(=C(N=N1)C(O)=O)O~   11.406
634 OC1=NC(=NC(=C1)NN=O)O~   17.860
635 CSC1=NN=C2SC(=S)NN12~    9.415
636 NC(=O)C1=C(N=CN1)[N+]#N~   12.796
637 NC1=C2N=NNC2=NC=N1~   13.551
638 NC1=NC(=C2N=NNC2=N1)O~   13.983
639 O=C1CCC(=O)O1~    4.804
642 OC(=O)C=CC(O)=O~   11.870
643 OC(=O)[CH]1O[CH]1C(O)=O~   12.478
645 OC(=O)C(O)=C(O)C(O)=O~    8.684
646 C=CCC#N~    4.397
648 CC(=C)C#N~    3.666
650 CC1=CSC(=O)N1~    5.285
660 COC(=O)CSC#N~    6.983
667 C=CCN=C=S~    2.389
668 CC1=CSC=N1~    5.374
671 NC1=CN=CC=N1~    8.987
672 NC1=CC=CN=N1~    8.996
673 NC1=CC(=NC=N1)O~   12.971
674 NC1=NC(=NC=C1)O~   12.971
675 NC=C(C#N)C(N)=O~   14.548
677 NC1=NC(=CC=N1)O~    9.419
678 NC1=CC(=NC(=N1)S)O~   12.393
680 CC(=O)NC1=NN=CS1~   11.747
682 NC1=NC(=CC(=N1)S)O~    8.842
683 NC1=CC(=NC(=N1)O)S~   12.393
684 CSC1=NC(=CN=N1)O~    9.854
685 CC1=NNC=C1[N+]([O-])=O~    7.793
689 NC1=CC(=NC(=N1)O)O~   16.951
691 NC1=NC(=CC(=N1)O)O~   13.402
692 NC1=C(O)N=C(O)N=C1~   16.951
693 CC1=C(O)N=C(O)N=N1~   13.848
694 N[CH]1C(=O)NC(=O)NC1=S~   12.863
695 CN1C=NC(=C1S)[N+]([O-])=O~    7.514
696 NC1C(=O)NC(=O)NC1=O~   15.623
698 NS(=O)(=O)C1=C(O)N=C(O)N=C1~   17.606
700 OC1=NC(=C(NS(O)(=O)=O)C=N1)O~   19.860
702 NC1=NC(=CC=N1)S~    4.860
703 NC(=S)N1C=CC=N1~    8.285
705 NC1=NC(=CC(=N1)S)S~    4.283
706 NC1=CC(=NC(=N1)S)S~    7.833
707 NC(=S)NC1=NC=CS1~   10.208
709 NC1=NC(=C(N=O)C(=N1)O)N~   14.851
711 NC1=C(C(=NC=N1)N)[N+]([O-])=O~   12.162
712 NC1=NC(=C(C(=N1)O)[N+]([O-])=O)N~   10.435
713 CC1=NC=CN1~    5.383
714 CC1=CNC=N1~    5.383
716 CC1=NON=C1C~    3.638
719 OCC1=CNC=N1~    9.818
720 CNC(=O)CC#N~   10.991
721 OCN1C=CC=N1~    8.541
725 O=C1CCNC(=O)N1~    9.983
726 O=C1CCC(=O)NN1~    9.975
728 O=C1CNC(=O)CN1~    8.764
729 NC(=O)C=CC(N)=O~   12.049
731 OC(=O)[CH]1CSC(=N)N1~   12.458
734 CC1=C(N=CN1)S(O)(=O)=O~   11.712
735 CN1C=CNC1=S~    5.693
736 CSC1=NC=CN1~    6.963
737 CC1=CSC(=N)N1~    7.788
738 CN1SC(=S)N(C)C1=S~    3.242
739 S=C1NCCNC(=S)SS1~    5.611
741 NC1=C(N)N=CN=C1~   12.439
742 NC1=CC(=NC=N1)N~   12.439
744 NC1=NC(=NC=C1)N~    8.889
745 CC1=NC(=NN=C1)N~    5.785
749 NNC(=O)C1=CNC=N1~   14.190
750 NC1=C(N)C(=NC=N1)O~   16.421
751 NC1=CC(=NC(=N1)N)O~   12.870
752 NC1=C(N)C(=NC(=N1)S)O~   15.845
754 NC(=O)N[CH]1NC(=O)NC1=O~   17.467
755 CN1C=NC(=C1S(N)(=O)=O)[N+]([O-])=O~   10.606
756 CN(C(=O)C(=O)N(C)[N+]([O-])=O)[N+]([O-])=O~   11.548
757 CC([N+]([O-])=O)=[N+]([O-])C(C)([N+]([O-])=O)[N+]([O-])=O~   18.893
758 NC1=CC(=NC(=N1)S)N~   11.863
760 NC1=CC(=NC(=N1)N)S~    8.312
761 NC1=C(N)C(=NC=N1)S~   11.863
762 NC1=C(N)C(=NC(=N1)S)S~   11.286
769 OCCC#C~    6.108
770 C=C[CH]1CO1~    3.801
771 SC(=S)OCC=C~    4.590
773 OCC#CCO~    7.842
775 C1COC=CO1~    3.629
778 CC(=C)C(O)=O~    6.344
779 CC(=O)OC=C~    2.932
781 CC=CC(O)=O~    6.344
782 O=CCCC=O~    7.081
783 COC(=O)C=C~    4.034
786 C1O[CH]1[CH]2CO2~    6.084
788 OC(=O)CC=C~    6.143
789 CC(=O)SC(C)=O~    5.305
791 O=S1(=O)CC=CC1~    5.370
792 SC(=S)OCCOC(S)=S~    8.160
794 C[CH]1COC(=O)O1~    3.440
795 O[CH]1COC(=O)C1~    8.426
796 CC(=O)CC(O)=O~    9.433
797 CCOC(=O)C=O~    5.896
799 CC(=O)OOC(C)=O~    4.044
800 CCOC(=O)C(O)=O~    7.991
802 O=COCCOC=O~    5.983
803 COC(=O)C(=O)OC~    5.607
805 CC(C(O)=O)C(O)=O~   11.267
806 OC(=O)CCC(O)=O~   11.267
810 OC(=O)CSCC(O)=O~   13.362
813 OC(=O)[CH](S)[CH](S)C(O)=O~   14.167
815 OC(=O)COCC(O)=O~   11.622
817 O[CH](CC(O)=O)C(O)=O~   12.074
818 O[CH]([CH](O)C(O)=O)C(O)=O~    9.879
819 OC(=O)C(O)(O)C(O)(O)C(O)=O~   12.754
822 CCCC#N~    4.269
824 OCCCC#N~    8.706
825 COCCC#N~    6.323
827 CC(C)(O)C#N~    4.886
828 O=C1CCCN1~    7.842
829 CC=CC(N)=O~    8.034
831 CC(=C)C(N)=O~    8.034
833 CC1=NCCO1~    4.479
834 C[CH]1CNC(=S)O1~    5.836
835 N[CH]1CCSC1=O~    7.125
838 OCNC(=O)C=C~   11.025
839 CC(=O)C(C)=NO~    7.103
841 O=C1COCCN1~    9.047
845 OC(=O)[CH]1CSCN1~    8.265
846 NC(=S)SCCC(O)=O~    9.622
847 CN(CC(O)=O)C(S)=S~    7.240
848 C[CH](NC=O)C(O)=O~   11.179
850 CCOC(=O)NC=O~    6.432
855 CCOC(=O)C[N+]([O-])=O~    6.876
857 N=C1CCNC(=O)N1~   10.510
858 NC(=O)NCCC#N~   12.356
859 NC(=O)N(CC=C)N=O~    9.886
861 CN(C(N)=N)C(=O)C(O)=O~   17.135
864 CC1=CSC(=N)N1N~   10.168
866 NC1=CC(=NC(=N1)N)N~   12.340
867 NNC1=C(N)C=NC=N1~   14.818
868 NC1=NC(=C(N)C(=N1)O)N~   16.322
869 CC1=NNC(=N1)NC(N)=O~   13.201
870 NNC1=CC(=NC(=N1)N)O~   15.250
871 NC1=C(N)C(=NC(=N1)O)N~   19.873
872 CCOC(=O)NC1=NN=NN1~   11.483
873 CSC1=NC(=NC(=N1)N)N~    9.217
875 NNC1=C(C(=NC=N1)NN)[N+]([O-])=O~   16.921
878 NC(=O)NCC=C~    8.979
879 CC=CC(=O)NN~   10.413
880 O=NN1CCCC1~    5.796
881 O=C1NCCCN1~    8.987
882 O=C1CNCCN1~   10.312
883 C[CH]1CNC(=O)N1~    8.987
886 O=NN1CCOCC1~    7.851
887 ON=CCCC=NO~    9.206
888 CNC(=O)NC(C)=O~    9.625
889 NC(=O)CCC(N)=O~   11.447
891 O=CNCCNC=O~   10.491
892 CC(C(N)=O)C(N)=O~   11.447
893 OC1CNC(=O)NC1~   13.424
894 CC(=O)NNC(C)=O~    9.620
895 NC(=N)SCCC(O)=O~   13.622
896 NC(=O)CSSCC(N)=O~   13.354
897 CCOC(=O)NC(N)=O~    9.295
899 N[CH](CC(N)=O)C(O)=O~   15.644
900 NNC(=O)CCC(O)=O~   15.336
901 NCC(=O)NCC(O)=O~   14.126
902 NN(CC(O)=O)CC(O)=O~   14.815
904 CN(CCC(O)=O)[N+]([O-])=O~   10.502
906 NC(=O)OCCOC(N)=O~   10.350
907 NC(=O)[CH](O)[CH](O)C(N)=O~   10.060
908 NC(=S)NCC=C~    6.342
909 S=C1NCCCN1~    6.351
910 CSC1=NCCN1~    8.288
911 C[CH]1CNC(=S)N1~    6.351
912 CNC(=S)C(=S)NC~    8.688
913 CNC(=S)SC(=S)NC~    5.444
914 SC(=S)NCCNC(S)=S~    6.249
915 CNC(=S)SSSC(=S)NC~    5.067
916 CNC(=S)SSSSC(=S)NC~    4.879
918 CC(C)C1=NN=NN1~    5.924
920 CC1=NN=C(C)N1N~    8.597
921 O=NN1CCN(CC1)N=O~   10.474
923 CN1C=NC(=C1S(N)(=O)=O)N~   11.654
924 CS(=O)(=O)NC1=NCCN1[N+]([O-])=O~   11.234
925 CN1C(=N)NC(=N)NC1=N~   16.777
926 NNC1=NC(=NC=C1)NN~   13.646
929 CCOC=C~    2.119
930 CC=CCO~    5.057
931 C[CH](O)C=C~    5.128
932 CC[CH]1CO1~    3.674
933 C[CH]1O[CH]1C~    3.674
934 CC1(C)CO1~    3.674
935 CC(=C)CO~    5.057
937 C1CSCCO1~    5.269
942 CC(C)OC(S)=S~    4.462
944 OCC=CCO~    6.693
947 C[CH](O)CC=O~    8.360
949 CCCC(O)=O~    6.015
950 C1COCCO1~    5.228
951 CCC(=O)OC~    3.633
952 C[C]1(CO)CO1~    8.111
953 C[CH]1O[CH]1CO~    8.111
954 CC(=O)CCO~    8.618
958 O=S1(=O)CCCC1~    5.314
959 C[CH](O)CC(O)=O~   10.452
960 CC(C)(O)C(O)=O~    6.821
961 CC[CH](O)C(O)=O~    6.821
962 COCC(=O)OC~    4.839
963 CCOCC(O)=O~    7.220
964 CCOC(=O)CO~    4.440
966 OC[CH]1COCO1~    8.967
967 OC[CH]1O[CH]1CO~    9.548
968 CC(=C)CS(O)(=O)=O~    7.587
970 CC(=O)CS(C)(=O)=O~    8.377
971 O=S1(=O)CCOCC1~    7.369
972 C[CH]1COS(=O)(=O)C1~    5.504
973 C1CCSC1~    3.214
974 CC1CSSC1~    3.025
975 CCC(=S)SC~    3.052
976 C1CSCCS1~    5.309
977 NC1CCC1~    5.107
978 CC1(C)CN1~    4.889
979 CC[CH]1CN1~    4.889
980 CC(=C)CN~    4.807
981 CCC(C)=NO~    4.983
982 CCCC=NO~    4.983
983 CN(C)C(C)=O~    7.268
984 CCCNC=O~    7.227
985 CC(C)C(N)=O~    7.706
986 CCCC(N)=O~    7.706
987 CC(C)C=NO~    4.983
988 C1COCCN1~    6.943
989 NC[CH](O)C=C~    9.316
990 OCCN1CC1~    9.107
991 CC(=O)NCCS~    8.936
992 CC(C)(S)C(N)=O~    9.156
994 CC[CH](N)C(O)=O~    8.703
996 CC(C)(C)[N+]([O-])=O~    4.007
997 CC(C)C[N+]([O-])=O~    4.007
998 CCCOC(N)=O~    7.157
1000 CCCCON=O~    3.815
1003 CC(C)(N)C(O)=O~    8.703
1004 CCOCC(N)=O~    8.910
1005 COC(=O)CCN~    7.622
1007 NC(=O)CCCO~   12.142
1009 CNCC(=O)OC~    6.102
1010 COC(=O)[CH](C)N~    6.321
1015 N[CH]1CCS(=O)(=O)C1~    9.302
1016 N[CH](CCS)C(O)=O~   10.153
1017 CC[CH](CO)[N+]([O-])=O~    8.444
1018 OCCNC(=O)CO~    9.730
1020 C[C](N)(CO)C(O)=O~   13.140
1022 OCCNCC(O)=O~   12.921
1024 CC(C)(CO)[N+]([O-])=O~    8.444
1025 CC[CH](O)C[N+]([O-])=O~    8.444
1028 CCOC(=O)NCO~   10.075
1029 C[CH](O)[CH](C)[N+]([O-])=O~    8.444
1036 C[CH](O)[CH](N)C(O)=O~   13.140
1037 CC(CO)(CO)[N+]([O-])=O~    9.879
1041 CC[CH](CS(O)(=O)=O)[N+]([O-])=O~   10.775
1042 CCC(=N)SC~    4.382
1043 CCSC(C)=N~    4.382
1044 CSC(=S)N(C)C~    3.932
1046 CC(C)=NNC(N)=O~    8.764
1049 C[CH](O)[CH](C)N=[N+]=[N-]~    7.818
1050 O=NN1CCNCC1~    9.565
1051 CN(CC(O)=O)C(N)=N~   13.777
1052 CCCN(N=O)C(N)=O~    9.757
1054 NNC(=O)C[CH](N)C(O)=O~   18.024
1057 CCCN1N=NNC1=N~    9.804
1059 NC(=N)C(NC=O)C(N)=N~   18.249
1061 CCC=CC~    0.496
1062 C[CH](C#N)N(C)C~    7.697
1063 CN(C)CCC#N~    7.697
1064 CCN(CC)C#N~    3.550
1065 CNC[CH](C)C#N~    7.914
1066 C1CN1CN2CC2~    5.955
1068 CC1(C)CNC(=O)N1~    8.863
1070 CC(=O)NCNC(C)=O~    8.387
1072 CCOC(=O)NN=CC~    6.728
1073 OCCN1CCNC1=O~   13.082
1074 NC(=O)N1CCOCC1~   10.917
1075 CCC(=NO)C(C)=NO~    9.083
1076 NC(=O)CCCC(N)=O~   11.324
1078 CNC(=O)N(C)C(C)=O~    9.284
1080 CCOC(=O)N(CC)N=O~    7.724
1081 N[CH](CCC(N)=O)C(O)=O~   15.521
1082 N[CH](CSCC(N)=O)C(O)=O~   17.616
1083 CC(C)(C[N+]([O-])=O)C[N+]([O-])=O~    7.126
1084 CC(C)OC(=O)N(C)[N+]([O-])=O~    7.532
1085 CCOC(=O)N(CC)[N+]([O-])=O~    7.532
1087 CC(CCCO)([N+]([O-])=O)[N+]([O-])=O~   11.564
1089 CC(CCS(C)(=O)=O)([N+]([O-])=O)[N+]([O-])=O~   11.321
1090 CSC1=NCCCN1~    8.165
1091 CN1CSC(=S)N(C)C1~    2.547
1094 SC(=S)N1CCNCC1~    7.290
1095 CC(=NO)C(C)=NNC(N)=S~   10.226
1096 NNC(=O)CC(=C)C(=O)NN~   16.411
1098 CN(C)C1=NC(=NC(=N1)N)N~   11.070
1099 CC(C=NNC(N)=S)=NNC(N)=S~   11.370
1100 C[CH]1CCCO1~    3.951
1101 CCCC(C)=O~    4.059
1102 CCOC=CC~    1.924
1103 CCC(=O)CC~    4.059
1104 CC(C)C(C)=O~    4.059
1105 CC(C)(O)C=C~    5.005
1106 CC(C)(C)C=O~    3.799
1107 CCCCC=O~    3.799
1108 CCC[CH]1CO1~    3.551
1109 OC1CCCC1~    5.433
1111 CCSCCC=O~    5.893
1112 O[CH]1CCC[CH]1S~    6.883
1114 CCOC(=S)SCC~    4.983
1115 CC[CH](C)OC(S)=S~    4.338
1117 C1CSCSCCO1~    7.241
1118 C[CH]1CCOCO1~    4.406
1119 COCCOC=C~    4.050
1120 CC(C)[CH](O)C=O~    4.606
1122 CC(=O)C(C)(C)O~    4.866
1123 CC(C)COC=O~    3.250
1125 CC[CH](C)C(O)=O~    5.893
1126 CCCCC(O)=O~    5.893
1127 CC[CH](C)OC=O~    3.250
1128 CCOC(=O)CC~    3.510
1129 CC(C)OC(C)=O~    3.510
1130 CCCC(=O)OC~    3.510
1131 O[CH]1CCC[CH]1O~    6.870
1132 OC[CH]1CCCO1~    8.388
1134 COCCC(C)=O~    6.114
1135 OCCOCC=C~    7.260
1136 CC(=O)CCCO~    8.496
1137 CCOCCC=O~    5.854
1142 CCOC(=O)OCC~    2.963
1143 CCOC(=O)[CH](C)O~    4.317
1144 COC(=O)C(C)(C)O~    4.317
1145 CC[C](C)(O)C(O)=O~    6.699
1146 CC(C)OC(=O)CO~    4.317
1147 CCOCCC(O)=O~    7.947
1148 C[CH]1OC[CH](CO)O1~    8.842
1149 OCCC1OCCO1~    8.842
1150 C[CH](O)COC(C)=O~    7.947
1151 COC(OC)C(C)=O~    6.618
1152 CSCC[CH](O)C(O)=O~    8.793
1153 C[CH]1CCOS(=O)(=O)C1~    5.381
1154 CO[CH](C)[CH](O)C(O)=O~    8.754
1155 COC(OC)C(=O)OC~    6.070
1157 CS(=O)(=O)C1(CC1)S(C)(=O)=O~    9.386
1160 CCOC(=O)COS(C)(=O)=O~    7.045
1162 OC[CH](O)[CH](O)[CH](O)C(O)=O~   11.010
1163 C1CCSCC1~    3.091
1164 CC(C)(C)SC(S)=S~    4.379
1167 NC1CCCC1~    4.983
1168 CN(C)CC=C~    4.319
1170 CCCCNC=O~    7.104
1171 CC(C)CNC=O~    7.104
1172 CCN(CC)C=O~    6.886
1173 CC(C)(C)NC=O~    7.104
1174 CNC(=O)C(C)C~    7.364
1175 CN1CCOCC1~    6.602
1176 CC(C)(C)C(N)=O~    7.582
1177 C[CH]1CNCCO1~    6.821
1178 CC[CH](C)C(N)=O~    7.582
1179 CC(C)NC(C)=O~    7.364
1180 CCSCCC(N)=O~    9.678
1181 SCN1CCOCC1~    5.382
1182 CN(C)CCOC(S)=S~    7.889
1183 CCCCOC(N)=O~    7.033
1184 CCNC(=O)OCC~    6.815
1185 CC[C](C)(N)C(O)=O~    8.580
1186 CCCCC[N+]([O-])=O~    3.883
1187 CCC(=O)NCCO~   11.801
1188 COCCNC(C)=O~    9.418
1189 CC(C)CCON=O~    3.690
1190 CCC[CH](N)C(O)=O~    8.580
1192 C[CH](N)CCC(O)=O~    9.879
1193 CCNC(=O)[CH](C)O~    8.171
1194 CCOC(=O)N(C)C~    6.597
1195 CN(C)C[CH](O)C=O~    8.157
1196 CCNC[CH](O)C=O~    8.376
1197 CC(C)[CH](N)C(O)=O~    8.580
1198 CNCCCC(O)=O~    9.662
1200 OCN1CCOCC1~    9.738
1202 COC(=O)CN(C)C~    5.762
1203 CC(C)COC(N)=O~    7.033
1204 CC(C)(CN)C(O)=O~    9.879
1205 CCOC(=O)CNC~    5.979
1208 CCOC(=O)[CH](C)N~    6.198
1212 CC(C)(S)[CH](N)C(O)=O~   10.030
1214 CSCC[CH](N)C(O)=O~   10.676
1215 CCSC[CH](N)C(O)=O~   10.676
1216 COCC[CH](N)C(O)=O~   10.635
1219 C[CH](O)C(=O)NCCO~    9.607
1220 CCOC(=O)NCCO~   11.252
1221 CN(C)C[CH](O)C(O)=O~   10.250
1222 CCC[CH](O)C[N+]([O-])=O~    8.321
1223 CC[CH](O)[CH](C)[N+]([O-])=O~    8.321
1225 CC(C)[CH](O)C[N+]([O-])=O~    8.321
1227 N[CH](CCCO)C(O)=O~   13.017
1228 CC(C)[CH](ON)C(O)=O~    9.564
1230 CCOC(=O)[CH](N)CO~   10.635
1232 C[C](N)(CCO)C(O)=O~   13.017
1237 OC[CH](O)[CH](O)[CH](O)C=NO~   13.609
1243 C[N+](C)=C1SCCS1~   14.754
1245 CCN(CC)C(S)=S~    3.165
1246 CN(C)C1=NCCN1~    9.620
1250 CCCNC(=O)NC(N)=O~   12.106
1251 NC(=O)NN1CCOCC1~   13.298
1252 CCCCN(N=O)C(N)=O~    9.635
1257 CCC(C)=NNC(N)=S~    6.005
1258 CCCC=NNC(N)=S~    6.005
1259 CCN(CC)C1=NN=NN1~    7.767
1260 CCCCN1N=NNC1=N~    9.682
1261 CCNC1=NN=NN1CC~    7.750
1262 CC(=O)OCCN(N=O)C(=N)NN(O)O~   21.474
1263 C[CH]1CNCCN1~    8.535
1265 CN1CCNCC1~    8.316
1266 CCNC(=O)NCC~    8.509
1267 CCCCNC(N)=O~    8.728
1268 CC(C)(C)NC(N)=O~    8.728
1269 CC(C)CNC(N)=O~    8.728
1270 CC[CH](C)NC(N)=O~    8.728
1273 CN(C)CNC(C)=O~    8.415
1274 CC(C)NNC(C)=O~    9.742
1276 CN(C)C[CH](N)C(O)=O~   12.131
1278 CC(C)[CH](NN)C(O)=O~   10.959
1279 NCCC[CH](N)C(O)=O~   12.567
1280 CN(C)CCOC(N)=O~   10.583
1281 CC(C)(O)CNC(N)=O~   13.164
1283 CCNC(=S)NCC~    5.873
1284 CC[CH](C)SC(N)=N~    8.246
1286 C[CH](CNC(N)=O)NC(N)=O~   20.014
1287 OCCN1CCN=C1NN(O)O~   22.052
1288 CCOC(=O)CNC(=N)NN(O)O~   19.265
1289 CC(=O)OCCNC(=N)NN(O)O~   20.565
1290 NCCC(CCN)([N+]([O-])=O)[N+]([O-])=O~   15.102
1293 NC(=N)SCCCSC(N)=N~   15.851
1294 NC(=N)SCNC(=O)NCSC(N)=N~   18.380
1295 CC(C=NNC(N)=N)=NNC(N)=N~   19.029
1297 CCCCCO~    4.876
1298 CC(C)CCO~    4.876
1299 CC[CH](C)CO~    4.876
1300 CCC(O)CC~    4.876
1301 CCC(C)(C)O~    4.876
1303 CCC[CH](O)CO~    6.514
1304 CC(C)OCCO~    7.132
1305 CCOC[CH](C)O~    7.132
1306 C[CH](O)C(C)(C)O~    6.514
1307 OCCCCCO~    6.514
1309 CCOCOCC~    4.050
1310 C[CH](O)C[CH](C)O~    6.514
1311 OCCCSCCO~    8.609
1313 COCCOCCO~    9.187
1314 OCCC[CH](O)CO~    7.951
1318 CC(C)(C)CS(O)(=O)=O~    7.408
1319 CCCCOS(C)(=O)=O~    5.025
1320 OCC(CO)(CO)CO~    9.388
1321 CCCCCOS(O)(=O)=O~    7.597
1322 OCCCCCS(O)(=O)=O~   11.845
1326 OC[CH](O)[CH](O)[CH](O)CO~   10.824
1327 CS(=O)(=O)OCCCOS(C)(=O)=O~    9.410
1330 SCC(CS)(CS)CS~    6.440
1332 CCC(N)CC~    4.629
1333 CCC[CH](C)N~    4.629
1335 CC(C)CCN~    4.629
1336 CCCCNC~    4.410
1337 CCC[CH](O)CN~    9.066
1338 CC(C)NCCO~    8.848
1339 C[CH](N)CCCO~    9.066
1340 C[CH](O)CN(C)C~    8.629
1341 C[CH](N)C(C)(C)O~    9.066
1342 CCOCCCN~    6.682
1345 C[CH](CO)N(C)C~    8.629
1346 CC(C)CCNO~    7.327
1347 C[CH](O)CSCCN~   11.160
1350 CN(C)C[CH](O)CO~   10.065
1351 CCC(N)(CO)CO~   10.502
1353 C[N+](C)(C)CC(O)=O~   16.408
1354 CN(CCO)CCO~   10.065
1357 NC[CH](O)[CH](O)[CH](O)CO~   13.376
1358 CN(C)C(=N)N(C)C~    9.265
1361 CC(C)[CH](N)C(=O)NN~   12.650
1362 CCNC(=S)NN(C)C~    8.033
1363 CN(C)CCSC(N)=N~   11.796
1365 CC(C)ONC(=N)NC(N)=N~   15.747
1368 CCCCN(C(=N)NN(O)O)[N+]([O-])=O~   18.412
1369 CN(C)CCCN~    8.179
1371 CC(C)(CN)CN~    8.616
1373 CCCCNC(=N)NN(O)O~   17.697
1375 NNC(=N)SCCCSC(=N)NN~   20.609
1377 [O-][N+](=O)C1=CC=C(O1)C=O~    7.277
1378 OC(=O)C1=CC=C(S1)[N+]([O-])=O~    9.635
1379 OC(=O)C1=CC=C(O1)[N+]([O-])=O~    9.370
1382 OC1=NC(=C(C(=N1)O)[N+]([O-])=O)C(O)=O~   17.101
1383 OC(=O)C1=C([N+]#N)C(=NC(=N1)O)O~   19.181
1384 OC1=NC(=C2N=NC(=NC2=N1)S)O~   17.592
1385 OC1=NC2=NC(=NC(=C2N=N1)O)O~   22.150
1386 ON=CC1=C2N=NOC2=NC(=N1)O~   17.075
1388 OC1=C2N=C(NC2=NC=N1)[N+]#N~   14.670
1389 OC1=NC(=C2N=C(NC2=N1)[N+]#N)O~   18.652
1393 OC1=NC=NC(=C1)C=O~   12.121
1394 OC(=O)C1=CC(=NC(=N1)S)S~    9.078
1395 OC(=O)C1=C(S)N=C(S)N=C1~    9.078
1396 [O-][N+](=O)C1=CC=[N+]([O-])C=C1~   12.556
1399 NC(=O)N1C(=O)C=CC1=O~   13.415
1401 OC1=C(C=CC=N1)[N+]([O-])=O~    8.039
1402 OC(=O)C1=CC(=NC=N1)O~   14.214
1403 [O-][N+](=O)C1=CC=C(N1)C=O~   10.050
1405 OC(=O)C1=CC(=NC(=N1)O)S~   13.636
1408 NC(=O)C1=CC=C(O1)[N+]([O-])=O~   11.059
1409 OC(=O)C1=C(N=CN1)C(O)=O~   14.818
1410 OC(=O)C1=CC(=NC(=N1)O)O~   18.197
1412 OC(=O)C=C1NC(=O)NC1=O~   14.092
1413 OC1=C(C=[N+]([O-])C=C1)[N+]([O-])=O~   13.039
1414 N1C=NC2=C1N=CN=C2~    9.701
1415 C1=CN2N=NN=C2C=C1~    8.434
1417 OC1=C2N=CNC2=NC=N1~   13.684
1418 OC1=C2N=CNC2=CN=N1~   13.693
1419 O=C1NC2=CN=CN=C2N1~   12.564
1420 O=C1NNC2=C1N=CC=N2~   13.900
1423 OC1=NC(=C2N=CNC2=N1)S~   13.108
1424 OC1=C2NC(=S)NC2=NC=N1~   13.910
1425 SC1=C2NC(=O)NC2=NC=N1~   11.987
1426 SC1=NC=C2NC(=O)NC2=N1~   11.987
1427 OC1=C2N=CNC2=NC(=N1)S~   13.108
1430 SC1=NC(=C2NC(=O)NC2=N1)S~   11.410
1432 OC1=C2NC=NC2=C(O)N=N1~   17.676
1433 OC1=NC(=C2N=CNC2=N1)O~   17.668
1436 OC1=C2NC(=O)NC2=NC(=N1)S~   15.971
1437 OC1=NC(=C2NC(=S)NC2=N1)O~   17.893
1439 OC1=NC(=C2NC(=O)NC2=N1)O~   20.529
1440 OS(=O)(=O)C1=NC2=CN=CN=C2N1~   16.032
1442 OS(=O)(=O)C1=NC(=C2NC(=O)NC2=N1)S(O)(=O)=O~   22.045
1443 SC1=C2N=CNC2=NC=N1~    9.126
1444 SC1=C2C=NNC2=NC=N1~    9.133
1445 SC1=NC2=C(NC=N2)C=N1~    9.126
1446 S=C1NC2=CN=CN=C2N1~    9.928
1447 N1N=NN=C1C2=CC=CS2~    7.593
1448 SC1=NC(=C2C=NNC2=N1)S~    8.556
1450 SC1=C2NC=NC2=C(S)N=N1~    8.556
1451 SC1=C2NC(=S)NC2=NC=N1~    9.351
1452 SC1=NC=C2NC(=S)NC2=N1~    9.351
1454 SC1=NC(=C2NC(=S)NC2=N1)S~    8.775
1455 NC1=NC2=NC(=NC(=C2N=N1)O)O~   18.069
1457 NC1=NC(=C2N=C(NC2=N1)[N+]#N)O~   14.572
1459 O=CC1=CC=CO1~    4.873
1461 CC1=CC(=O)OC1=O~    5.210
1462 OC(=O)C1=CC=CO1~    6.967
1464 C=C1CC(=O)OC1=O~    5.009
1466 OC(=O)C1=CC=C(O1)S(O)(=O)=O~   13.297
1467 OC1=CC=NC=C1~    9.134
1468 OC1=CC=CC=N1~    9.134
1469 [O-][N+]1=CC=CC=C1~   10.152
1471 O=C1C=CNC=C1~    8.345
1475 NC(=O)C1=CC=CO1~    8.656
1476 OC1=CC(=NC=C1)O~   13.117
1477 CC1=CC(=O)NC1=O~    8.003
1478 OC(=O)C1=CC=CN1~    9.738
1479 ON=CC1=CC=CO1~    6.447
1480 OC1=C(O)N=CC=C1~   13.117
1481 OC(=O)CC1=CSC=N1~   10.503
1486 OS(=O)(=O)C1=CC=CN=C1~   11.483
1488 OS(=O)(=O)C1=CC=NC=C1~   11.483
1492 SC1=CC=CC=N1~    4.575
1493 NC(=O)C1=CC=CN=N1~   11.928
1494 NC(=O)C1=CN=CC=N1~   11.921
1496 NC1=C(C=CC=N1)[N+]([O-])=O~    9.668
1497 NC1=C(N=CC=N1)C(O)=O~   13.682
1499 NC1=CC=C(C=N1)[N+]([O-])=O~   11.007
1500 NC1=NC(=CC(=N1)S)C(O)=O~    9.556
1501 NC1=C(C=NC(=N1)O)C(O)=O~   17.666
1502 NC1=NC(=CC(=N1)O)C(O)=O~   14.116
1505 CC(=O)NC1=NC=C(S1)[N+]([O-])=O~   13.762
1506 CC1=NNC(=C1[N+]([O-])=O)C(O)=O~   12.489
1508 COC(=O)C1=C(NC=N1)[N+]([O-])=O~   10.020
1509 NNC(=O)C1=CC=C(O1)[N+]([O-])=O~   13.439
1510 CC1=C(C(=NC(=N1)O)O)[N+]([O-])=O~   12.362
1511 NC1=C(N=C(O)N=C1O)C(O)=O~   21.648
1513 NC1=C2C=NNC2=NC=N1~   13.161
1515 NC1=C2N=CNC2=NC=N1~   13.154
1516 NC1=NC2=C(NC=N2)C=N1~    9.604
1517 NC1=C2N=CNC2=CN=N1~   13.161
1518 NN1C=NC2=C1N=CN=C2~   12.569
1520 NC1=NC(=C2N=CNC2=N1)O~   13.587
1521 NC1=C2NC(=O)NC2=NC=N1~   16.015
1523 NC1=CC(=NC(=N1)NC#N)O~   11.886
1526 NC1=NC(=C2NC(=O)NC2=N1)O~   16.449
1527 OC1=NC(=C2NC(=N)NC2=N1)O~   21.721
1528 CC1=C(C(=NC(=N1)O)O)S(=O)(=O)N=[N+]=[N-]~   16.194
1531 NC1=C2NC(=S)NC2=NC=N1~   13.379
1533 CSC1=C2N=NNC2=NC=N1~   10.045
1535 NC1=NC(=C2NC(=S)NC2=N1)S~    9.253
1536 CSC1=NC(=N)C2=NSNC2=N1~   10.166
1538 NC1=CC=CC=N1~    8.604
1539 N#CCCCC#N~    7.652
1540 NC1=CC=CN=C1~    8.604
1541 NC1=CC=NC=C1~    8.604
1543 CC1=CN=CC=N1~    5.492
1547 CC1=CC(=NC=N1)O~    9.475
1548 NC1=C(O)C=CN=C1~   12.587
1551 CC1=C(O)N=C(S)N=C1~    8.900
1552 CC1=CC(=NC(=N1)S)O~    8.900
1553 O=C1CSC2=NCCN12~   11.256
1557 CSC1=CC(=NC=N1)O~    9.463
1558 CC(=O)NC1=NC=CS1~   11.358
1559 CC1=NNC(=C1)C(O)=O~   10.086
1560 CC1=NC(=CC(=N1)O)O~   13.457
1563 CC1=C(O)N=C(O)N=C1~   13.457
1564 CC1=CC(=NO1)C(N)=O~   10.590
1567 CC(=O)NC(=O)CC#N~   10.623
1568 CN1C=CC(=O)NC1=O~    9.721
1570 CC1=C(O)N=NC(=C1)O~   13.465
1571 CC(=O)N1CC(=O)NC1=S~    7.417
1573 COC(=O)C1=CNC(=N)S1~   10.810
1574 CSC1=NC(=CC(=N1)O)O~   13.446
1575 OCC1=C(O)N=C(O)N=C1~   17.893
1576 C[C]1(NC(=O)NC1=O)C=O~   11.717
1577 CCOC(=O)[CH](N=O)C#N~    8.231
1579 OCC1=NC(=CC(=N1)O)O~   17.893
1583 OC(=O)C[CH]1SC(=N)NC1=O~   16.588
1584 OC(=O)[CH]1CC(=O)NC(=S)N1~   13.134
1586 OC(=O)C[CH]1NC(=O)NC1=O~   13.810
1587 CS(=O)(=O)C1=CC(=NC(=N1)O)O~   15.545
1588 NC(=O)C1=CC=C(O1)S(N)(=O)=O~   12.762
1589 [O-][N+](=O)C1(CCC(=O)OC1)[N+]([O-])=O~   10.352
1590 CC1=C(S)N=C(S)N=C1~    4.339
1591 CC1=CC(=NC(=N1)S)S~    4.339
1592 CSC1=NC(=CC=N1)S~    4.903
1593 CSC1=NC(=CC(=N1)S)S~    4.327
1594 S=C1NCCNC(=S)SSC(=S)SS1~    7.587
1596 CN1C=NC(=C1C#N)N~    9.562
1597 CC1=C(C#N)C(=N)NN1~   11.178
1598 NC1=NC(=C(C=N1)C(O)=O)N~   13.585
1600 NC1=NC(=NC(=C1)C(O)=O)N~   13.585
1601 NNC1=CC=C(C=N1)[N+]([O-])=O~   13.386
1602 CSC1=NC(=C(N=O)C(=N1)O)N~   14.896
1603 NC(=O)NC1=NC(=NC(=C1)O)S~   16.369
1605 NC1=C(NC=O)C(=NC(=N1)S)O~   18.197
1606 CC1=NNC(=C1[N+]([O-])=O)C(N)=O~   14.180
1609 NNC(=O)C1=C(O)N=C(O)N=C1~   19.166
1610 NC1=NC(=C2N=CNC2=N1)N~   13.056
1611 NNC1=C2N=CNC2=NC=N1~   15.533
1612 NC1=NC(=C2C=NNC2=N1)N~   13.063
1614 NC1=C2NC(=N)NC2=NC=N1~   17.208
1615 CC1=NC2=C(N)N=NN=C2N1~   13.509
1617 CN1N=NC2=C(N)N=CN=C12~   12.223
1618 CNC1=C2N=NNC2=NC=N1~   13.210
1619 NNC1=NC(=C2N=CNC2=N1)O~   15.967
1620 NC1=NC(=C2NC(=N)NC2=N1)O~   17.642
1621 NC1=NC(=C2NC(=O)NC2=N1)N~   15.917
1624 NC1=NC=NC(=C1[N+]([O-])=O)NNC=O~   16.893
1626 NC1=NC(=C2NC(=N)NC2=N1)S~   13.082
1627 CSC1=C2N=NNC2=NC(=N1)N~    9.947
1629 CC1=CC=CO1~    2.227
1630 OCC=CC#C~    5.955
1631 SCC1=CC=CO1~    3.676
1635 OCC1=CC=CO1~    6.664
1636 C[CH]1OC(=O)C=C1~    4.194
1637 OC(=O)C=CC=C~    6.438
1638 O=C1CCC2OC12~    6.475
1639 O=C1CCCC(=O)O1~    4.680
1640 C[CH]1OC(=O)CC1=O~    6.434
1641 C[CH]1CC(=O)OC1=O~    4.680
1642 OC(=O)CC(=C)C(O)=O~   11.472
1643 COC(=O)C=CC(O)=O~    9.364
1644 CC(=CC(O)=O)C(O)=O~   11.674
1645 OC(=O)CSC(=S)SCC(O)=O~   15.527
1646 OC(=O)CCC(=O)C(O)=O~   13.668
1647 OC(=O)COC(=S)SCC(O)=O~   14.636
1648 CC=C(C)C#N~    3.471
1650 CCOC=CC#N~    4.770
1652 CC1=CC(=NO1)C~    4.161
1653 CC(=O)NCC#C~    8.271
1654 NCC1=CC=CO1~    6.215
1655 SC(=S)N1CCCC1=O~    6.474
1656 CC(=O)OCCC#N~    7.015
1658 CN1C(=O)CCC1=O~    7.255
1659 N[CH](CC#C)C(O)=O~    9.487
1660 OC(=O)[CH]1NCC=C1~    8.772
1661 CCOC(=O)CSC#N~    6.857
1662 CC(=O)OCCSC#N~    6.857
1663 CN1C(=O)CSCC1=O~    9.350
1664 CCOC(=O)CN=C=O~    4.234
1667 CC(=O)NC(=C)C(O)=O~   11.396
1668 COC(=O)C=CC(N)=O~   11.054
1670 OCN1C(=O)CCC1=O~   10.391
1671 CC1(C)OC(=O)NC1=O~    6.075
1672 OC(=O)[CH]1CCC(=O)N1~   11.672
1673 OC(=O)[CH]1CC(=O)CN1~   10.836
1675 COC(=O)C(C(=O)OC)[N+]([O-])=O~    9.622
1677 CC1=C(C)SC(=S)N1~    3.595
1679 NC1=NC(=CC=C1)N~   12.055
1680 CC1=NC(=NC=C1)N~    5.394
1681 CN(CC#N)CC#N~   11.201
1682 CC1=C(N)C=NC=N1~    8.943
1683 NC1=C(N)N=CC=C1~   12.055
1687 COC1=NC(=NC=C1)N~    5.706
1688 CC1=NC(=CC(=N1)O)N~   12.928
1690 CC1=CC(=NC(=N1)N)O~    9.377
1691 CN1C=CC(=N)NC1=O~    9.975
1692 CSC1=NC(=CC(=N1)O)N~   12.914
1693 CC(=O)NC1=NN=C(C)S1~   11.706
1694 CSC1=CC(=NC(=N1)N)O~    9.365
1695 CN1C(=CC(=O)NC1=S)N~   10.212
1696 CSC1=CC(=NC(=N1)O)N~   12.914
1697 CN1C(=CC(=O)NC1=O)N~   10.889
1698 NC1=C(CO)C=NC(=N1)O~   17.364
1699 CC(=O)NNC(=O)CC#N~   13.002
1702 N[CH](COC(=O)C=[N+]=[N-])C(O)=O~   10.488
1703 CC(CCC#N)([N+]([O-])=O)[N+]([O-])=O~   10.631
1705 CSC1=CC(=NC=N1)N~    8.932
1706 CSC1=NC(=NC=C1)N~    5.382
1708 NC1=NC(=NC(=N1)N)SCC(O)=O~   14.346
1709 [N-]=[N+]=NS(=O)(=O)CC[CH]1NC(=O)NC1=O~   11.730
1710 NC(=S)NNC1(O)C(=O)NC(=O)NC1=O~   18.848
1712 CN1C=NC(=C1S(=O)(=O)NC(N)=O)[N+]([O-])=O~   14.582
1713 NNC1=NC(=C2N=CNC2=N1)N~   15.434
1714 NNC1=C2N=CNC2=NC(=N1)N~   15.434
1715 C1CC=CC1~    1.302
1716 CC(=C)C=C~    0.914
1718 CC1=CC(=NN1)C~    5.347
1719 CC1=NC(=CN1)C~    5.340
1720 C[N+]1=CC=NC=C1~   10.206
1721 CN1C=NC(=C1)C~    4.054
1725 OCCN1C=CC=N1~    8.418
1727 CC1=NNC(=O)CC1~    7.635
1728 CC1(C)SC(=N)NC1=O~   11.337
1729 CC[CH]1SC(=N)NC1=O~   11.337
1731 NC(=O)[CH]1CCC(=O)N1~   10.161
1733 OC(=O)CNCCC#N~   11.866
1734 CNC(=O)OCCC#N~   10.320
1739 C[CH]1CNC(=O)NC1=O~    9.857
1740 N[CH](CSCC#N)C(O)=O~   14.180
1741 OC(=O)CSC1=NCCN1~   13.417
1744 NC(=O)N[CH](CC(O)=O)C(O)=O~   17.932
1745 CC(CCC=O)([N+]([O-])=O)[N+]([O-])=O~   10.285
1747 CC1(C)NC(=S)NC1=S~    6.421
1748 CCCSC1=NNC(=S)S1~    6.393
1750 CC1=C(C)N=C(N)N=N1~    5.742
1751 CC1=C(N)C=NC(=N1)N~    8.845
1752 CC1=CC(=NC(=N1)N)N~    8.845
1753 CN1C=NC(=C1C(N)=O)N~   13.936
1754 CN1C(=C(N)C(=O)NC1=S)N~   12.578
1755 CC(=O)N[CH](C#N)C(=O)NN~   15.690
1756 CNS(=O)(=O)C1=C(N=CN1C)[N+]([O-])=O~   10.264
1757 CC1=C(N)C(=NC(=N1)S)N~   11.818
1758 CSC1=CC(=NC(=N1)N)N~    8.833
1760 NC1=NC(=NC(=C1)N)CS~   13.845
1762 NNC(=O)C1=C(N=CN1)C(=O)NN~   19.757
1764 NNC1=NC(=C2N=CNC2=N1)NN~   17.812
1765 NNC1=NC2=C(NN)N=CN=C2N1~   21.364
1767 CC(=O)C1CC1~    4.415
1768 CC=C(C)C=O~    4.056
1769 O[CH]1CCC=C1~    5.489
1770 O=C1CCCC1~    4.415
1771 OCCCC#C~    5.983
1772 C=CCOC=C~    2.123
1773 COC=CC=C~    2.140
1774 C=COC1CC1~    2.352
1775 CC(=C)C(C)=O~    4.387
1776 C[C]1(CO1)C=C~    3.678
1777 O=C1CCSCC1~    6.510
1778 COC(=S)SCC=C~    5.111
1783 OC(=O)C1CCC1~    6.248
1785 CC1OC(=O)C1C~    3.866
1786 CCC(=O)OC=C~    2.810
1787 CC(=O)CC(C)=O~    7.478
1788 O=C1CCCCO1~    3.866
1789 C1OCC=CCO1~    4.461
1791 CCC(=O)C(C)=O~    6.582
1792 CC(=C)OC(C)=O~    2.738
1796 O=CCCCC=O~    6.959
1798 OC(=O)CCC=C~    6.020
1800 C[CH]1CCC(=O)O1~    3.866
1801 CC=C(C)C(O)=O~    6.149
1802 COC(=O)C=CC~    3.839
1803 C1O[CH]1C[CH]2CO2~    5.963
1804 C[C]1(CO1)[CH]2CO2~    5.963
1806 COC(=S)SCSC(=S)OC~    9.326
1808 CC(=O)CCC(O)=O~    9.311
1809 CC(=O)COC(C)=O~    6.078
1810 C=CCOCOC=O~    5.433
1812 CCOC(=O)C(C)=O~    6.033
1813 COC(=O)CCC(O)=O~    8.762
1817 CCOC(=O)CC(O)=O~    8.762
1818 OC[CH]1OC(=O)[CH](O)[CH]1O~    7.547
1819 O=S1OCC2(CO1)COS(=O)OC2~    8.701
1820 C1C[CH]2S[CH]2C1~    3.447
1821 CC(C)(C)C#N~    4.146
1824 ON=C1CCCC1~    5.218
1825 CN1CCCC1=O~    7.500
1826 CCOCCC#N~    6.201
1827 O=C1CCCCN1~    7.719
1830 CC(=NO)C1CC1~    5.218
1831 CN(C)C(=O)C=C~    7.547
1832 CC=C(C)C=NO~    4.845
1835 CC(N)=CC(C)=O~    8.055
1836 CC1(C)COC(=S)N1~    5.714
1837 C[CH]1SCCNC1=O~    9.815
1839 OCCN1CCSC1=S~    8.602
1840 CCSC(=S)NC(C)=O~    6.983
1841 CC(=C)C(=O)NCO~   10.830
1846 CCOC(=O)N1CC1~    6.951
1847 C[CH](OC(N)=O)C=C~    7.161
1849 OC(=O)[CH]1CCCN1~    8.717
1850 CN(C)C(=O)OC=C~    5.896
1851 CC1(C)COC(=O)N1~    7.171
1854 C[CH](OC(C)=O)C(N)=O~    9.602
1855 CCOC(=O)CNC=O~    8.674
1856 CC(CCC(O)=O)=NO~   10.114
1863 N[CH](CCC(O)=O)C(O)=O~   13.833
1864 CN(CC(O)=O)CC(O)=O~   12.095
1865 C[C](N)(CC(O)=O)C(O)=O~   13.833
1866 CN[CH](CC(O)=O)C(O)=O~   13.613
1868 C[CH]([CH](N)C(O)=O)C(O)=O~   13.833
1869 CC1(COCOC1)[N+]([O-])=O~    7.648
1870 N[CH](CSCC(O)=O)C(O)=O~   15.928
1871 N[CH](CS(=O)(=O)CC(O)=O)C(O)=O~   18.026
1872 CCCCSC#N~    3.987
1874 C[CH]1CN=C(C)S1~    4.396
1875 CC1(C)CNC(=S)S1~    4.384
1876 [N-]=[N+]=NC1CCCC1~    3.614
1877 NCCC1=CNC=N1~    9.247
1879 CC=CC=NNC(N)=O~    8.697
1880 CN(C)NC(=O)CC#N~   13.030
1881 CN1CCC(=N)NC1=O~   10.169
1882 NCCN1C(=O)CNC1=S~   11.652
1883 OC(=O)CNC1=NCCN1~   13.790
1887 NS(=O)(=O)CC[CH]1NC(=O)NC1=O~   13.100
1888 CCOC(=O)N(CC[N+]([O-])=O)N=O~   10.967
1889 CC(C)([N+]([O-])=O)C(C)([N+]([O-])=O)[N+]([O-])=O~   10.369
1890 CC=CC=NNC(N)=S~    6.061
1891 CC1(C)NC(=S)NC1=N~    7.752
1892 CCC=NC(=S)NC(N)=S~    5.089
1894 CN(N)C1=C(N)C=NC=N1~   13.506
1895 CC1=NC=NC(=C1N)NN~   14.775
1896 CN1CC(=O)NC(=N)NC1=N~   16.785
1898 CN1C=NC(=C1S(N)(=O)=O)NC(N)=O~   15.629
1899 CC(=C)C1CC1~    0.928
1900 CC(=C)C(C)=C~    0.719
1901 CCCCC#C~    1.425
1902 C1CC1C2CC2~    0.951
1905 N#CN1CCCCC1~    3.783
1907 C=CCNCCC#N~    7.921
1908 CC(C)=NOCCC#N~    5.860
1910 CC(=O)NC(C)(C)C#N~   10.745
1912 N#CCN1CCOCC1~    9.983
1913 C[CH]1CN=C(NC(C)=O)S1~   10.996
1914 CCN=C1SSC(=O)N1CC~    6.654
1915 CC[C]1(C)NC(=O)NC1=O~    8.435
1916 C[CH](CCCC#N)[N+]([O-])=O~    7.265
1918 OC1=C2CCCC[N+]2=NO1~   13.358
1919 C[C](O)(CCC(N)=O)C#N~   11.582
1920 C[CH]1NC(=O)[CH](C)NC1=O~    8.520
1921 CN1C(=O)NC(C)(C)C1=O~    8.217
1922 CC1(C)CC(=O)NC(=O)N1~    9.735
1923 C[CH]1CN(C)C(=O)NC1=O~    9.517
1926 OC(=O)[CH]1CCSCC(=N)N1~   12.212
1927 CC1(C)N(CO)C(=O)NC1=O~   11.354
1929 COC(=O)[CH](C)C(=O)NC(N)=O~   12.467
1930 C1CN=C(N1)C2=NCCN2~   11.376
1931 C1CCN2N=NN=C2CC1~    4.830
1933 CCOC1=CC(=NC(=N1)N)N~    9.033
1937 CC12NC(=O)NC1(C)NC(=O)N2~   15.165
1939 CN1C=NC(=C1S(N)(=O)=O)NC(C)=O~   14.143
1940 COC(=O)NN=CC=NNC(=O)OC~    9.495
1941 CN(C)S(=O)(=O)C1=C(N=CN1C)[N+]([O-])=O~    9.924
1942 NC(=O)NCOC(=S)SSSC(=S)OCNC(N)=O~   23.504
1944 NC(=O)NC(=O)OCCOC(=O)NC(N)=O~   20.780
1945 NC1=C(C=C(C=C1S(N)(=O)=O)S(N)(=O)=O)S(N)(=O)=O~   18.038
1946 CNC1=CC(=NC(=N1)N)SC~    8.492
1947 CSC1=NC(=C(N)C(=N1)N)SC~   12.329
1948 CN(C)C1=NC(=C(N=O)C(=N1)N)N~   12.668
1949 NC(=O)CCC1=NC(=NC(=N1)N)N~   15.924
1950 CN(C)N=NC1=C(NC=N1)C(N)=O~   15.812
1952 C1CC[CH]2O[CH]2C1~    3.783
1953 O=C1CCCCC1~    4.292
1955 C=CCOCC=C~    2.827
1956 CCC=C(C)C=O~    3.932
1959 C[CH]1CCC(=O)C1~    4.292
1960 CC[C](C)(O)C#C~    5.863
1961 CC(C)(O)CC#C~    5.863
1962 CC(C)=CC(C)=O~    4.192
1963 CCOC(=S)SCC=C~    4.987
1965 CC1(C)CCOC1=O~    3.742
1969 CCCC(=O)OC=C~    2.688
1970 CCC(=O)OCC=C~    3.514
1971 CC(=O)CCC(C)=O~    7.354
1972 CC(CC=O)CC=O~    6.836
1974 CC(C(C)=O)C(C)=O~    7.354
1975 C=CCOC[CH]1CO1~    5.611
1978 CCOC(=O)C(C)=C~    3.717
1979 CC[CH]1CCC(=O)O1~    3.742
1982 CC(C)C(=O)C(C)=O~    6.458
1983 C[CH]1CCOC(=O)C1~    3.742
1984 CC(C)OC(=O)C=C~    3.788
1985 CCCOC(=O)C=C~    3.788
1986 C[CH]1CCCC(=O)O1~    3.742
1987 CCOC(=O)CC=C~    3.514
1988 CO[CH]1CCC=CO1~    3.511
1989 C=CCOCCC=O~    5.860
1990 C(C[CH]1CO1)[CH]2CO2~    5.839
1991 C1C[CH]2CO[CH](C1)O2~    5.538
1992 C=CCS(=O)(=O)CC=C~    4.967
1994 C[CH](O)C(=O)OCC=C~    4.321
1995 CC(=O)CCCC(O)=O~    9.188
1997 COCC(=O)CC(C)=O~    8.559
2001 O[CH](CCCC=O)C=O~    7.642
2002 CCCCOC(=O)C=O~    5.650
2003 CC1(C)COC(=O)OC1~    3.194
2004 C[CH](CC(C)=O)C(O)=O~    9.188
2005 CC(C)(C)C(=O)C(O)=O~    8.292
2006 OC(=O)C[CH]1CCCO1~    9.079
2007 COCCOC(=O)C=C~    5.842
2008 CC(=C)C(=O)OCCO~    8.153
2009 COC(=O)CCC(C)=O~    6.804
2010 CCOC(=O)CC(C)=O~    6.804
2011 CO[CH]1O[CH](OC)C=C1~    6.393
2012 C[CH]1C[CH](O)CC(=O)O1~    8.180
2013 CC1(C)CS(=O)(=O)CC1=O~    8.487
2014 COC(=O)CCSC(C)=O~    6.706
2015 CC(C)OC(=S)SCC(O)=O~   10.112
2016 CCOC(=S)SCCC(O)=O~   10.112
2019 C1OC[CH](O1)[CH]2COCO2~    8.747
2020 OCCOC(=O)OCC=C~    7.403
2021 COC(=O)[CH](C)OC(C)=O~    5.407
2023 OC(=O)CCCCC(O)=O~   11.021
2026 CC(=O)OCCOC(C)=O~    6.256
2027 CC(CC(O)=O)CC(O)=O~   11.021
2030 CO[CH]1O[CH](CO)[CH]2O[CH]12~   12.530
2031 O[CH]1CO[CH]2[CH](O)CO[CH]12~   12.112
2033 COC(=O)C[CH](S)C(=O)OC~    7.706
2034 OC(=O)CCSCCC(O)=O~   13.116
2035 CCS[CH](CC(O)=O)C(O)=O~   13.116
2036 CC(=O)OCCS(=O)(=O)C=C~    7.257
2038 SCC(=O)OCCOC(=O)CS~    9.156
2040 COC(=O)O[CH](C)C(=O)OC~    4.857
2041 C[CH](O[CH](C)C(O)=O)C(O)=O~   11.376
2042 C[C]1(O)[CH](O)[CH](CO)OC1=O~    7.424
2044 OC[CH](O)[CH]1C[CH](O)C(=O)O1~    7.424
2045 O[CH]1[CH](O)[CH]2CO[CH](O2)[CH]1O~   12.848
2046 COC(=O)[CH](O)[CH](O)C(=O)OC~    4.870
2048 OC(=O)COCCOCC(O)=O~   13.431
2050 OC[CH](O)[CH]1OC(=O)[CH](O)[CH]1O~    8.860
2051 OC[CH]1OC(=O)[CH](O)[CH](O)[CH]1O~    8.860
2055 O[CH](C=O)[CH](O)[CH](O)[CH](O)C(O)=O~   10.416
2056 O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O~   16.979
2057 OCC(=O)[CH](O)[CH](O)[CH](O)C(O)=O~    7.045
2059 C=CCSCC=C~    2.870
2060 C1C[S+]2CC[S+]1CC2~    5.094
2064 CC(C)CCC#N~    4.023
2065 C=CCNCC=C~    4.542
2066 CCC[CH](C)C#N~    4.023
2067 CC(C)[C](C)(O)C#N~    4.640
2068 O=CN1CCCCC1~    7.119
2069 CCCOCCC#N~    6.077
2071 ON=C1CCCCC1~    5.094
2072 CC(C)NC(=O)C=C~    7.642
2073 NC(=O)C1CCCC1~    7.815
2074 CN(C)C(=O)C(C)=C~    7.351
2075 O=C1CCCCCN1~    7.597
2076 CC1(CCC1)C(N)=O~    7.815
2078 O[CH](CN1CC1)C=C~    8.987
2079 CC1(C)SCCNC1=O~    9.690
2080 C[CH]1CS[CH](C)C(=O)N1~    9.690
2081 CCOC(=O)NCC=C~    6.821
2083 CCOC(=O)C=C(C)N~    7.383
2084 CC(=O)N1CCOCC1~    9.433
2086 CN(C)CC(=C)C(O)=O~    9.650
2087 C[C]1(CCCN1)C(O)=O~    8.593
2088 C[CH]1CC[CH](N1)C(O)=O~    8.593
2089 OC(=O)[CH]1CCCCN1~    8.593
2090 CC(C)C(=NO)C(C)=O~    6.857
2091 CC(=C)C[CH](N)C(O)=O~    8.513
2092 CN(C)C(=O)OCC=C~    6.600
2094 COC(=O)N1CCCC1~    6.830
2095 NC1(CCCC1)C(O)=O~    8.812
2096 C[CH]1OC(C)(C)NC1=O~    7.500
2097 C[C](N)(C1CC1)C(O)=O~    8.812
2099 CN1CCC[CH]1C(O)=O~    8.376
2100 CCNC(=O)OCC=C~    6.821
2101 SC(=S)OCN1CCOCC1~    8.876
2102 CC(C)[CH](NC=O)C(O)=O~   10.932
2103 CCOC(=O)C(CC)=NO~    6.308
2104 CCCCOC(=O)C(N)=O~    9.433
2105 CCOC(=O)CN(C)C=O~    8.333
2106 CNC(=O)[CH](C)OC(C)=O~    9.260
2107 CCOC(=O)CC(C)=NO~    7.607
2108 CCCCC(=NO)C(O)=O~    8.690
2109 ONC1(CCCC1)C(O)=O~   11.511
2110 COC(=O)CCC(C)=NO~    7.607
2111 CC(=O)NCCCC(O)=O~   12.492
2114 CN1C[CH](O)C[CH]1C(O)=O~   12.812
2115 CN(C)C(=O)CCC(O)=O~   12.274
2117 CC(=O)N[CH]1CCS(=O)(=O)C1~   11.790
2120 CCOC(=O)C(C)(C)[N+]([O-])=O~    6.629
2122 C[C](N)(CCC(O)=O)C(O)=O~   13.708
2126 COC(=O)CC[CH](C)[N+]([O-])=O~    6.629
2127 CC[CH](CCC(O)=O)[N+]([O-])=O~    9.012
2128 CCOC(=O)N[CH](C)C(O)=O~   10.644
2129 CCOC(=O)NCCC(O)=O~   11.943
2130 CCOC(=O)CNC(=O)OC~    8.261
2131 C[CH](C[CH](N)C(O)=O)C(O)=O~   13.708
2132 C[CH](CC(O)=O)[CH](N)C(O)=O~   13.708
2135 CCC1(COCOC1)[N+]([O-])=O~    7.526
2136 CC(C)(CCC(O)=O)[N+]([O-])=O~    9.012
2137 N[CH](CSCCC(O)=O)C(O)=O~   15.804
2139 CC(C)COC(=O)CO[N+]([O-])=O~    5.959
2140 OCCN(CC(O)=O)CC(O)=O~   16.409
2141 CC(C)SCCC#N~    6.117
2142 S=C1CCCCCN1~    4.836
2144 CC1=NCC(C)(C)S1~    4.272
2145 CC(C)N1CCSC1=S~    4.042
2146 [N-]=[N+]=NC1CCCCC1~    3.491
2147 CC(C)NNC(=O)CC#N~   13.125
2149 CC(CCC(O)=O)=NNC(N)=O~   13.770
2151 NC(=S)NN=C1CCCC1~    6.238
2152 CC(C)CC1=NNC(=N)S1~    8.175
2153 SC(=S)NCCN1CCNC1=S~    8.629
2154 CNC1=NC(=NC(=N1)C)NC~    8.545
2157 CN(C)C1=NC(=CC(=N1)N)N~   10.686
2159 CCCOC1=NC(=NC(=N1)N)N~    9.293
2164 NCCCCCC#N~    8.011
2165 C1CN2CCCN2C1~    6.939
2166 CC(C)NCCC#N~    7.793
2168 CC1=NNC(C)(C)C1~    4.556
2170 CN1CCNC(=O)CC1~   11.147
2173 NNC(=O)C1CCCC1~   10.194
2174 NC(=S)CN1CCOCC1~   10.660
2175 COCSC1=NCCCN1~   10.096
2176 CC(=O)NCCNC(C)=O~   10.764
2178 CCOC(=O)NN=CCC~    6.606
2179 CC(CCC(C)=NO)=NO~    8.959
2180 NC(=O)CCCCC(N)=O~   11.201
2181 CCN(C)C(=O)NC(C)=O~    9.161
2182 COC(=O)N1CCNCC1~   10.599
2183 OCNC(=O)CCN1CC1~   14.284
2184 NC(=O)CCSCCC(N)=O~   13.296
2185 CS(=O)(=O)N=CN1CCCC1~    6.283
2187 OCCNC(=S)SSC(=S)NCCO~   10.883
2188 NNC(=O)CCCCC(O)=O~   15.090
2189 C[CH](O[CH](C)C(N)=O)C(N)=O~   11.556
2190 CNC(=O)CC[CH](N)C(O)=O~   15.180
2191 CCOC(=O)N(N=O)C(C)C~    7.600
2192 C[C](N)(CCC(N)=O)C(O)=O~   15.399
2193 CC(C)([N+]([O-])=O)C(C)(C)[N+]([O-])=O~    7.003
2195 OCCNC(=O)C(=O)NCCO~   15.742
2197 CCOC(=O)NNC(=O)OCC~    8.276
2199 CCN(C(=O)OC(C)C)[N+]([O-])=O~    7.408
2201 COC(=O)C[C](N)(O)CC(N)=O~   17.453
2202 N[CH](CSSC[CH](N)C(O)=O)C(O)=O~   18.303
2203 C[CH](O)CCC(C)([N+]([O-])=O)[N+]([O-])=O~   11.440
2205 NC(=O)OCCOCCOC(N)=O~   12.158
2207 OCCOC(=O)NNC(=O)OCCO~   14.150
2208 N[CH](CCS(=O)(=O)NCC(O)=O)C(O)=O~   16.733
2210 C[CH]1CN2SN1C[CH]2C~    5.845
2212 CN(C)CSC1=NCCS1~    7.248
2215 CN(C)C(=S)SC(=S)N(C)C~    4.759
2217 CN(CCN(C)C(S)=S)C(S)=S~    5.565
2218 CN(C)C(=S)SSC(=S)N(C)C~    4.572
2219 CN(C)C(=S)SSSC(=S)N(C)C~    4.383
2223 NNC(=O)[CH]1CCC(C1)=NN~   14.096
2225 NC(=N)SCC=CCSC(N)=N~   15.785
2226 NNC(=O)C1C(C1C(=O)NN)C(=O)NN~   25.635
2228 CCCCCC=O~    3.676
2230 CCC(CC)C=O~    3.676
2231 CCCCOC=C~    1.873
2234 CC[CH]1C[CH](C)O1~    3.827
2235 CCC[CH]1CCO1~    3.827
2236 CC(C)OC1CC1~    2.928
2237 CC1(O)CCCC1~    5.310
2238 CCCC[CH]1CO1~    3.428
2239 C[CH](O)C=C(C)C~    4.738
2240 CCC[CH](C)C=O~    3.676
2241 CS[CH]1CCC[CH]1O~    7.406
2243 CCC[CH]1OCCS1~    5.023
2245 CC(C)SC[CH]1CO1~    5.523
2246 CCCCCOC(S)=S~    4.215
2247 CC(C)(C)COC(S)=S~    4.215
2248 CC(C)CCOC(S)=S~    4.215
2249 CCCSC(=S)OCC~    4.860
2250 CCOC(=S)SC(C)C~    4.860
2251 CCOC(=S)SCCSC~    6.955
2254 CC(C)(C)COC=O~    3.127
2256 CC[CH](O)[CH](C)C=O~    8.114
2257 CC(C)CCC(O)=O~    5.770
2260 OC[CH]1CCCCO1~    8.265
2262 OC1CCC(O)CC1~    6.747
2263 CC(C)CCOC=O~    3.127
2264 CC[CH](C)OC(C)=O~    3.387
2265 CC(C)COC(C)=O~    3.387
2267 CCC[CH](C)C(O)=O~    5.770
2269 CCCC(=O)OCC~    3.387
2270 CC(=O)CC(C)(C)O~    8.373
2271 CCCCOC(C)=O~    3.387
2273 CCC(CC)C(O)=O~    5.770
2276 C[C]1(O)CCC[CH]1O~    6.747
2277 CC[CH](O)C(=O)CC~    4.742
2281 CC[C](C)(O)C(C)=O~    4.742
2282 O[CH]1CCCC[CH]1O~    6.747
2283 CCCCCC(O)=O~    5.770
2284 CC(C)OC[CH]1CO1~    5.483
2285 CCCSCCC(O)=O~    7.863
2286 CC(C)SCCC(O)=O~    7.863
2287 CCSCCOC(C)=O~    5.481
2288 CCSCCC(=O)OC~    5.481
2289 CCOC(OCC)C=O~    6.236
2290 COC[CH](C)OC(C)=O~    5.441
2291 CCOC(=O)C(C)(C)O~    4.194
2292 CO[CH]1CC[CH](OC)O1~    7.237
2294 OCCOCCOC=C~    8.365
2295 CCOCCOC(C)=O~    5.441
2297 O[CH]1CCC[CH](O)[CH]1O~    8.184
2298 CCCCOCC(O)=O~    6.975
2299 CCCC(=O)OCCO~    7.824
2300 COC(CC(C)=O)OC~    7.345
2302 OC1CC(O)CC(O)C1~    8.184
2303 OCCC1OCCCO1~    8.719
2304 COCCOC[CH]1CO1~    7.538
2305 OC[CH]1CC[CH](CO)O1~    9.701
2306 CCOC(=O)C[CH](C)O~    7.824
2310 CC1S(=O)C(C)S(=O)C(C)S1=O~   19.757
2311 CCOCCOC(=O)CO~    6.249
2312 CCO[CH](O)C(=O)OCC~    5.399
2314 CCC(=O)OC[CH](O)CO~    9.260
2315 CC(C)(CS(C)(=O)=O)C(O)=O~    9.963
2316 C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O~   12.575
2317 OC[CH]1OCO[CH](CO)[CH]1O~   11.593
2318 OC[CH]1OC[CH](O)[CH](O)[CH]1O~   12.575
2320 C[CH](O)[CH](O)[CH](O)[CH](O)C=O~    8.793
2321 C[CH](O)C(=O)OC[CH](O)CO~    7.068
2322 OC[CH](O)[CH](O)[CH](O)CC=O~   12.424
2323 OC[CH]1O[CH](O)C[CH](O)[CH]1O~   12.575
2324 CO[CH]1OC[CH](O)[CH](O)[CH]1O~   12.493
2328 OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O~   14.012
2329 OC[C]1(O)OC[CH](O)[CH](O)[CH]1O~   14.012
2330 OC[CH](O)[CH](O)[CH](O)CC(O)=O~   14.517
2332 OC[CH](O)[CH](O)[CH](O)[CH](O)C=O~   10.231
2333 OC1C(O)C(O)C(O)C(O)C1O~   12.495
2337 OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O~   12.324
2338 CS(=O)(=O)O[CH](C=O)[CH](O)[CH](O)CO~   14.521
2341 CC1(C)SSC(C)(C)SS1~    4.686
2342 C1CSSCCCSSC1~    4.686
2344 CN1CCCCC1~    4.424
2345 C1CCCNCC1~    4.642
2346 C[CH]1CCC[CH]1N~    4.860
2347 C[CH]1CCCCN1~    4.642
2348 C[CH]1CC[CH](C)N1~    4.642
2352 CCC(CC)C=NO~    4.738
2353 CC(C)(C)CC(N)=O~    7.460
2354 CCN1CCOCC1~    6.479
2355 CCCCCC(N)=O~    7.460
2356 C[CH]1CNC(C)(C)O1~    5.397
2358 CN(C)C[CH](O)C=C~    8.633
2359 CC(C)[CH](N)C(C)=O~    6.623
2361 N[CH]1CCCC[CH]1O~    9.298
2362 OCCN1CCCC1~    8.860
2363 CCCCNC(C)=O~    7.240
2364 CN(C)C(C)(C)C=O~    5.928
2365 C[CH]1COC[CH](C)N1~    6.697
2366 CC(C)CC(C)=NO~    4.738
2367 CCC(CC)C(N)=O~    7.460
2368 C[CH](O)[CH](C)N1CC1~    8.860
2369 CC[CH](O)CN1CC1~    8.860
2370 CCC[CH](C)C(N)=O~    7.460
2371 CN1CCC[CH]1CO~    8.860
2373 OCCN1CCOCC1~   10.917
2374 CCCCOC(=O)NC~    6.693
2375 CC(C)C(=O)NCCO~   11.678
2379 CCCC[CH](N)C(O)=O~    8.457
2380 CC(C)NC(=O)[CH](C)O~    8.048
2381 CC[CH](N)CCC(O)=O~    9.757
2383 CC(C)(N)CCC(O)=O~    9.757
2386 CCC(N)(CC)C(O)=O~    8.457
2387 CC(C)[C](C)(N)C(O)=O~    8.457
2389 CCCCOC(=O)CN~    6.075
2390 NCCCCCC(O)=O~    9.757
2391 CCC[CH](C)OC(N)=O~    6.910
2392 CCC(O)(CC)C(N)=O~    8.266
2395 CC(C)OC(=O)N(C)C~    6.474
2396 COC(=O)[CH](N)C(C)C~    6.075
2397 C[N+]1(C)CCOC(=O)C1~   14.258
2398 N[CH]1CC[CH](O)[CH](O)C1~   10.735
2399 CCCNC(=O)OCC~    6.693
2400 CCOC(=O)CCCN~    7.375
2401 CN(C)CCCC(O)=O~    9.320
2403 CC[CH](C)[CH](N)C(O)=O~    8.457
2405 CCCCNCC(O)=O~    8.239
2408 CC(C)SC[CH](N)C(O)=O~   10.551
2409 CC[CH](O)[CH](CC)[N+]([O-])=O~    8.197
2410 C[CH](O)CNC(=O)[CH](C)O~    9.484
2412 CCC[CH](O)[CH](C)[N+]([O-])=O~    8.197
2413 CC(C)[CH](O)[CH](C)[N+]([O-])=O~    8.197
2415 CC(C)(CCCO)[N+]([O-])=O~    8.197
2416 N[CH](CCCCO)C(O)=O~   12.893
2417 CN(C)C[CH](O)CC(O)=O~   13.757
2418 CCOC(=O)C[CH](O)CN~   11.812
2419 CC(C)OC(=O)NCCO~   11.129
2420 COC(C)(C)[CH](N)C(O)=O~   10.511
2422 OS(=O)(=O)NC1CCCCC1~    7.770
2424 OCCN(CCO)CC(O)=O~   13.893
2425 N[CH](C=O)[CH](O)[CH](O)[CH](O)CO~   15.112
2426 C[CH](O)[CH](O)[CH](O)[CH](O)C(N)=O~   12.577
2430 NC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O~   16.564
2432 NC(=O)[CH](O)[CH](O)[CH](O)[CH](O)CO~   14.014
2435 N[CH]([CH](O)[CH](O)[CH](O)CO)C(O)=O~   17.205
2437 OC[CH](O)[CH](O)[CH](O)[CH](O)C[N+]([O-])=O~   13.943
2438 CS[CH]1CCC[CH]1N~    6.955
2439 NCC[CH]1CCCS1~    6.955
2441 C[CH]1N[CH](C)S[CH](C)S1~    3.492
2442 CN(C)NC(C)(C)C#N~    9.951
2443 CCC(CC)=NNC(N)=O~    8.519
2445 CN1CCN(CC1)C(N)=O~   12.292
2446 NNC(=O)C1(N)CCCC1~   12.883
2448 CN(C)CC(C(N)=O)C(N)=O~   14.752
2449 NC(=O)NCN1CCOCC1~   12.065
2452 NC(=N)NCCC[CH](O)C(O)=O~   15.857
2453 N[CH](CCCNC(N)=O)C(O)=O~   16.544
2454 NC(=S)NN=C[CH](O)[CH](O)[CH](O)CO~   14.629
2455 CC(C)C(C)=NNC(N)=S~    5.883
2456 CN(C)NC(=S)NCC=C~    8.038
2458 NC(=N)NC(=N)N1CCOCC1~   17.281
2459 N[CH](CCCN(C(N)=N)[N+]([O-])=O)C(O)=O~   18.453
2461 CN(N)C1=C(N)C(=NC=N1)N(C)N~   18.025
2462 CC(C)C(C)C~   -0.233
2465 CC(=C)CNCCN~    8.331
2468 CN1CCCNCC1~    8.193
2470 CN1CCN(C)CC1~    7.975
2471 C[N+](C)(C)CCC#N~   15.839
2472 C[CH]1CNC[CH](C)N1~    8.411
2473 CCCN(CCC)N=O~    5.194
2474 CCCCN(CC)N=O~    5.194
2475 CC(C)N(N=O)C(C)C~    5.194
2476 CCC(C)(C)NC(N)=O~    8.604
2477 NCCN1CCOCC1~   10.466
2478 NCCCCCC(N)=O~   11.447
2479 CN(C)CCNC(C)=O~   10.790
2481 CCC[CH](C)NC(N)=O~    8.604
2482 OCCN1CCNCC1~   12.631
2485 CC(=O)NCCNCCO~   15.447
2488 CC(C)C[CH](N)C(=O)NO~   12.845
2489 CN(C)C[CH](O)CC(N)=O~   15.447
2490 NCCCC[CH](N)C(O)=O~   12.445
2491 CN(C)S(=O)(=O)N1CCOCC1~    8.293
2492 CS(=O)(=O)N1CCN(CC1)S(C)(=O)=O~    9.084
2495 OS(=O)(=O)CN1CCN(CC1)CS(O)(=O)=O~   16.169
2497 CC(C)CCSC(N)=N~    8.123
2504 NNC(=O)CCSCCC(=O)NN~   18.054
2505 C[CH](S[CH](C)C(=O)NN)C(=O)NN~   18.054
2506 ONC(=N)CCSCCC(=N)NO~   19.030
2507 CC(=O)OCCCNC(=N)NN(O)O~   20.442
2509 CS(=O)(=O)N(CCCCN(N=O)S(C)(=O)=O)N=O~   10.979
2510 NC(=N)SCCCCSC(N)=N~   15.728
2512 C[CH](O)C(C)(C)C~    4.754
2514 CC(C)C(C)(C)O~    4.754
2515 CCCC[CH](C)O~    4.754
2516 CCC[CH](C)CO~    4.754
2517 CCCC(C)(C)O~    4.754
2518 CCC(CC)CO~    4.754
2519 CCCCCCO~    4.754
2520 CC(C)C[CH](C)O~    4.754
2521 CC[CH](C)CCO~    4.754
2522 CCC(C)(C)CO~    4.754
2523 CC(C)(C)SCCO~    7.050
2524 CCCCSCCO~    7.050
2525 OCCCCCCO~    6.391
2526 CC[CH](O)[CH](C)CO~    6.391
2527 CC(C)OC[CH](C)O~    7.009
2528 C[CH](O)CC[CH](C)O~    6.391
2529 CC(CCO)CCO~    6.391
2530 CCOC(C)OCC~    3.928
2531 C[CH](O)CC(C)(C)O~    6.391
2534 C[CH](O)C(C)(C)CO~    6.391
2535 CCC(C)(CO)CO~    6.391
2536 CCCS(=O)(=O)CCC~    4.712
2537 C[CH](O)CSC[CH](C)O~    8.487
2538 OCCCSCCCO~    8.487
2539 CCC(CO)(CO)CO~    7.830
2541 CCOC(CO)OCC~    8.364
2544 CCCCCOS(C)(=O)=O~    4.903
2545 CCOCCCCS(O)(=O)=O~    9.339
2546 C[CH](O)CC(C)(C)S(O)(=O)=O~   11.721
2547 CCCC(S(C)(=O)=O)S(C)(=O)=O~    8.907
2550 C[CH](O)[CH](O)[CH](O)[CH](O)CO~   10.701
2552 CS(=O)(=O)CCOCCS(C)(=O)=O~   10.963
2555 OC[CH](O)[CH](O)[CH](O)[CH](O)CO~   12.139
2557 COS(=O)(=O)CCCCS(=O)(=O)OC~    9.287
2560 CS(=O)(=O)OC[CH](O)[CH](O)COS(C)(=O)=O~   15.161
2561 CCCCSCC~    2.613
2562 CC[S+](CC)CC~    2.450
2563 CCSCCSCC~    4.708
2564 SCCCCCCS~    3.418
2565 CSC(SC)C(SC)SC~    8.896
2566 CSSC(SSC)C(SSC)SSC~    8.143
2567 CC(C)CCCN~    4.506
2569 CCCCCCN~    4.506
2570 CCCC[CH](C)N~    4.506
2572 CC(C)NC(C)C~    4.287
2573 CCN(CC)CC~    4.069
2576 CC(C)C[CH](C)N~    4.506
2580 CCN(CC)CCO~    8.506
2581 CC[CH](O)CN(C)C~    8.506
2582 CCC[CH](O)[CH](C)N~    8.943
2584 CC[CH](O)C(C)(C)N~    8.943
2588 CCN(C)C[CH](C)O~    8.506
2589 CC[CH](CN)CCO~    8.943
2590 CC(C)CNCCO~    8.724
2591 CCN[CH](C)[CH](C)O~    8.724
2592 CCCCOCCN~    6.561
2594 C[CH](O)CC(C)(C)N~    8.943
2595 CN(C)C(C)(C)CO~    8.506
2596 CC[CH](CO)N(C)C~    8.506
2597 CN(C)CCOCCO~   10.559
2598 C[CH](O)CNC[CH](C)O~   10.161
2599 CN(C)C(C)(CO)CO~    9.943
2600 CCOC(CN)OCC~    7.914
2601 CN(C)C[CH](O)CCO~    9.943
2602 CN(C)C(CO)(CO)CO~   11.379
2603 OCCN(CCO)CCO~   11.379
2604 NCCOCCOCCO~   13.052
2607 CCN(CC)CCS~    5.519
2608 NCCN1CCNCC1~   12.181
2609 CN(C)CCCC(=O)NN~   13.389
2610 CC(C)C[CH](N)C(=O)NN~   12.526
2611 CCCCCN(N=O)C(=N)NN(O)O~   18.480
2612 ON(O)NC(=N)N(CCN1CCN=C1NN(O)O)N=O~   35.455
2613 CC(C)NCCCN~    8.274
2615 CN(C)CC(C)(C)N~    8.056
2617 CN(C)CCN(C)C~    7.620
2618 C[CH](N)CC(C)(C)N~    8.493
2619 CC(C)(N)CNCCO~   12.712
2620 OCCNCCNCCO~   13.928
2622 NCCN(CCO)CCO~   13.928
2623 C[N+](C)(C)CCOC(N)=O~   18.726
2624 C[CH](O)CN(N)C[CH](C)O~   12.539
2625 CN(C)N(CCO)CCO~   12.103
2626 C[CH](CO)NN[CH](C)CO~   12.539
2628 CN(C)CSCN(C)C~    4.374
2629 CCCCCNC(=N)NN(O)O~   17.573
2630 NNC(=N)SCCCCSC(=N)NN~   20.487
2632 N#CC1=CC=CN=C1~    7.167
2633 O=NC1=CC=C(C=C1)N=O~    6.229
2634 [O-][N+]1=C2C=CC=CC2=NO1~    9.733
2635 O=C1C=CC(=O)N1CSC#N~    8.412
2637 OC1=CC=C(N=O)C(=C1N=O)O~   14.194
2638 OC(=O)C1=C(N=CC=N1)C(O)=O~   14.928
2639 [O-][N+](=O)C1=CC=C(C=C1)[N+]([O-])=O~    7.076
2641 OC(=O)C1=CC(=NC=N1)C(O)=O~   14.928
2643 OC1=C(C=CC=C1[N+]([O-])=O)[N+]([O-])=O~    7.559
2647 OS(=O)(=O)C1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~   13.407
2649 S1N=C2C=CC=CC2=N1~    4.714
2650 OC1=C2N=CC=NC2=NC(=N1)S~   13.218
2651 OC1=C2C=NC(=NC2=NC(=N1)S)S~   12.642
2653 [O-][N+](=O)C1=C(C=CC=C1)N=[N+]=[N-]~    6.754
2654 OC1=NC(=C2N=CC=NC2=N1)O~   17.777
2655 [O-][N+](=O)C1=C2N=NNC2=CC=C1~    9.237
2656 OC1=CC(=C(C=N1)C(=O)N=[N+]=[N-])O~   15.034
2657 OC1=NC(=C2N=C(O)N=C(O)C2=N1)O~   25.742
2658 OC1=NC(=C2N=C(O)C(=NC2=N1)O)O~   25.742
2659 NC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O~    9.162
2660 SC1=C2C=NC=NC2=NC=N1~    9.235
2661 O=C1C=CC(=O)C=C1~    8.914
2664 OC(=O)C1=CC=CC(=O)O1~    7.991
2665 OC(=O)CC1=CC(=O)OC1=O~   10.339
2669 O=CC1=CC=CN=C1~    7.754
2670 O=CC1=CC=NC=C1~    7.754
2674 OC1=CC=C(C=C1)N=O~    8.231
2675 [O-][N+](=O)C1=CC=CC=C1~    4.672
2677 OC(=O)C1=CC=CN=C1~    9.848
2678 ON=C1C=CC(=O)C=C1~    9.170
2679 [O-][N+](=O)C=CC1=CC=CS1~    5.724
2680 OC1=CC=C(C=C1)[N+]([O-])=O~    8.656
2681 OC1=CC=CC(=C1)[N+]([O-])=O~    8.656
2682 OC1=C(C=CC=C1)[N+]([O-])=O~    5.156
2684 [O-][N+](=O)C=CC1=CC=CO1~    5.460
2686 OC(=O)C1=CC=CC=[N+]1[O-]~   14.848
2687 OC(=O)C1=CC=C(O)N=C1~   13.830
2688 OC(=O)C(=O)C1=CC=CN1~   12.138
2689 OC1=C(C(=CC=C1)O)[N+]([O-])=O~    5.638
2693 OC(=O)C1=C(O)C=C(O)N=C1~   14.714
2694 CC(=O)C1=CC=C(O1)[N+]([O-])=O~    7.413
2695 OC(=O)C1=CC(=NC(=C1)O)O~   17.812
2696 OC(=O)CC1=CC=C(O1)[N+]([O-])=O~    9.759
2698 OS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O~   11.003
2699 OS(=O)(=O)C1=CC=CC(=C1)[N+]([O-])=O~   11.003
2700 OS(=O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O~   10.924
2702 OC1=CC=C(C=C1[N+]([O-])=O)S(O)(=O)=O~   11.485
2703 C1=CN2N=NC=C2C=C1~    8.044
2705 N1N=NC2=CC=CC=C12~    6.833
2706 OC1=CC2=C(NN=N2)C=C1~   10.815
2709 CC1=CC(=C(N=O)N=C1)N=O~    9.070
2710 OC1=NC(=C2N=CNC2=C1)O~   17.284
2711 CN1C=C(C#N)C(=O)NC1=O~   12.373
2712 OC1=NC(=C2NC(=O)NC2=C1)O~   20.146
2713 NC1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O~   10.529
2714 NC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O~    9.188
2715 NC1=CC=CC(=C1[N+]([O-])=O)[N+]([O-])=O~    9.188
2717 NC1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O~   11.011
2719 NC1=C(C=C(C=C1S(O)(=O)=O)[N+]([O-])=O)[N+]([O-])=O~   15.519
2722 NC1=NC(=C2N=CC=NC2=N1)O~   13.697
2723 NN1C=NC2=C(N=CC=N2)C1=O~   15.082
2724 CC1=CN2N=NN=C2C(=C1)[N+]([O-])=O~   10.796
2725 NC1=NC(=C2N=C(O)C=NC2=N1)O~   17.678
2726 OC1=NC(=C(C=N1)C(=O)CN=[N+]=[N-])O~   14.458
2727 NC1=C(C(=C(C=C1[N+]([O-])=O)[N+]([O-])=O)N)[N+]([O-])=O~   12.614
2728 N=C1NN2C=NN=C2C3=C1N=CN3~   14.572
2729 N#CCC=CCC#N~    7.583
2732 CCOC=C(C#N)C#N~    7.423
2733 O=C1CCN2C=CSC2=N1~   10.488
2734 NC(=S)C1=CC=[N+]([O-])C=C1~   14.290
2735 NC1=CC=C(C=N1)C(O)=O~   13.299
2736 NC1=C(C=CC=N1)C(O)=O~   13.299
2742 CC(=O)OC(C)(C#N)C#N~    6.577
2743 ON(N=O)C1=CC=CC=C1~    8.357
2744 NC1=CC(=CC=C1)[N+]([O-])=O~    8.124
2745 NC1=C(C=CC=C1)[N+]([O-])=O~    6.785
2746 NC1=CC=C(C=C1)[N+]([O-])=O~    8.124
2747 ONC(=O)C1=CC=NC=C1~   14.236
2748 ONC(=O)C1=CC=CN=C1~   14.236
2749 ON=C1C=CC(C=C1)=NO~    9.427
2750 NC(=O)C1=CC=[N+]([O-])C=C1~   16.538
2751 NC(=O)C1=CC=CC=[N+]1[O-]~   16.538
2752 COC(=O)C1=CN=CC=N1~    7.726
2753 CC(=O)C1=CC(=NC(=N1)S)O~   11.680
2754 CSC1=NC(=CC(=N1)C(O)=O)S~    9.600
2755 SC(=S)OCSC1=NN=C(SCOC(S)=S)S1~   16.028
2756 NC1=CC(=CC=C1O)[N+]([O-])=O~   12.107
2757 COC1=CC=C(C=N1)[N+]([O-])=O~    7.824
2758 NC1=C(O)C=C(C=C1)[N+]([O-])=O~   12.107
2759 NC(=O)NC(=O)C1=CC=CO1~   10.672
2760 CC(=O)C1=CC(=CN1)[N+]([O-])=O~   10.186
2761 NC(=O)C1=C(O)C=C(O)N=C1~   16.403
2764 NC1=NC(=CC(=C1)C(O)=O)O~   17.282
2766 CSC1=NC(=CC(=N1)C(O)=O)O~   14.159
2767 COC(=O)C1=CC(=NC(=N1)S)O~   11.132
2768 CSC1=NC(=NC(=C1)C(O)=O)O~   14.159
2769 CN1C(=O)N(C)C(=O)C(=O)C1=O~   13.879
2770 OC(=O)CC1=CC(=NC(=N1)O)O~   18.587
2771 OC(=O)CN1NC(=O)C=CC1=O~   14.064
2772 ON=C1CCC(=O)C(=NO)C1=O~   13.551
2775 COC(=O)C1=CC(=NC(=N1)O)O~   15.690
2776 NS(=O)(=O)C1=C(C=CC=C1)[N+]([O-])=O~    8.777
2778 NC1=C(C=C(C=C1)[N+]([O-])=O)S(O)(=O)=O~   14.455
2779 NC1=C(C=CC(=C1)[N+]([O-])=O)S(O)(=O)=O~   14.455
2780 NC1=CC(=C(C=C1)S(O)(=O)=O)[N+]([O-])=O~   14.455
2782 NC1=CC(=CC(=C1O)S(O)(=O)=O)[N+]([O-])=O~   18.438
2783 NC(=S)C1=CC=CC=N1~    9.290
2784 NC(=S)C1=CC=NC=C1~    9.290
2785 NC(=S)C1=CC=CN=C1~    9.290
2786 CSC(C#N)=C(SC)C#N~    9.408
2787 CC1=NC(=C(C=N1)C#N)N~   10.959
2788 CN1N=CC2=C1N=CN=C2~    8.380
2790 CC1=NC2=C(NC=N2)C=N1~    9.660
2791 N=C1NNC2=C1C=CC=N2~   12.600
2792 CN1N=CC2=C(O)N=CN=C12~   12.364
2793 CN1C=NC2=C(O)N=CN=C12~   12.356
2795 CC1=NNC2=C1N=CN=C2O~   13.650
2796 CC1=NC2=NN=CN2C(=C1)O~   12.360
2797 CN1C=NC2=NC=NC(=C12)O~   12.356
2798 CC1=NC2=C(O)N=CN=C2N1~   13.642
2800 CC1=NC2=NC=NN2C(=C1)O~   12.360
2801 OCC1=NC2=CN=CN=C2N1~   14.096
2802 CSC1=NC(=C2C=NNC2=N1)O~   13.638
2804 CN1C=NC2=NC(=NC(=C12)O)S~   11.780
2805 CSC1=NC(=C2N=CNC2=N1)O~   13.631
2806 CN1N=CC2=C(S)N=C(O)N=C12~   11.788
2807 CSC1=NC2=C(O)N=CN=C2N1~   15.220
2809 CN1C=NC2=C(S)N=C(O)N=C12~   11.780
2810 CC1=NC(=C2NC(=S)NC2=N1)O~   13.866
2811 CC1=NC2=C(O)N=C(S)N=C2N1~   13.066
2812 CSC1=NC(=C2NC(=O)NC2=N1)S~   11.932
2813 CSC1=NC2=C(S)N=C(O)N=C2N1~   14.644
2816 CN1C=NC2=NC(=NC(=C12)O)O~   16.338
2818 CC1=NC2=C(O)N=C(O)N=C2N1~   17.625
2819 CC1=NC(=C2NC(=O)NC2=N1)O~   16.503
2820 NC(=O)C1=CC(=NC=N1)C(N)=O~   15.107
2821 CN1N=CC2=C(O)N=C(O)N=C12~   16.346
2822 CN1C(=S)NC2=C1C(=NN=C2O)O~   16.588
2823 CSC1=NC(=C2NC(=O)NC2=N1)O~   16.492
2825 CS(=O)(=O)C1=C2N=CNC2=NC=N1~   11.747
2826 CS(=O)(=O)C1=NC2=CN=CN=C2N1~   13.337
2827 NC(=S)NN=CC1=CC=C(S1)[N+]([O-])=O~   10.136
2828 CS(=O)(=O)C1=NC2=C(S)N=CN=C2N1~   12.762
2829 OC(=O)CN(N=O)C1=NC=CC=N1~    8.860
2832 CS(=O)(=O)C1=NC(=C2N=CNC2=N1)O~   15.730
2835 NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~   11.567
2836 NC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O~   12.509
2837 CS(=O)(=O)C1=NC(=C2NC(=O)NC2=N1)O~   18.592
2838 NC(=S)NNC(=O)C1=CC=C(O1)[N+]([O-])=O~   14.777
2841 CC1=NNC2=C1N=CN=C2S~    9.090
2844 CN1C=NC2=C(S)N=CN=C12~    7.796
2846 CSC1=C2N=CNC2=NC=N1~    9.648
2847 CC1=NC2=C(S)N=CN=C2N1~    9.082
2849 CSC1=NC2=C(NC=N2)C=N1~    9.648
2851 CN1C=NC2=NC(=NC(=C12)S)S~    7.220
2852 CC1=NC(=C2NC(=S)NC2=N1)S~    9.308
2853 CSC1=NC2=C(S)N=CN=C2N1~   10.662
2854 CSC1=C2NC(=S)NC2=NC=N1~    9.873
2857 OC1=CC=CC=C1~    6.251
2858 CC(=O)C1=CC=CS1~    5.273
2859 OC1=CC=C(S)C=C1~    7.265
2860 OC1=CC(=CC=C1)O~   10.234
2861 OC1=C(O)C=CC=C1~   10.234
2863 OC1=CC=C(O)C=C1~   10.234
2864 OCC#CC#CCO~    7.943
2866 CC(=O)C1=CC=CO1~    5.009
2867 COC(=O)C1=CC=CS1~    4.724
2868 OC(=O)CSC1=CSC=C1~    9.197
2871 CC1=C(O)C(=O)C=CO1~    5.184
2872 OC1=C(O)C(=CC=C1)O~   14.217
2873 C=CC(=O)OC(=O)C=C~    5.003
2874 CC1=CC(=CC(=O)O1)O~    6.854
2875 COC(=O)C1=CC=CO1~    4.461
2876 CC1=CC=C(O1)C(O)=O~    6.924
2878 OS(=O)(=O)C1=CC=CC=C1~    8.599
2879 OCC1=CC(=O)C(=CO1)O~    6.622
2880 COC(=O)C#CC(=O)OC~    7.007
2883 OCC1=CC(=O)C=C(O)O1~   10.251
2884 OC1=CC=C(C=C1)S(O)(=O)=O~   12.582
2886 OS(=O)(=O)OC1=CC=CC=C1~    8.521
2887 OC(=O)C[CH]1CC(=O)OC1=O~    9.810
2888 OC1=CC(=C(O)C=C1)S(O)(=O)=O~   16.565
2892 O=C1OCO[CH]1[CH]2OCOC2=O~    9.377
2893 OS(=O)(=O)C1=CC=CC(=C1)S(O)(=O)=O~   14.928
2894 OC1=CC=C(C=C1S(O)(=O)=O)S(O)(=O)=O~   18.914
2895 OC1=C(O)C(=CC(=C1)S(O)(=O)=O)S(O)(=O)=O~   22.896
2896 SC1=CC=CC=C1~    3.282
2897 CC1=CC=CC=N1~    5.109
2898 NC1=CC=CC=C1~    5.721
2901 NC1=C(O)C=CC=C1~    9.703
2902 NC1=CC=C(O)C=C1~    9.703
2903 NC1=CC(=CC=C1)O~    9.703
2904 CC1=C(O)N=CC=C1~    9.092
2905 CC1=CC=[N+]([O-])C=C1~   10.109
2908 CC1=CC(=CN=C1)O~    9.092
2909 CC1=CC=CC=[N+]1[O-]~   10.109
2911 CC1=C(O)C=CC=N1~    9.092
2913 CC(=O)C1=CC=CN1~    7.783
2914 OCC1=CC=CC=N1~    9.545
2916 CC(=NO)C1=CC=CS1~    6.588
2917 C=CCN1C(=O)CSC1=S~    7.124
2918 C=CN1C(=O)CCC1=O~    7.011
2920 CCN1C(=O)C=CC1=O~    7.733
2921 OCC1=C(O)C=CC=N1~   13.529
2922 C=CC(=O)OCCC#N~    7.293
2923 C[C]1(CCC(=O)O1)C#N~    3.428
2924 COC1=CC=[N+]([O-])C=C1~   11.380
2925 OC(=O)CC1=CNC=C1~   10.128
2927 NC1=CC(=C(O)C=C1)O~   13.686
2928 CN1C=CC=C1C(O)=O~    8.409
2929 CC(=O)O[CH](C=C)C#N~    3.200
2930 COC(=O)C1=CC=CN1~    7.233
2932 NS(=O)(=O)C1=CC=CC=C1~    6.375
2933 CC(=O)C(SC#N)C(C)=O~   10.703
2934 CC(N)=C1C(=O)COC1=O~   10.509
2936 [O-][N+](=O)CCC1=CC=CO1~    5.347
2937 CC1=C(O)C=CC(=O)N1O~   13.987
2938 NC1=C(C=CC=C1)S(O)(=O)=O~   12.051
2939 NC1=CC=CC(=C1)S(O)(=O)=O~   12.051
2940 NC1=CC=C(C=C1)S(O)(=O)=O~   12.051
2941 CC1=C(C=NC=C1)S(O)(=O)=O~   11.440
2944 ONS(=O)(=O)C1=CC=CC=C1~    9.073
2945 COCC1=CC=C(O1)[N+]([O-])=O~    6.562
2946 OC(=O)C[CH]1CC(=O)NC1=O~   12.602
2949 NC1=CC(=C(C=C1)S(O)(=O)=O)O~   16.034
2955 NC1=CC=C(S)C=C1~    6.733
2957 NN=CC1=CC=CN=C1~    9.011
2958 NC(=N)C1=CC=NC=C1~   10.620
2959 NNC(=O)C1=CC=NC=C1~   13.917
2961 NC(=O)C1=CC=C(N)N=C1~   14.991
2964 NNC(=O)C1=CC=CN=C1~   13.917
2965 ONC(=N)C1=CC=NC=C1~   13.318
2966 CC1=NC(=CC(=N1)N)C=O~   11.547
2968 NC(=S)NC1=CC=[N+]([O-])C=C1~   14.943
2969 NC(=O)NN=CC1=CC=CS1~   10.369
2970 NC(=S)NN=CC1=CC=CO1~    7.469
2971 CSC1=NC(=NC(=N1)C=O)SC~    8.412
2972 NC1=CC(=CC(=C1)N)[N+]([O-])=O~   11.577
2973 NNC1=CC=C(C=C1)[N+]([O-])=O~   10.503
2974 NC1=CC(=C(N)C=C1)[N+]([O-])=O~   10.236
2976 NNC1=C(C=CC=C1)[N+]([O-])=O~    9.163
2977 NC1=CC(=C(C=C1)[N+]([O-])=O)N~   10.236
2978 NC(=O)NN=CC1=CC=CO1~   10.105
2979 CC1=NC(=C(C=C1)[N+]([O-])=O)N~    9.625
2980 NNC(=O)C1=CC=[N+]([O-])C=C1~   18.917
2981 COC(=O)NC1=NC=CC=N1~    7.377
2982 NC1=NC(=CC(=C1)C(O)=O)N~   16.752
2984 CSC1=NC(=NC(=C1)C(O)=O)N~   10.078
2985 NC(=O)NNC(=O)C1=CC=CO1~   15.011
2988 CNN=CC1=CC=C(O1)[N+]([O-])=O~    8.191
2989 NCC(=O)C1=C(O)N=C(O)N=C1~   15.827
2990 CC1=C(N=C(N)N=C1O)C(O)=O~   14.073
2991 COC(=O)C1=CC(=NC(=N1)N)O~   11.611
2992 COC1=CC(=NC(=N1)N)C(O)=O~   10.401
2995 CN1C(=O)N(C)C(=O)C(=NO)C1=O~   15.173
2996 CCC1=NC(=C(C(=N1)O)[N+]([O-])=O)O~    8.738
2997 COC(=O)NC1=C(O)N=C(O)N=C1~   18.893
2998 CNNC(=O)C1=CC=C(O1)[N+]([O-])=O~   13.097
2999 CCN1C=C(C=C1[N+]([O-])=O)[N+]([O-])=O~    8.398
3003 NC(=S)NN=CC1=CC=CS1~    7.733
3004 CN1N=CC2=C(N)N=CN=C12~   11.833
3005 CC1=NNC2=NC=NC(=C12)N~   13.119
3008 CNC1=C2C=NNC2=NC=N1~   12.821
3011 CNC1=C2N=CNC2=NC=N1~   12.812
3012 CC1=NC2=NN=NN2C(=C1)C~    8.733
3013 CC1=NC2=C(N)N=CN=C2N1~   13.111
3014 CC1=NC(=C2N=CNC2=N1)N~   13.111
3015 CNC1=NC2=CN=CN=C2N1~   12.812
3016 CC1=C2N=CNC2=NC(=N1)N~    9.561
3017 CN1N=CNC2=C1N=CN=C2~   10.836
3018 CN1N=CC2=C(O)N=C(N)N=C12~   12.265
3019 CN1C=NC2=C(O)N=C(N)N=C12~   12.257
3020 CN1N=CC2=C(N)N=C(O)N=C12~   15.815
3021 CN1C=NC2=NC(=NC(=C12)O)N~   12.257
3022 CNC1=C2N=CNC2=NC(=N1)O~   16.796
3023 CC1=NC2=C(O)N=C(N)N=C2N1~   13.544
3024 COC1=NC(=C2N=CNC2=N1)N~   13.421
3025 COC1=NC2=C(N)N=CN=C2N1~   14.382
3026 COC1=C2N=CNC2=NC(=N1)N~    9.873
3027 NC1=C2N=C(CO)NC2=NC=N1~   17.548
3029 CN1C(=O)N(C)C2=C(N=NN2)C1=O~   12.173
3031 CS(=O)(=O)C1=NC2=C(N)N=CN=C2N1~   16.790
3032 NC(=N)NN=CC1=CC=C(O1)[N+]([O-])=O~   13.701
3034 CSC1=NC(=C2C=NNC2=N1)N~   13.107
3035 CSC1=NC2=C(N)N=CN=C2N1~   14.688
3036 CN1C=NC2=C(S)N=C(N)N=C12~    7.699
3038 CNC1=C2N=CNC2=NC(=N1)S~   12.236
3039 CC1=NC2=C(S)N=C(N)N=C2N1~    8.983
3040 CSC1=C2N=NN(C)C2=NC=N1~    8.717
3041 CN(C)C1=NC=NC2=NSN=C12~    9.777
3042 CN1C(=N)NC2=C(N=CN2)C1=S~   13.991
3043 CSC1=NC2=C(S)N=C(N)N=C2N1~   10.562
3044 CSC1=C2NC(=S)NC2=NC(=N1)N~    9.775
3045 CC1=C(N)N=CC=C1~    8.561
3050 NC1=CC=C(N)C=C1~    9.172
3052 NNC1=CC=CC=C1~    8.100
3053 CC1=NC(=CC=C1)N~    8.561
3054 CC1=CC(=NC=C1)N~    8.561
3055 N#CCCCCC#N~    7.527
3056 CC1=NC=C(C)N=C1~    5.450
3057 NC1=CC(=C(O)C=C1)N~   13.155
3059 N#CCCOCCC#N~    9.582
3061 C=CC[CH]1SC(=N)NC1=O~   11.342
3062 O=C1CCSC2=NCCN12~   11.133
3065 CSC1=NC(=CC(=N1)O)C~    9.420
3066 CSC1=NC=CC(=O)N1C~   10.857
3067 CSC1=NC(=O)C=CN1C~   10.857
3068 CSC1=NC(=C(C)C=N1)O~    9.420
3069 N#CSCCOCCSC#N~    9.269
3070 CSC1=NC(=NC(=C1)O)SC~    9.408
3071 CC1=NC(=CC(=N1)O)CO~   13.870
3072 CC(=O)CC(=O)NCC#N~   14.164
3074 CC1=NC(=C(C)C(=N1)O)O~   13.415
3076 CC1=C(C)C(=NC(=N1)O)O~   13.415
3077 O=C1NC(=O)N2CCC[CH]12~    8.572
3078 CC1=C(C)C(=NN=C1O)O~   13.423
3079 NNS(=O)(=O)C1=CC=CC=C1~    8.754
3081 CCOC(=O)NC1=NC=CS1~   10.686
3082 NC1=CC=CC(=C1)S(N)(=O)=O~    9.827
3083 NC1=CC=C(C=C1)S(N)(=O)=O~    9.827
3084 COC1=C(O)N=C(SC)N=C1~   10.690
3085 OC(=O)CCC1=CSC(=N)N1~   12.796
3086 OC(=O)CCC1=CNC(=S)N1~   10.845
3090 CCOC(=O)C1=NNC(=O)C1~    9.080
3091 OCCN1NC(=O)C=CC1=O~   14.550
3093 CN1C(=O)NC(=O)[C]1(C)C=O~   11.376
3095 CCOC1=C(O)N=C(O)N=C1~   14.606
3096 COC(=O)CCC(=O)C=[N+]=[N-]~    5.845
3097 CCOC(=O)C1=CNNC1=O~   13.127
3098 ON=C1CCCC(=NO)C1=O~   10.134
3099 NNC1=CC=C(C=C1)S(O)(=O)=O~   14.429
3100 NC1=C(O)C=CC(=C1)S(N)(=O)=O~   13.810
3102 CCOC(=O)[CH]1SC(=N)NC1=O~   14.084
3103 CCOC(=O)C1=C(O)NC(=N)S1~   12.924
3105 NC1=CC=C(C=C1)S(=O)(=O)NO~   12.524
3106 OC(=O)CC[CH]1NC(=O)NC1=O~   13.686
3108 O=C1OCCN1N2CCOC2=O~    8.550
3109 COC(=O)C=CC(=O)NC(N)=O~   13.070
3111 OC(=O)CNC(=S)C(=S)NCC(O)=O~   16.346
3113 CC1=CC(=NC(=N1)S)C~    4.873
3116 NC(=N)SCC1=CC=CS1~    9.975
3118 CSC1=NC(=CC(=N1)S)C~    4.860
3119 CSC1=CC(=NC=N1)SC~    5.426
3120 CN1N=C(C)C(=C1N)C#N~    9.527
3121 NC1=C(C=NN1CCO)C#N~   13.883
3122 NNC(=O)C1=C(N)N=CC=C1~   17.369
3124 NNC(=S)NN=CC1=CC=CO1~    9.848
3126 CSC1=NC(=C(C=N1)C(N)=O)N~   15.318
3127 CSC1=NC(=C(C(=N1)N)[N+]([O-])=O)C~    9.955
3128 CN1C=NC2=NC(=NS(=C12)(O)=O)C~   11.959
3129 NC1=NC(=NC(=C1)N)SCC(O)=O~   17.513
3134 CN1C(=C(N=O)C(=O)N(C)C1=O)N~   11.442
3135 COC1=NC(=C(C(=N1)N)[N+]([O-])=O)OC~   10.587
3136 CN1C=NC(=C1S(=O)(=O)NC(C)=O)[N+]([O-])=O~   13.095
3137 NC(=S)NN=CC1=CC=CN1~   10.241
3138 NC(=S)NNC1=CC=CN=C1~   12.322
3139 NNC(=S)NN=CC1=CC=CS1~   10.111
3140 CN1N=CC2=C(NN)N=CN=C12~   14.211
3141 NC1=NC(=NC(=N1)N)CCC#N~   12.488
3142 CNNC1=C2N=CNC2=NC=N1~   15.191
3144 CN(C)C1=C2N=NNC2=NC=N1~   11.900
3147 CN1N=CC2=C1N=C(NN)N=C2O~   14.644
3148 CCN1N=NC2=C1N=C(N)N=C2O~   12.532
3150 CCN1N=NC2=C1N=C(N)N=C2S~    7.975
3152 CSC1=C2NC(=N)NC2=NC(=N1)N~   13.604
3153 CC1=CC=C(C)O1~    2.184
3154 CC=CC=CC=O~    4.150
3155 C[C](O)(C=C)C#C~    5.991
3158 CC=CC(=O)OC=C~    3.016
3159 O=C1CCC(=O)CC1~    7.710
3161 C=CCOC(=O)C=C~    3.917
3162 C[CH]1CC=CC(=O)O1~    4.072
3163 CC(=C)C(=O)OC=C~    3.016
3164 O=C1CCCCC1=O~    6.815
3167 CC(=O)C=CC(C)=O~    7.955
3168 O=C1O[CH]2CC[CH]1C2~    4.099
3169 OC(=O)C1=CCCC1~    6.382
3171 CC=CC=CC(O)=O~    6.243
3173 OC(=O)[CH]1CCC(=O)C1~    9.544
3174 CC[CH]1C(=O)COC1=O~    6.311
3175 CC1(C)OC(=O)CC1=O~    6.311
3176 CC1(C)C(=O)COC1=O~    6.311
3177 C[CH]1OC(=O)[CH](C)C1=O~    6.311
3178 C=CC(=O)OC[CH]1CO1~    6.699
3179 C[CH]1OC(=O)C(=C1)CO~    8.437
3180 CC(=O)[CH]1COC(=O)C1~    7.161
3181 OCC1=CC=C(CO)O1~    8.058
3183 CCOC(=O)C=CC(O)=O~    9.240
3184 OC(=O)CCC(=C)C(O)=O~   11.350
3185 OC(=O)C1(CCC1)C(O)=O~   11.377
3187 COC(=O)C=CC(=O)OC~    6.857
3188 OC(=O)C(CC=C)C(O)=O~   11.149
3189 CC(C)=C(C(O)=O)C(O)=O~   11.479
3190 OC(=O)CCC(=O)CC(O)=O~   14.439
3191 COC(=O)CC(=O)C(=O)OC~    8.780
3192 OC(=O)[CH]1CC[CH](O1)C(O)=O~   12.631
3194 CC(=O)S[CH](CC(O)=O)C(O)=O~   14.339
3196 OC(=O)CC(CC(O)=O)C(O)=O~   16.272
3198 O[CH]1O[CH]2[CH](O)C(=O)O[CH]2[CH]1O~   10.733
3199 CC(=O)O[CH](CC(O)=O)C(O)=O~   13.040
3200 OC[CH](O)[CH]1OC(=O)C(=C1O)O~    7.390
3203 OC(=O)CC(O)(CC(O)=O)C(O)=O~   17.079
3204 CC1=CC=C(C)N1~    4.955
3207 N#C[CH]1CCCCO1~    3.513
3211 C=CCNC(=O)C=C~    7.770
3212 C[CH]1CC=CC(=O)N1~    7.924
3214 O[CH]1CCC[CH]1SC#N~    8.658
3215 CC1=C(CCO)SC=N1~    9.644
3216 CC(C)OC(=O)CC#N~    6.893
3217 CC1(C)CC(=O)NC1=O~    7.351
3218 CC1=N[CH](CC1)C(O)=O~    6.129
3219 CCN1C(=O)CCC1=O~    7.132
3220 CC1CC(=O)NC(=O)C1~    7.351
3221 CC(=O)C[C](C)(O)C#N~    8.058
3222 CC(=O)C(=CN)C(C)=O~   11.623
3223 C=CCOC(=O)N1CC1~    6.959
3226 CC(=O)N[CH]1CCSC1=O~    9.614
3227 OC(=O)[CH]1CCCN1C(S)=S~    7.349
3228 CC(=O)OC[C](C)(O)C#N~    7.509
3229 CN1C(=O)OC(C)(C)C1=O~    5.733
3230 CC[C]1(C)OC(=O)NC1=O~    5.951
3231 CC[C]1(C)NC(=O)OC1=O~    6.562
3235 C[CH](NC(=O)C=C)C(O)=O~   11.593
3236 CS(=O)(=O)NCC1=CC=CO1~    6.427
3237 CCOC(=O)C(=NO)C(C)=O~    9.726
3239 OC(=O)CC[CH](NC(S)=S)C(O)=O~   12.463
3240 OC(=O)CCSC(=S)NCC(O)=O~   13.108
3242 C[CH](N)C1=CC=CS1~    6.356
3244 NC1=CC(=C(N)C=C1)N~   12.623
3245 N#CCCNCCC#N~   11.297
3246 CC1=C(C)N=C(N)C=N1~    8.900
3247 CC1=CC(=NC(=N1)C)N~    8.900
3248 C1CC2=C(CN1)NC=N2~    9.342
3249 CC1=C(C)N=C(N)N=C1~    5.351
3251 NC1=CC(=C(O)C(=C1)N)N~   16.607
3252 CC1=NC(=C(CO)C=N1)N~   13.338
3253 CC(C)=NNC(=O)CC#N~   10.660
3257 CC[CH](C#N)C(=O)NC(N)=O~   13.103
3258 CN1C(=CC(=O)N(C)C1=O)N~   10.547
3260 NC1=NC(=CC=N1)OCCO~   10.019
3261 CCNC1=C(O)N=C(O)N=C1~   16.488
3262 N[CH](CC1=CNC=N1)C(O)=O~   13.076
3263 CN1C(=O)[CH](N)C(=S)N(C)C1=O~   12.179
3265 N[CH](CCC(=O)C=[N+]=[N-])C(O)=O~   10.914
3266 CN1C(=O)N(C)C(=O)N(C)C1=O~   13.034
3269 CC1=NC=C(N1CCO)[N+]([O-])=O~   10.772
3273 CSC1=CC(=NC(=N1)N)C~    5.339
3274 CCSC1=NC(=NC=C1)N~    5.259
3276 CSC1=C(N)C(=NC=N1)C~    8.889
3277 CNC1=C(C)C=NC(=N1)S~    8.025
3278 CSC1=NC(=NC(=N1)C)SC~    5.767
3279 CSC1=CC(=NC(=N1)N)SC~    5.327
3281 CSC1=NC(=NC(=C1)N)SC~    8.876
3282 CSC1=NC(=NC(=N1)SC)SC~    5.754
3283 NC1=NC(=NC(=N1)N)OCC=C~    9.421
3284 CCOC1=C(N=O)C(=NC(=N1)N)N~   11.014
3285 CN(C)C1=C(C(=NC=N1)N)[N+]([O-])=O~   10.509
3286 C[C]1(NC(=O)NC1=O)C=NNC(N)=S~   13.799
3288 C[C]1(NC(=O)NC1=O)C=NNC(N)=O~   19.636
3291 CN(C)C1=C2N=NNC2=NC(=N1)N~   11.801
3292 C=C1CCCC=C1~    0.951
3293 C1C[CH]2C[CH]1C=C2~    1.411
3294 CC1=C(N)C=C(N)C=C1~    9.129
3295 CC1=CC(=C(N)C=C1)N~    9.129
3296 CC1=CC=C(NN)C=C1~    8.057
3298 C=CCN(CC=C)C#N~    3.559
3299 CNC1=CC=C(N)C=C1~    8.830
3300 CC1=CC(=CC(=N1)C)N~    8.519
3301 N#CCCCCCC#N~    7.405
3302 CC1=CC(=NC(=C1)N)C~    8.519
3303 NNCC1=CC=CC=C1~    8.593
3304 CC1=CN(CC=C)C=N1~    3.936
3307 CC1=NNC(=O)[CH]1CC=C~    7.516
3308 O=C1CCCC[CH](N1)C#N~   10.979
3311 NC(=O)C[N+]1=CC=CC=C1~   16.642
3313 CCCC1=CC(=NC(=N1)S)O~    8.652
3314 CCSC1=NC(=CC(=N1)O)C~    9.297
3317 C=CC(=O)NCNC(=O)C=C~    8.943
3318 C[N+]1=CC=CC(=C1)C(=O)NO~   18.907
3320 O=C(CC#N)N1CCOCC1~   12.815
3321 C[C]1(NC(=O)NC1=O)C2CC2~    8.668
3322 CCOC(=O)N1C=NC(=C1)C~    5.057
3323 CCC(C)=C1NC(=O)NC1=O~    8.249
3324 CCOC(=O)C1=NNC(=C1)C~    7.457
3327 CC(=O)N1CCN(C(C)=O)C1=S~    8.253
3328 CCOC(=O)C1=C(C)NC(=S)N1~    7.240
3329 COC1=CC(=NC(=N1)OC)SC~    6.016
3331 CC1=C(N)C=C(C=C1)S(N)(=O)=O~    9.783
3332 CC1=C(C=C(N)C=C1)S(N)(=O)=O~    9.783
3334 CCOC(=O)C1=C(C)NC(=O)N1~    9.876
3337 CC1=C(CO)N=C(CO)N=C1O~   15.263
3338 CCCC1C(=O)NC(=O)NC1=O~   12.565
3341 CC[C]1(C=O)N(C)C(=O)NC1=O~   11.253
3342 CN1C(=O)NC(=O)C(C)(C)C1=O~   12.348
3343 CC(C)N1C(=O)CC(=O)NC1=O~   12.348
3344 CCC1(C)C(=O)NC(=O)NC1=O~   12.565
3345 CC(=O)N1C(=O)NC(=O)C1(C)C~   11.047
3346 CCOC(=O)[CH](NC(C)=O)C#N~   12.192
3347 CC1=CC(=C(C(=C1)N)S(O)(=O)=O)N~   15.460
3348 CC1=CC(=C(N)C=C1N)S(O)(=O)=O~   15.460
3349 CCOC(=O)C[CH]1SC(=N)NC1=O~   13.959
3350 COC1=C(N)C=C(C=C1)S(N)(=O)=O~   11.054
3351 CC1=C(N)C=C(C=C1N)S(O)(=O)=O~   15.460
3352 OC(=O)C[CH](NCCC#N)C(O)=O~   16.873
3354 C[C]1(CCC(O)=O)NC(=O)NC1=O~   13.564
3355 COC1=CC=C(NNS(O)(=O)=O)C=C1~   12.236
3357 O=S(=O)(CCC#N)CS(=O)(=O)CCC#N~   15.796
3358 CC1=CC=C(C=C1S(N)(=O)=O)S(N)(=O)=O~   10.438
3359 NC(=O)NC(=O)C=CC(=O)OCCO~   17.383
3360 OC(=O)CCC(CCC(O)=O)([N+]([O-])=O)[N+]([O-])=O~   17.383
3361 N=C1NC2=C(CCCC2)S1~    7.703
3362 CSC1=NC(=NC(=C1)C)SC~    5.383
3363 CSC1=CC(=NC(=N1)SC)SC~    5.371
3364 NC(=N)NC1=CC=C(N)C=C1~   14.341
3366 CC1=NN(CCO)C(=C1C#N)N~   13.842
3367 CN1C=NC2=C1CNC(=O)N2C~   10.306
3368 CCOC(=O)C1=C(N)N=C(N)N=C1~   10.955
3369 CC(=O)NNC1=NC(=CC(=N1)C)O~   14.245
3370 ON(O)NC(=N)NC1=CC=CC=C1~   18.666
3371 NC(=N)NS(=O)(=O)C1=CC=C(N)C=C1~   14.996
3373 CN1C(=C(NC=O)C(=O)N(C)C1=O)N~   15.267
3374 NNC(=S)NNC1=CC=CC=C1~   11.818
3376 N=C1NC(=CS1)CSC2=NCCN2~   14.943
3377 CNC1=NC(=C2C=NNC2=N1)NC~   12.380
3378 CN1N=CC2=C(NN)N=C(C)N=C12~   14.168
3380 CNC1=NC(=C2N=CNC2=N1)NC~   12.373
3381 CN(C)C1=NC(=C2N=CNC2=N1)N~   11.402
3382 CN(C)C1=C2N=CNC2=NC(=N1)N~   11.402
3383 CNC1=NC2=C(NC)N=CN=C2N1~   15.921
3384 CN(C)NC1=C2N=CNC2=NC=N1~   14.851
3385 CC(C)OC1=C2N=NNC2=NC(=N1)N~   10.024
3386 ON(O)NC(=N)NN=CC1=CC=NC=C1~   21.955
3388 ON(O)NC(=N)NN=CC1=CC=CN=C1~   21.955
3389 COC1=NC(=NC(=N1)OC)C=NNC(N)=S~   11.652
3391 CSC1=NC(=C2N=NNC2=N1)N(C)C~   11.845
3392 CCCSC1=NC(=NC2=C1N=NN2)N~    9.701
3393 NNC(=O)CN1C=NC2=C1N=CN=C2NN~   23.401
3394 O=C[CH]1CCC=CC1~    3.967
3395 CC[C](O)(C=C)C#C~    5.866
3396 CCCC1=CC=CO1~    1.979
3397 CC1=CC(=O)CCC1~    4.425
3398 O=C(C1CC1)C2CC2~    4.524
3399 O[CH]1C[CH]2C[CH]1C=C2~    5.599
3400 CC(C)(O)C1=CC=CS1~    6.682
3402 OCCCC1=CC=CO1~    6.418
3403 CC(=C)C(=O)OCC=C~    3.721
3405 OC1C2CC3C1C3C2O~    7.335
3407 COC(=O)C=CC=CC~    3.738
3408 CCOCC1=CC=CO1~    4.035
3410 OC(=O)[CH]1CCC=CC1~    6.057
3411 CCOC(=S)SC(=S)SC(=S)OCC~    9.274
3412 CC1=C(CCCO1)C(O)=O~    7.413
3413 CC(=O)O[CH]1CCOC=C1~    4.903
3414 CC1=CC(=O)OC(C)(C)O1~    5.103
3415 CC1(C)CC(=O)OC(=O)C1~    4.434
3416 C=CCOC(=O)OCC=C~    2.971
3417 CC(=O)OC(C)=CC(C)=O~    6.111
3418 COC1=CC(=O)O[CH](C)C1~    5.103
3419 CC(=C)C(=O)OC[CH]1CO1~    6.503
3420 CC(=O)CC(=O)OCC=C~    6.810
3421 COC(=O)CC(=C)C(C)=O~    7.011
3422 COC(=O)[CH]1CCC(=O)C1~    7.038
3424 CCOC(=O)C(=O)CC(C)=O~    9.206
3426 OC(=O)CC[CH]1CCC(=O)O1~    8.870
3427 COC(=O)CC(=C)C(=O)OC~    6.462
3428 CCOC(=O)CC(=O)OC=C~    5.434
3429 CC(=O)OCC=COC(C)=O~    5.362
3430 OC(=O)C1(CCCC1)C(O)=O~   11.253
3432 CC(C)C(=CC(O)=O)C(O)=O~   11.428
3433 COC(=O)CC=CC(=O)OC~    6.462
3434 COC(=O)[CH]1O[CH]1[CH]2O[CH]2C~    7.735
3436 COC(=O)C=C(C)C(=O)OC~    6.664
3437 CC(=O)OC(OC(C)=O)C=C~    6.261
3438 OC(=O)[CH]1CC[CH](C1)C(O)=O~   11.253
3439 O=CO[CH]1CCC[CH]1OC=O~    5.971
3440 C[CH](SC(=S)S[CH](C)C(O)=O)C(O)=O~   15.281
3441 OC(=O)C1(CCOCC1)C(O)=O~   14.208
3443 OC(=O)CCC(=O)CCC(O)=O~   14.316
3444 COC(=O)C=C(O)CCC(O)=O~   12.382
3445 OC(=O)CC[CH](CC(O)=O)C(O)=O~   16.149
3446 OC(=O)CC(CC(O)=O)CC(O)=O~   16.149
3450 CC1=CC=[N+](C)C=C1~    9.780
3452 N#CC1CCCCC1~    4.256
3456 C=CCN1CCCC1=O~    7.383
3458 CC=CC(=O)NCC=C~    7.575
3459 OCC[N+]1=CC=CC=C1~   14.137
3461 CC1=C(O)C=CC=[N+]1C~   13.762
3462 C#CCN1CCOCC1~    7.263
3463 CC[C](C)(OC(C)=O)C#N~    2.951
3464 CC(C)(C)OC(=O)CC#N~    6.770
3468 C[CH]1C[CH](N=C1C)C(O)=O~    6.006
3469 NC(=O)[CH]1OC12CCCC2~    9.752
3471 CNC(=O)O[CH]1CCC=C1~    6.979
3473 C=COC(=O)CCN1CC1~    6.471
3474 CCCN1C(=O)CCC1=O~    7.009
3477 CCCCOC(=O)CSC#N~    6.613
3478 CCOC(=O)CSCCC#N~    8.863
3480 CC(C)=C(NC(C)=O)C(O)=O~   11.006
3481 CC(=O)NC(C(C)=O)C(C)=O~   12.654
3482 CCC1(CC)OC(=O)NC1=O~    5.830
3483 CCC[CH]1OC(=O)N(C)C1=O~    5.609
3485 CCN1C(=O)OC(C)(C)C1=O~    5.609
3489 CCOC(=O)C[C](C)(O)C#N~    7.386
3490 OC(=O)CSC(=S)N1CCOCC1~   11.225
3491 N[C]1(CC[CH](C1)C(O)=O)C(O)=O~   13.943
3492 CCOC(=O)C(=C(C)C)[N+]([O-])=O~    6.421
3493 CC(=O)N([CH](CS)C(O)=O)C(C)=O~   12.055
3494 CC(=O)N[CH](CCC(O)=O)C(O)=O~   16.321
3497 CC[CH](N)C1=CC=CS1~    6.232
3498 CN(C)CC1=CC=CS1~    5.796
3505 SC(=S)N(CC=C)CC=C~    3.174
3506 CN(CCC#N)CCC#N~   10.955
3507 NCCNC1=CC=CC=N1~   12.127
3508 NNC(=O)C[N+]1=CC=CC=C1~   19.020
3509 C[N+]1=CC=CC(=C1)C(=O)NN~   18.588
3510 CCCOC1=CN=C(N)N=C1~    6.418
3511 CC1=NC=C(N)C(=C1N)CO~   16.407
3512 CCSC1=NC(=C(CO)C=N1)N~   13.203
3513 CC(C)SC1=CC(=NC(=N1)N)O~    9.119
3514 CN(C)CC1=C(O)N=C(O)N=C1~   16.762
3515 CCSC1=CC(=NC(=N1)N)C~    5.216
3516 CNC1=NC(=NC=C1C)SC~    8.548
3517 C=CCN(CC=C)C1=NN=NN1~    7.775
3518 CN(C)C1=NC(=C(C(=N1)N)[N+]([O-])=O)C~    8.256
3519 CC[C]1(NC(=O)NC1=O)C=NNC(N)=S~   13.676
3520 CC[C]1(NC(=O)NC1=O)C=NNC(N)=O~   19.513
3521 NC1=NC(=C(NC=O)C(=N1)O)NCCO~   22.648
3522 CN1C(=O)N(C)C(=O)C(O)(NNC(N)=S)C1=O~   18.165
3524 CN1C(=O)N(C)C(=O)C(O)(NNC(N)=O)C1=O~   24.001
3528 CCC(=C)C1CC1~    0.807
3529 CC=C(C)C1CC1~    0.733
3531 N#CCN1CCCCC1~    7.807
3533 N#CCCN1CCOCC1~    9.860
3534 CCCC[CH]1SC(=N)NC1=O~   11.091
3536 CCCN1CCC(=O)NC1=S~    8.717
3538 CCC(=CC)C(=O)NC(N)=O~    9.733
3539 CC(C)[C]1(C)NC(=O)NC1=O~    8.312
3540 CCC[C]1(C)NC(=O)NC1=O~    8.312
3541 CC1=CSC(=[N+]1CCC(O)=O)N~   18.502
3543 CCOC(=O)C=C(C)NC(N)=O~   11.360
3544 OCCCC[CH]1NC(=O)NC1=O~   12.750
3547 CCOC(=O)CNC(=O)N1CC1~    9.971
3548 CC(=O)NC(C)(NC(C)=O)C(O)=O~   12.093
3550 CCOC(=O)NC(=O)NC(=O)OCC~   11.112
3552 CC1=CC(C)(C)NC(=S)N1~    5.717
3553 C=CCNC(=S)NCC=C~    5.883
3554 CCC1(CC)NC(=S)NC1=S~    6.175
3555 CN(C)C(=S)SSC(=S)SSC(=S)N(C)C~    6.548
3556 C1CCC(CC1)C2=NN=NN2~    5.910
3557 CCN1C(=NC(=C1C(N)=O)N)C~   13.770
3558 C[CH](NC(=O)N[CH](C)C(N)=O)C#N~   17.409
3559 CC1=NN(CCO)C(=C1C(N)=O)N~   18.213
3560 CN(C)CC1(N)C(=O)NC(=O)NC1=O~   18.804
3561 NC(=O)C(CC(C(N)=O)C(N)=O)C(N)=O~   24.963
3562 NC(=O)CNS(=O)(=O)CC[CH]1NC(=O)NC1=O~   18.277
3563 CCNC1=CC(=NC(=N1)N)SC~    8.370
3566 C[CH]1CCCCC1=O~    4.168
3567 C[CH]1CCCC(=O)C1~    4.168
3568 CC1CCC(=O)CC1~    4.168
3569 CCC(O)(CC)C#C~    5.738
3571 O=C1CCCCCC1~    4.168
3572 C[C]12CCCC[CH]1O2~    3.660
3573 C[CH]1CCC[CH]2O[CH]12~    3.660
3574 CC(C)[C](C)(O)C#C~    5.738
3575 CC(C)(CC=C)C=O~    3.682
3578 O[CH]1C[CH]2CC[CH]1C2~    5.542
3587 CCO[CH]1CCC=CO1~    3.387
3588 CC=CC(=O)OC(C)C~    3.593
3589 O=COC1CCCCC1~    3.361
3590 CC(C)(C)C=CC(O)=O~    5.975
3591 C1COC2(C1)CCCO2~    5.416
3592 CC[CH](C)OC(=O)C=C~    3.666
3593 CCCC(=O)OCC=C~    3.391
3595 CC(C)(C)OC(=O)C=C~    3.666
3596 C[CH]1CCC[CH]1C(O)=O~    6.002
3597 CCCCC(=O)C(C)=O~    6.335
3598 CCCCC(=O)OC=C~    2.564
3599 CCCOC(=O)C(C)=C~    3.593
3600 CC(C)OC(=O)C(C)=C~    3.593
3601 CC(C)(OCCO)C#C~    7.793
3602 CC(=O)C(C)(C)C(C)=O~    7.231
3603 CCOC(OCC)C#C~    4.712
3605 CCC[CH]1CCC(=O)O1~    3.620
3606 CC(=O)S[CH]1CCC[CH]1O~    8.506
3607 CC(=O)CCCOC(C)=O~    6.682
3608 CCOC(=O)[CH](C)C(C)=O~    6.682
3611 CCOC=CC(=O)OCC~    4.821
3612 CCOC(=O)CC(=O)CC~    6.682
3613 CCOCCOC(=O)C=C~    5.719
3617 CCOC(=O)CCC(C)=O~    6.682
3621 CCC(CC)(C(O)=O)C(O)=O~   10.896
3622 OCCCOC(=O)OCC=C~    7.280
3624 CCOC(=O)CC(=O)OCC~    6.133
3625 COC(=O)CCCCC(O)=O~    8.516
3627 COCCO[CH](C)C(=O)C=O~    9.335
3628 CC(C)[CH](CC(O)=O)C(O)=O~   10.896
3629 O=COCCCCCOC=O~    5.614
3630 CC(C)(COC=O)COC=O~    5.614
3632 CCOC(=O)C(C)(C)C(O)=O~    8.516
3633 CCOC(=O)CC1OCCO1~    7.029
3634 OC(=O)CCCCCC(O)=O~   10.896
3635 CC[C](C)(CC(O)=O)C(O)=O~   10.896
3636 CO[CH]1CO[CH]2[CH](O)CO[CH]12~   12.607
3637 CC(C)(CC(O)=O)CC(O)=O~   10.896
3638 C1OCC2(CO1)COCOC2~    8.625
3640 CC(=O)OC[CH](CO)OC(C)=O~   10.570
3647 COC(=O)[C]1(O)OC[CH](O)[CH](O)[CH]1O~   10.842
3649 CCCCCCC#N~    3.900
3650 CC(=O)N1CCCCC1~    7.255
3651 CC(C)(C)NC(=O)C=C~    7.519
3652 NC(=O)C1CCCCC1~    7.693
3653 CCN(CC)C(=O)C=C~    7.300
3655 C[CH]1CC[CH](C)C1=NO~    4.971
3656 CCCCCOCC#N~    2.134
3657 COC1=NCCCCC1~    4.109
3660 CC[CH]1CN1C[CH]2CO2~    7.211
3662 C[CH]1CSC(C)(C)C(=O)N1~    9.569
3663 CC(C)(SCC=C)C(N)=O~    9.559
3664 C[CH]1CC(C)(C)NC(=S)O1~    5.467
3665 [O-][N+](=O)CC1CCCCC1~    3.991
3666 NC1(CCCCC1)C(O)=O~    8.690
3668 N[CH](C1CCCC1)C(O)=O~    8.690
3672 CCC(=O)N1CCOCC1~    9.310
3675 O[CH](CN1CCCC1)C=O~    8.267
3676 CN(C)CCOC(=O)C=C~    7.215
3677 NC(=O)OC1CCCCC1~    7.143
3680 COC(=O)C1(N)CCCC1~    6.307
3682 C[CH]1CCC[C]1(N)C(O)=O~    8.690
3683 C1CN(CCO1)C[CH]2CO2~    9.266
3684 C[C](N)(CCC=C)C(O)=O~    8.462
3686 CC1(C)C[C](C)(N)C(=O)O1~    6.307
3687 CC(C)OC(=O)NCC=C~    6.697
3688 CCN(CC)C(=S)SCC(O)=O~    8.815
3689 CC(C)C[CH](NC=O)C(O)=O~   10.810
3690 C[CH](O)C(=O)N1CCOCC1~   10.116
3691 C[CH](OC(C)=O)C(=O)N(C)C~    8.917
3692 CC(=O)CCC(C)(C)[N+]([O-])=O~    7.056
3697 C[CH](CCCC(O)=O)NC=O~   12.110
3698 C[CH](CC(C)(C)[N+]([O-])=O)C=O~    6.796
3699 CSCC[CH](NC(C)=O)C(O)=O~   13.164
3701 CC(=O)N[CH](C(O)=O)C(C)(C)S~   12.519
3702 CC(C)(CO)NC(=S)SCC(O)=O~   13.471
3703 CN(C)C(=S)S[CH]1CS(=O)(=O)C[CH]1O~   12.551
3704 CC(C)N(CC(O)=O)CC(O)=O~   11.848
3705 CCOC(=O)CNC(=O)OCC~    8.138
3706 CCOC(=O)CC[CH](N)C(O)=O~   11.203
3707 CC(=O)OCCCCOC(N)=O~    9.658
3709 OCCOC(=O)N1CCOCC1~   13.197
3712 C[CH](CC(C)(C)[N+]([O-])=O)C(O)=O~    8.889
3713 C[CH](CC(O)=O)[C](C)(N)C(O)=O~   13.585
3715 CC(=S)N1CCCCC1~    4.495
3719 C1CCN(C1)C2=NCCN2~    9.730
3721 O=C1NN(NO1)C2CCCCC2~   10.299
3722 CCOC(=O)CC(C)=NNC(N)=S~    8.629
3723 COC(=O)CCC(C)=NNC(N)=S~    8.629
3724 C[CH](CC(C)=NNC(N)=O)C(O)=O~   13.648
3725 COC(=O)CCC(C)=NNC(N)=O~   11.264
3727 NC(=S)NN=C1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O~   16.299
3730 SC(=S)NCCN(CCNC(S)=S)C(S)=S~    8.403
3731 CN(C)C1=NC(=C(N)C(=N1)C)N~   10.644
3732 CCNC1=NC(=C(N)C(=N1)N)C~   11.833
3734 CC1CCCCC1~    0.470
3735 CC[CH](C)C1CC1~    0.470
3736 CCN(CC)CCC#N~    7.451
3737 CC(C)N(C#N)C(C)C~    3.304
3738 CCCCN(C)CC#N~    7.451
3740 CC(C)N=C=NC(C)C~    3.003
3742 NCC(=O)N1CCCCC1~    9.943
3745 NNC(=O)C1CCCCC1~   10.071
3746 OCCN1CCN(CC1)C(S)=S~   11.262
3747 C[CH](CNC(C)=O)NC(C)=O~   10.640
3751 COC(=O)N1CCN(C)CC1~   10.256
3752 CCCCCC(=O)NC(N)=O~    9.475
3753 CCOC(=O)N1CCNCC1~   10.475
3754 CCC(CC)C(=O)NC(N)=O~    9.475
3755 CC(C)[CH](C)C(=O)NC(N)=O~    9.475
3756 CN1CCC(CC1)OC(N)=O~   10.695
3760 N[CH](CCCCNC(S)=S)C(O)=O~   11.076
3763 CCNC(=O)CC[CH](N)C(O)=O~   15.057
3765 CCOC(=O)NCNC(=O)OCC~    7.043
3766 CC(C)OC(=O)N(C(C)C)[N+]([O-])=O~    7.286
3767 CCCCOC(=O)N(CC)[N+]([O-])=O~    7.286
3769 OCCNC(=O)CC(=O)NCCO~   16.514
3771 NC(=S)NC1CCCCC1~    6.201
3773 C[CH]1CN([CH](C)CN1)C(S)=S~    7.043
3774 C[CH]1NCCN([CH]1C)C(S)=S~    7.043
3776 CN(C)C(=S)SCSC(=S)N(C)C~    6.733
3777 CCOC(=O)NNC(=O)NNOC(=O)CC~   16.775
3778 CC(CSC(N)=N)=CCSC(N)=N~   15.588
3780 CNC(=S)NN=CC(C)=NNC(=S)NC~   10.686
3781 CC(=O)CC(C)(C)C~    3.812
3783 CCCCCCC=O~    3.553
3784 CC1CCC(O)CC1~    5.187
3785 OCC1CCCCC1~    5.187
3786 CCCCCC(C)=O~    3.812
3787 CCCCC(=O)CC~    3.812
3788 CCCC(=O)CCC~    3.812
3790 CC(C)C(=O)C(C)C~    3.812
3791 C[CH]1CCC[CH](O)C1~    5.187
3792 CCCCC[CH]1CO1~    3.305
3796 CCCCSC(=S)OCC~    4.738
3797 CC(C)[CH](C)OC(C)=O~    3.264
3798 CC(C)C[CH](C)OC=O~    3.004
3799 CC(=O)OCC(C)(C)C~    3.264
3801 CCOC(=O)[CH](C)CC~    3.264
3802 CCC[CH](C)CC(O)=O~    5.646
3803 CCCCCCC(O)=O~    5.646
3804 OCCC[CH]1CCCO1~    8.141
3805 CCCCCCOC=O~    3.004
3807 CCCCCOC(C)=O~    3.264
3808 CCCCOC(=O)CC~    3.264
3809 CCC(=O)OCC(C)C~    3.264
3810 CCCCC(=O)OCC~    3.264
3811 CCOC(=O)CC(C)C~    3.264
3812 CC(C)CCOC(C)=O~    3.264
3814 CC(C)[CH](C)CC(O)=O~    5.646
3816 C[C]1(O)CCCC[CH]1O~    6.623
3817 CCOC(=O)C(C)(C)C~    3.264
3819 COC(C)(C)CC(C)=O~    5.866
3821 OCC1(CO)CCCC1~    6.623
3822 CCCCSCCC(O)=O~    7.740
3823 CCOC(=O)CCSCC~    5.359
3825 CCSCCOC(=O)CC~    5.359
3827 CCCOC(=O)CCOC~    5.319
3830 CCOCCC(=O)OCC~    5.319
3833 CO[CH](C)CCOC(C)=O~    5.319
3836 COCCC[CH](C)C(O)=O~    7.701
3837 CC(C)(O)C1(C)OCCO1~    8.597
3838 OCCCC[CH]1COCO1~    8.597
3840 CCCC1(C)COS(=O)OC1~    4.425
3841 CCOCCOC(=O)[CH](C)O~    6.126
3842 CCCC(=O)OC[CH](O)CO~    9.138
3843 CCOC(=O)CCCS(C)(=O)=O~    7.458
3844 C[CH]1OCO[CH](CO)[CH](O)[CH]1O~   11.470
3846 COCCOC(=O)OCCOC~    6.824
3848 CO[C]1(CO)OC[CH](O)[CH](O)[CH]1O~   13.807
3852 CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O~   13.807
3853 COC1[CH](O)[CH](O)C(O)[CH](O)[CH]1O~   12.991
3855 OC[CH](O)[CH](O)[CH](O)[CH](O)C(=O)CO~    8.174
3859 OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)C=O~   11.545
3862 OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O~   13.638
3863 CCCCSCC=C~    2.618
3864 CNC1CCCCC1~    4.520
3866 C[CH]1CCCN[CH]1C~    4.520
3867 C[CH]1CCC[CH](C)N1~    4.520
3868 C[CH]1CCN[CH](C)C1~    4.520
3870 C[CH]1CCCC[CH]1N~    4.738
3871 NCC1CCCCC1~    4.738
3873 CCN(CC)C(=O)CC~    6.900
3874 CCCCCC(C)=NO~    4.616
3875 CCCCCCC=NO~    4.616
3876 OCCN1CCCCC1~    8.738
3878 CCN1CCC[CH](O)C1~    8.738
3879 CC(CC(C)(C)C)=NO~    4.616
3881 CCCC[CH](C)NC=O~    6.857
3883 CCCCCNC(C)=O~    7.117
3884 OCC[CH]1CCCCN1~    8.955
3886 CCC(CC)C(=O)NC~    7.117
3887 CC(=O)NCC(C)(C)C~    7.117
3888 NC1(CO)CCCCC1~    9.175
3889 CC(C)C[CH](N)C(C)=O~    6.500
3890 CC(C)C(C)(C)C(N)=O~    7.336
3892 CO[CH]1CCC[CH](N)C1~    6.793
3893 COC1CCC(N)CC1~    6.793
3895 CCCC[CH](N)C(C)=O~    6.500
3897 CC[CH](C(C)C)C(N)=O~    7.336
3898 NCC1(O)CCCCC1~    9.175
3900 CCCC(CCC)=NO~    4.616
3901 CCN(CC)C[CH]1CO1~    6.857
3902 CCC(=O)NC(C)(C)C~    7.117
3903 CN1CCCC[CH]1CO~    8.738
3905 CCCCNC(=O)OCC~    6.569
3906 CCCC(CCC)[N+]([O-])=O~    3.636
3908 CCCCNC(=O)[CH](C)O~    7.924
3909 CC[CH](C)NC(=O)[CH](C)O~    7.924
3910 CC(C)CNC(=O)[CH](C)O~    7.924
3914 CC(C)CC[CH](N)C(O)=O~    8.333
3915 CCCCC[CH](N)C(O)=O~    8.333
3916 CCC[CH](C)COC(N)=O~    6.788
3917 CCOC(=O)N(CC)CC~    6.351
3918 CC(C)C[C](C)(O)C(N)=O~    8.143
3920 CCC[CH](CC)OC(N)=O~    6.788
3921 CCCC[C](C)(N)C(O)=O~    8.333
3922 COC(=O)[CH](N)CC(C)C~    5.951
3923 CC[C](N)(C(C)C)C(O)=O~    8.333
3924 CCC[C](N)(CC)C(O)=O~    8.333
3926 C[N+](C)(C)[CH]1CS(=O)(=O)C=C1~   16.364
3928 CS(=O)(=O)NC1CCCCC1~    5.074
3929 CSCC[CH](N(C)C)C(O)=O~    9.991
3931 CCC[CH]([CH](O)CC)[N+]([O-])=O~    8.074
3932 C[CH](O)CNC(=O)C(C)(C)O~    9.362
3933 C[CH](O)C(=O)N(C)CCCO~    9.143
3934 CCN(CCO)C(=O)[CH](C)O~    9.143
3935 CCC[CH](O)[CH](CC)[N+]([O-])=O~    8.074
3936 CC[CH]([CH](O)C(C)C)[N+]([O-])=O~    8.074
3937 CCC[CH](O)C(C)(C)[N+]([O-])=O~    8.074
3938 C[CH](O)CCC(C)(C)[N+]([O-])=O~    8.074
3939 CCCCNC(=O)OCCO~   11.006
3940 CCOC(=O)NCC(C)(C)O~   11.006
3941 CCOC(=O)NC(C)(C)CO~   11.006
3942 CCCCC[CH](O)C[N+]([O-])=O~    8.074
3943 OS(=O)(=O)NC1CCCCCC1~    7.646
3944 C[CH](O)C(=O)NC(C)(CO)CO~   10.799
3945 CCOC(OCC)[CH](N)C(O)=O~   11.742
3946 C[CH](O)CCC(=O)NCCS(O)(=O)=O~   18.321
3949 CCSC(=S)N(CC)CC~    3.564
3951 CC(C)N(C(C)C)C(S)=S~    2.917
3952 CC(=O)CC(C)(C)NNC(N)=S~   11.642
3955 N[CH](CCCCNC(N)=O)C(O)=O~   16.420
3956 NC(=O)NN=C[CH](O)[CH](O)[CH](O)[CH](O)CO~   18.580
3957 CC(C)CC(C)=NNC(N)=S~    5.759
3958 CC[CH](C)C(C)=NNC(N)=S~    5.759
3959 NC(=S)NNC1CCCCC1~    8.580
3960 SC(=S)NCCN1CCNCC1~   10.812
3961 CCCCCCN1N=NNC1=N~    9.435
3962 CC(C)N(C(C)C)C1=NN=NN1~    7.520
3963 CCCNC1=NN=NN1CCC~    7.503
3964 CC(C)NC1=NN=NN1C(C)C~    7.503
3965 CC[CH](C)C(C)C~   -0.356
3967 NCCCN1CCOCC1~   10.343
3968 CC(C)C(C)(C)NC(N)=O~    8.481
3969 C[N+](C)(C)C[CH](O)CC#N~   20.152
3972 CCCCNC(=O)NCC~    8.263
3974 CCCCCCC(=O)NN~    9.714
3976 CN1C[N+](C)(CCO)CSC1=S~   15.002
3977 CC(C)NCC(C)(C)[N+]([O-])=O~    7.407
3978 CCNC(=O)OCCN(C)C~   10.120
3979 CN(C)S(=O)(=O)N1CCCCC1~    6.116
3980 CCS(=O)(=O)N1CCN(C)CC1~    8.407
3982 CC(C)NC(=S)NC(C)C~    5.627
3983 CC(C)(C)CCSC(N)=N~    8.000
3986 CCCCCNC(=S)NNC(N)=O~   12.322
3989 CS(=O)(=O)N(CCCCCN(N=O)S(C)(=O)=O)N=O~   10.857
3990 CN(N=O)S(=O)(=O)CCCCCS(=O)(=O)N(C)N=O~   10.857
3991 NC(=N)SCCCCCSC(N)=N~   15.606
3992 C[CH](CCCSC(N)=N)SC(N)=N~   15.606
3994 NNC(=O)C(CC(C(=O)NN)C(=O)NN)C(=O)NN~   34.478
3995 CCCCC[CH](C)O~    4.631
3996 CCCC[CH](O)CC~    4.631
3997 CCCCCCCO~    4.631
3998 CCCC(O)CCC~    4.631
3999 CC(C)C(O)C(C)C~    4.631
4000 CCCCC(C)(C)O~    4.631
4003 CCC[C](C)(O)CC~    4.631
4005 CC(C)C[CH](C)CO~    4.631
4006 CC[CH](O)C(C)(C)C~    4.631
4007 CCCCOC[CH](C)O~    6.886
4009 CCCOCOCCC~    3.804
4010 CCC(CC)(CO)CO~    6.268
4012 COCCC[CH](C)CO~    6.886
4013 CC(C)OCCOCCO~    8.939
4014 CCOC(OCC)OCC~    5.857
4015 CO[CH](C)CC(OC)OC~    5.857
4016 OCCCC(O)CCCO~    7.706
4017 COC[CH](O)COC(C)C~    8.939
4019 OCCSCC(O)CSCCO~   11.896
4020 COCCOCOCCOC~    7.914
4022 COC(CC(OC)OC)OC~    7.914
4023 CCO[CH](C)CCCS(O)(=O)=O~    9.216
4024 CCS(=O)(=O)C(C)(C)S(=O)(=O)CC~    8.785
4025 CCCCC(S(C)(=O)=O)S(C)(=O)=O~    8.785
4026 CC(C)S(=O)(=O)CS(=O)(=O)C(C)C~    8.785
4027 C[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)CO~   12.016
4029 COS(=O)(=O)CCCCCS(=O)(=O)OC~    9.164
4031 OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)CO~   13.453
4032 CCSC(SCC)SCC~    6.680
4036 CCCCCCCN~    4.382
4037 C[N+]1(C)CCCCC1~   12.565
4038 C[N+](C)(C)C1CCC1~   12.565
4039 CCCCC[CH](C)N~    4.382
4040 CCN(CC)C[CH](C)O~    8.382
4041 CCN(CC)CCCO~    8.382
4042 CCC[CH](O)[CH](N)CC~    8.818
4044 CCC[CH](O)CN(C)C~    8.382
4046 C[N+](C)(C)C[CH](O)C=C~   16.775
4047 CCCNC(C)(C)CO~    8.600
4048 CCCN[CH](C)[CH](C)O~    8.600
4050 CC[CH](C)N(C)CCO~    8.382
4051 COCCN(C)C(C)C~    6.000
4052 CC[CH](CO)NC(C)C~    8.600
4053 CC[N+]1(C)CCOCC1~   14.620
4056 CCC(CO)(CO)N(C)C~    9.818
4057 CC(C)N(CCO)CCO~    9.818
4060 C[CH](O)CN(CCO)CCO~   11.256
4061 CCCCCC[CH](N)S(O)(=O)=O~    8.479
4062 OCC(CO)(CO)NC[CH](S)CS~   14.375
4063 CNC[CH](O)[CH](O)[CH](O)[CH](O)CO~   14.349
4064 CCCNN(CCC)C(N)=O~   10.642
4065 CCN(CC)CCSC(N)=N~   11.551
4067 CNCCCCCNC~    7.932
4068 CCN(CC)CCCN~    7.932
4070 CCN(CC)CCNC~    7.714
4071 CCCCNCCCN~    8.151
4073 CCN(CC)[C](C)(O)CN~   11.070
4074 C[CH](O)CNCC(C)(C)N~   12.588
4075 CCN(CC)C[CH](O)CN~   12.370
4076 NCCCN(CCO)CCO~   13.807
4077 CC[N+](C)(CC)CC[N+]([O-])=O~   15.453
4078 C[CH](C[N+](C)(C)C)OC(N)=O~   18.604
4079 C[N+](C)(C)CCOC(=O)CN~   17.767
4080 CCC[N+](C)(N)CCC~   14.807
4081 NCCNCCCNCCN~   15.910
4082 [O-][N+](=O)C1=C(C=CC=C1)C#N~    6.688
4083 [O-][N+](=O)C1=CC=CC(=C1)C#N~    6.688
4084 [O-][N+](=O)C1=CC=C(C=C1)C#N~    6.688
4086 [O-][N+](=O)C1=C(C=CC=C1)N=C=O~    6.037
4089 [O-][N+](=O)C1=CC(=C(C=O)C=C1)[N+]([O-])=O~    9.680
4090 OC(=O)C1=C(C=CC(=C1)[N+]([O-])=O)[N+]([O-])=O~   11.772
4091 OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O~   11.772
4093 N#CC(CC(C#N)C#N)C#N~   14.416
4096 [O-][N+](=O)C1=CC(=C(NC2=NN=NN2)C(=C1)[N+]([O-])=O)[N+]([O-])=O~   13.366
4098 O=C1OS(=O)(=O)C2=CC=CC=C12~    6.833
4099 OC(=O)C1=CC(=O)C=C(O1)C(O)=O~   14.432
4101 N#CC1=CC=CC=C1~    4.283
4102 O1C=NC2=C1C=CC=C2~    6.163
4103 S=C1NC2=CC=CC=C2O1~    5.979
4104 OC1=CC=C(SC#N)C=C1~    9.040
4107 O=C1NC2=CC=CC=C2S1~    6.412
4109 O=CC1=NC(=CC=C1)C=O~   10.359
4110 O=C1ONC2=C1C=CC=C2~    6.652
4111 OC1=CC=C(SC#N)C=C1O~   13.023
4112 [O-][N+](=O)C1=CC=CC(=C1)C=O~    7.276
4113 [O-][N+](=O)C1=C(C=O)C=CC=C1~    7.276
4114 [O-][N+](=O)C1=CC=C(C=O)C=C1~    7.276
4117 O=C1NS(=O)(=O)C2=CC=CC=C12~    8.910
4118 [O-][N+](=O)C1=CC=CC(=C1)C(S)=O~    6.790
4119 OC1=COC(=CC1=O)CSC#N~    8.409
4120 OC(=O)C1=NC(=CC=C1)C(O)=O~   14.544
4121 OC(=O)C1=CC=C(N=C1)C(O)=O~   14.544
4122 OC(=O)C1=C(C=NC=C1)C(O)=O~   14.544
4124 [O-][N+](=O)C1=CC2=C(OCO2)C=C1~    7.607
4126 OC(=O)C1=CC=C(C=C1)[N+]([O-])=O~    9.369
4127 OC(=O)C1=C(C=CC=C1)[N+]([O-])=O~    9.369
4130 OC(=O)C1=C(N=CC=C1)C(O)=O~   14.544
4131 OC1=C(C=CC=C1C=O)[N+]([O-])=O~    4.658
4132 OC(=O)C1=C(O)C(=CC=C1)[N+]([O-])=O~    6.752
4134 OC(=O)C1=C(O)C=C(C=C1)[N+]([O-])=O~   10.252
4135 OC(=O)C1=CC(=O)C=C(N1)C(O)=O~   16.405
4139 OC(=O)C1=C(C=C(C=C1)[N+]([O-])=O)S(O)(=O)=O~   15.699
4140 OC(=O)C1=C(O)C(=CC(=C1)S(O)(=O)=O)[N+]([O-])=O~   13.082
4142 S1C=NC2=C1C=CC=C2~    6.427
4145 C1=CC2=NC=NN=C2C=C1~    6.936
4149 [O-][N+](=O)C1=CC2=C(NC=N2)C=C1~    8.839
4150 OC1=C2C=CC=NC2=C(O)N=N1~   17.401
4155 OC1=C2C=CN=CC2=C(O)N=N1~   17.401
4158 [O-][N+](=O)C1=C2NC(=N)SC2=CC=C1~    9.979
4159 [O-][N+](=O)C1=CC2=C(NC(=O)N2)C=C1~   11.701
4160 [O-][N+](=O)C1=CC2=C(OC(=N)N2)C=C1~   11.012
4161 OC1=NC(=C(C=N1)C(=O)CSC#N)O~   16.366
4162 [O-][N+](=O)C1=CC(=C(NC(S)=S)C=C1)[N+]([O-])=O~    7.821
4164 ON=CC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~   11.255
4166 CC1=C(C(=C(C=C1[N+]([O-])=O)[N+]([O-])=O)O)[N+]([O-])=O~    9.921
4167 COC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O~   10.708
4168 SC1=C2C=CC=CC2=NN=N1~    6.367
4169 NC1=NC2=C(C=N1)N=C(C(O)=O)C(=N2)O~   15.292
4170 NC1=NC(=C2N=C(C(O)=O)C(=NC2=N1)O)O~   19.275
4176 N#CNC1=CC=CC=C1~    4.738
4177 CC1=C(C=NC=C1)C#N~    7.124
4178 CC1=CC=CC(=N1)C#N~    7.124
4179 N1N=CC2=CC=CC=C12~    6.444
4180 O=C1NNC2=C1C=CC=C2~   10.635
4181 O=C1NC2=CC=CC=C2N1~    9.298
4182 CC1=NC(=C(C=C1)C#N)O~   11.107
4183 N=C1NC2=CC=CC=C2O1~    8.609
4184 CC1=C(C#N)C(=NC(=C1)O)O~   15.089
4185 NC1=CC=C2OC(=O)NC2=C1~   10.886
4186 [O-][N+](=O)C1=CC=C(C=C1)N=C~    5.318
4187 ON=CC1=CC(=CC=C1)[N+]([O-])=O~    8.851
4188 NC(=O)C1=CC=C(C=C1)[N+]([O-])=O~   11.058
4189 ON=CC1=C(O)C=CC(=C1)N=O~   12.410
4190 O=C1N[CH](C(=O)N1)C2=CC=CO2~    9.900
4191 [O-][N+](=O)C1=CC=C(NC=O)C=C1~   10.478
4192 NC(=O)C1=CC(=CC=C1)[N+]([O-])=O~   11.058
4193 NC1=C(C=CC=C1[N+]([O-])=O)C(O)=O~   11.480
4194 CC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O~    7.033
4196 ONC(=O)C1=CC=C(C=C1)[N+]([O-])=O~   13.757
4197 NC1=CC=C(C=C1C(O)=O)[N+]([O-])=O~   12.821
4198 NC1=C(C=CC(=C1)C(O)=O)[N+]([O-])=O~   11.480
4199 NC1=C(C=C(C=C1)C(O)=O)[N+]([O-])=O~   11.480
4200 NC1=CC=CC(=C1C(O)=O)[N+]([O-])=O~   12.821
4201 NC1=CC(=C(C=C1)C(O)=O)[N+]([O-])=O~   12.821
4202 NC1=CC(=CC(=C1)[N+]([O-])=O)C(O)=O~   12.821
4203 ON=CC1=CC(=CC=C1O)[N+]([O-])=O~   12.833
4204 CSC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~    8.613
4205 CC1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O~    7.516
4206 COC1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O~    8.305
4207 COC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~    8.305
4208 CC1=C(O)C=C(C=C1[N+]([O-])=O)[N+]([O-])=O~   11.016
4209 CC1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O~    7.516
4210 CS(=O)(=O)OC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~   10.635
4211 CC1=C(C=C(C=C1[N+]([O-])=O)S(O)(=O)=O)[N+]([O-])=O~   13.365
4212 CC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)S(O)(=O)=O~   13.365
4213 N=C1NC2=CC=CC=C2S1~    8.917
4218 S=C1NC2=CC=CC=C2N1~    6.662
4220 NC1=CC=C2NC(=S)SC2=C1~    8.368
4221 N1N=NN=C1C2=CC=CC=C2~    7.329
4222 OC(=O)CN1C=NC2=C1N=CN=C2~   13.502
4223 OC(=O)CSC1=C2N=CNC2=NC=N1~   14.777
4225 OC1=NC(=C(C=N1)C2=CSC(=N)N2)O~   20.565
4226 OC(=O)CSC1=NC2=CN=CN=C2N1~   16.367
4227 OC(=O)CN1C=NC2=C1N=CN=C2O~   17.484
4228 CC1=NC2=C(O)N=C(O)N=C2N=C1O~   21.717
4229 [O-][N+](=O)C1=CC(=C(NN=C)C=C1)[N+]([O-])=O~    8.762
4230 NC(=O)C(=O)NN=CC1=CC=C(O1)[N+]([O-])=O~   13.870
4231 NNC(=O)C(=O)N=CC1=CC=C(O1)[N+]([O-])=O~   13.870
4232 S=C1NNC(=N1)C2=CC=NC=C2~   10.488
4234 C1CN2C=NC3=C2C(=NC=N3)S1~    8.674
4235 C1CN2C(=NC3=C2C=NC=N3)S1~   10.264
4236 C1CN2C(=NC3=C2N=CN=C3)S1~   10.264
4237 N(C1=NN=NS1)C2=CC=CC=C2~    8.860
4238 S=C1N=NNN1C2=CC=CC=C2~    5.851
4239 [O-][N+](=O)C1=CC=CC(=C1)N2NN=NC2=N~   12.085
4240 NC1=NC(=NC(=N1)C2=CC=C(O2)[N+]([O-])=O)N~   12.790
4243 CC1=CC(=O)C=CC1=O~    8.719
4246 OC1=CC=C(C=O)C=C1~    8.854
4247 OC1=CC=CC(=C1)C=O~    8.854
4248 OC(=O)C1=CC=CC=C1~    6.967
4250 C1OC2=C(O1)C=CC=C2~    5.203
4251 OC1=C(C=O)C=CC=C1~    5.754
4252 OC(=O)C1=C(S)C=CC=C1~    7.979
4253 OC(=O)C=CC1=CC=CS1~    8.153
4254 OC(=O)C1=CC(=CC=C1)S~    7.979
4255 OC(=O)C1=CC=C(S)C=C1~    7.979
4256 OC(=O)C1=C(O)C=CC=C1~    7.848
4258 OC(=O)C1=CC=C(O)C=C1~   10.947
4259 OC1=CC(=C(C=O)C=C1)O~    9.738
4260 OC1=C(O)C=C(C=O)C=C1~   12.839
4262 OC(=O)C(=S)CC1=CC=CO1~    7.426
4263 O=S1(=O)OCC2=CC=CC=C12~    6.530
4269 OC1=C(O)C(=C(C=O)C=C1)O~   13.721
4270 OC(=O)C1=CC(=CC(=C1)O)O~   14.932
4272 OC(=O)C1=C(O)C(=CC=C1)O~   11.830
4274 COC(=O)C1=COC(=O)C=C1~    6.336
4275 OC1=CC(=C(C=O)C(=C1)O)O~   10.620
4276 OC(=O)C1=C(O)C=CC(=C1)O~   11.830
4277 OC(=O)C1=C(O)C=CC=C1O~    8.730
4278 OS(=O)(=O)C1=CC(=CC=C1)C=O~   11.203
4280 OC(=O)C1=C(O)C=C(O)C(=C1)O~   15.812
4282 OC(=O)C1=C(O)C(=C(O)C=C1)O~   15.812
4283 OC(=O)C1=C(O)C=C(O)C=C1O~   12.712
4285 OC(=O)C1=CC=CC(=C1)S(O)(=O)=O~   13.296
4286 OC(=O)C1=CC=C(C=C1)S(O)(=O)=O~   13.296
4287 OC(=O)C1=C(C=CC=C1)S(O)(=O)=O~   13.296
4288 OC(=O)C1=C(O)C=CC(=C1)S(O)(=O)=O~   14.178
4290 C=CC1=CC=NC=C1~    5.441
4291 CC(=O)C1=CC=NC=C1~    7.893
4294 O=CNC1=CC=CC=C1~    8.073
4295 CC1=CC=CC(=N1)C=O~    7.712
4296 CC(=O)C1=CC=CC=N1~    7.893
4298 NC1=CC=CC(=C1)C=O~    8.323
4299 NC1=CC=C(C=O)C=C1~    8.323
4300 ON=CC1=CC=C(O)C=C1~   10.429
4302 COC(=O)C1=CC=CC=N1~    7.343
4304 ONC(=O)C1=CC=CC=C1~   11.353
4305 [O-][N+](=O)CC1=CC=CC=C1~    5.469
4307 NC(=O)C=CC1=CC=CO1~    9.578
4309 NC1=CC=C(C=C1)C(O)=O~   10.417
4310 CC1=C(C=CC=C1)[N+]([O-])=O~    4.629
4311 CC1=CC(=CC=C1)[N+]([O-])=O~    4.629
4312 CC1=CC=C(C=C1)[N+]([O-])=O~    4.629
4313 COC(=O)C1=CC=CN=C1~    7.343
4314 NC1=CC=CC(=C1)C(O)=O~   10.417
4315 COC(=O)C1=CC=NC=C1~    7.343
4316 CC1=C(C=CC(=C1)O)N=O~    8.189
4317 CC1=C(C=NC=C1)C(O)=O~    9.804
4318 CC1=CC=CC(=N1)C(O)=O~    9.804
4320 NC1=C(C=CC=C1)C(O)=O~   10.417
4322 CC(=CC1=CC=CS1)[N+]([O-])=O~    5.529
4326 ON=CC1=C(O)C=C(O)C=C1~   14.412
4327 COC1=CC=CC(=C1)[N+]([O-])=O~    5.900
4329 ONC(=O)C1=C(O)C=CC=C1~   12.236
4331 OCC1=CC(=CC=C1)[N+]([O-])=O~    9.067
4333 COC1=C(C=CC=C1)[N+]([O-])=O~    5.900
4334 COC1=CC=C(C=C1)[N+]([O-])=O~    5.900
4335 CC1=NC(=C(C=C1)C(O)=O)O~   10.688
4337 CC1=C(C=CC=C1O)[N+]([O-])=O~    8.613
4338 CC1=CC=CC(=C1O)[N+]([O-])=O~    5.112
4339 CC(=CC1=CC=CO1)[N+]([O-])=O~    5.265
4340 NC1=CC(=C(O)C=C1)C(O)=O~   11.299
4341 COC(=O)C1=CC=[N+]([O-])C=C1~   12.343
4342 CC1=CC(=CC(=C1)O)[N+]([O-])=O~    8.613
4345 CC1=C(C(=CC=C1)O)[N+]([O-])=O~    5.112
4349 NC(=O)C1=CC(=C(O)C(=C1)O)O~   20.604
4350 COC1=CC(=C(C=C1)[N+]([O-])=O)O~    6.383
4351 CC(=O)OCN1C(=O)C=CC1=O~    9.180
4353 COC1=CC(=CC=C1O)[N+]([O-])=O~    9.883
4354 NC1=CC(=C(C(O)=O)C(=C1)O)O~   12.182
4355 ON=C(CC1=CC=CO1)C(O)=O~   10.154
4357 NS(=O)(=O)C1=CC=C(C=C1)C(O)=O~   11.071
4358 NS(=O)(=O)C1=CC(=CC=C1)C(O)=O~   11.071
4359 CCSC(=O)C1=CC=C(O1)[N+]([O-])=O~    7.190
4360 NC1=CC=C(C=C1)S(=O)(=O)C(O)=O~   12.412
4361 CC(=O)OCC1=CC=C(O1)[N+]([O-])=O~    7.254
4365 CC1=C(C=C(C=C1)[N+]([O-])=O)S(O)(=O)=O~   10.959
4366 NC1=CC(=C(O)C(=C1)C(O)=O)S(O)(=O)=O~   17.631
4367 SC(=S)NC1=CC=CC=C1~    4.352
4370 CN1N=C2C=CC=CC2=N1~    5.504
4371 NC1=CC2=C(NC=N2)C=C1~    9.886
4373 [N-]=[N+]=NCC1=CC=CC=C1~    4.845
4374 N=C1NC2=CC=CC=C2N1~   10.491
4376 NC1=CC2=C(NN=C2)C=C1~    9.896
4377 N=C1NNC2=C1C=CC=C2~    9.717
4378 NC1=C2C=NNC2=CC=C1~    9.896
4379 NN1C=NC2=C1C=CC=C2~    9.303
4380 OCN1N=NC2=CC=CC=C12~    9.943
4381 NC1=CC=C2OC(=N)NC2=C1~   12.060
4382 SC(=S)NNC(=O)C1=CC=NC=C1~   12.548
4383 NC(=O)N(N=O)C1=CC=CC=C1~    9.635
4384 NC(=O)NC(=O)C1=CC=CN=C1~   13.553
4385 NN=CC1=CC(=CC=C1)[N+]([O-])=O~    8.532
4386 NN=CC1=CC=C(C=C1)[N+]([O-])=O~    8.532
4387 OC1=C[N+](=NO1)C2=CN=CC=C2~   19.943
4388 NS(=O)(=O)C1=NC2=CC=CC=C2N1~   10.542
4389 NC1=C(SC#N)C=C(C=C1)S(N)(=O)=O~   12.614
4390 NNC(=O)C1=CC(=CC=C1)[N+]([O-])=O~   13.438
4391 NNC(=O)C1=CC=C(C=C1)[N+]([O-])=O~   13.438
4392 OC(=O)CN(N=O)C1=CC=CN=C1~   12.028
4393 CC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O~   11.022
4394 CC1=C(C=C(N)C=C1[N+]([O-])=O)[N+]([O-])=O~   10.485
4395 CNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~    8.848
4396 COC1=CC(=C(N)C(=C1)[N+]([O-])=O)[N+]([O-])=O~    7.987
4397 COC1=C(C(=C(N)C=C1)[N+]([O-])=O)[N+]([O-])=O~   10.416
4399 NC1=CC=C2NC(=S)NC2=C1~   10.113
4400 NC1=CC=C2NC(=N)SC2=C1~   12.368
4401 NC(=S)C1=NC(=CC=C1)C(N)=S~   13.428
4402 N=C1N=NNN1C2=CC=CC=C2~    9.682
4403 NC1=NC(=NC(=N1)N)C2=CC=CO2~   10.387
4404 CC1=NC2=NC(=NC(=C2N=C1)O)N~   13.654
4405 NC(=O)CN1C=NC2=C1N=CN=C2~   15.192
4406 CC(=O)NC1=C2N=CNC2=NC=N1~   15.644
4409 OC(=O)CNC1=C2N=CNC2=NC=N1~   16.640
4410 OC(=O)CNC1=C2C=NNC2=NC=N1~   16.648
4411 CN1C(=O)N(C)C2=C(N=NC(=N2)S)C1=O~   11.699
4412 NC1=NC2=C(N=CN2)C(=N1)SCC(O)=O~   14.678
4413 NC1=C2N=CNC2=NC(=N1)SCC(O)=O~   18.228
4414 CN1C(=O)N(C)C2=C(N=NC(=N2)O)C1=O~   16.258
4415 NC1=NC(=CC(=N1)O)N=C[CH](C=O)[N+]([O-])=O~   16.220
4417 CN1C(=O)N(C)C2=C(N=C(N2)[N+]([O-])=O)C1=O~   14.179
4419 CN1C(=O)N(C)C2=C(N=C(N2)[N+]#N)C1=O~   12.759
4420 NC(=O)C1=NC2=C(N)N=CN=C2N=C1N~   23.101
4421 C1C2C=CC1C=C2~    1.218
4422 NC(=N)C1=CC=CC=C1~    7.738
4423 C[N+]1=CC=CC(=C1)C#N~   11.839
4425 CN(N=O)C1=CC=CC=C1~    5.316
4426 NNC(=O)C1=CC=CC=C1~   11.034
4429 CCOC(C)=C(C#N)C#N~    7.228
4430 ONC(=N)C1=CC=CC=C1~   10.434
4431 NC(=O)CC1=CC=NC=C1~   11.928
4432 NC(=O)CC1=CC=CC=N1~   11.928
4433 OC1=C2CCCC2=NC=N1~    9.666
4434 CC(=O)NC1=CC=CC=N1~   11.093
4435 CC1=C(C=NO)C=NC=C1~    9.287
4437 ONC=NC1=CC=CC=C1~    9.600
4438 NC(=O)C1=CC(=CC=C1)N~   12.106
4439 NC(=O)C1=CC=C(N)C=C1~   12.106
4441 CC1=C(NC=O)N=CC=C1~   10.914
4443 OC1=C2CCCC2=NC(=N1)S~    9.088
4445 NC(=S)NC1=C(O)C=CC=C1~   11.042
4446 O=C(SC1=NCCS1)SC2=NCCS2~   11.123
4447 NNC1=C(C=CC=C1)C(O)=O~   12.796
4450 NNC(=O)C1=C(O)C=CC=C1~   11.917
4451 CNC1=CC(=CC=C1)[N+]([O-])=O~    7.783
4454 NNC1=CC=C(C=C1)C(O)=O~   12.796
4455 CNC1=CC=C(C=C1)[N+]([O-])=O~    7.783
4456 CC1=CC(=CC=C1N)[N+]([O-])=O~    8.081
4457 CC1=C(C=C(N)C=C1)[N+]([O-])=O~    8.081
4458 CC1=CC=C(C=C1N)[N+]([O-])=O~    8.081
4459 NC(=O)NC1=CC=CC(=C1)O~   13.678
4460 CC1=C(C=CC(=C1)N)[N+]([O-])=O~    8.081
4463 CC1=CC(=C(C=C1)[N+]([O-])=O)N~    6.742
4464 COC(=O)NC1=CC=CC=N1~   10.544
4465 COC(=O)NC1=CC=CN=C1~   10.544
4466 COC(=O)C1=CC(=NC=C1)N~   10.793
4467 O=C1CCC(=O)N1CCC#N~   10.514
4468 OC(=O)CNC1=CN=CC=C1~   12.090
4469 O=C1CC(CC#N)CC(=O)N1~   10.733
4470 NC(=N)SC1=C(O)C=CC(=C1)O~   17.280
4471 CSC1=NC(=C(C=N1)C(O)=O)SC~   10.122
4472 COC1=CC(=CC=C1N)[N+]([O-])=O~    9.353
4473 CC1=CC(=CC(=[N+]1[O-])C)[N+]([O-])=O~   12.470
4474 COC1=CC=C(N)C(=C1)[N+]([O-])=O~    8.012
4475 COC1=CC=C(C=C1N)[N+]([O-])=O~    9.353
4476 NC1=CC(=C(C=C1)C(=O)NO)O~   15.688
4477 COC1=NC(=C(C=C1)[N+]([O-])=O)C~    7.780
4479 CCOC(=O)C1=C(O)N=C(S)N=C1~    7.910
4480 NC(=O)C1=CC=C(C=C1)S(N)(=O)=O~   12.759
4484 COC1=CC(=NC(=N1)SC)C(O)=O~   10.445
4485 CC1C(=O)NC(=O)CC(=O)NC1=O~   16.903
4488 CCOC(=O)C1=CC(=CN1)[N+]([O-])=O~    9.514
4489 CC(=O)NC1=CC=C(N=C1)S(O)(=O)=O~   15.833
4490 CC1=CC=C(C=C1[N+]([O-])=O)S(N)(=O)=O~    8.735
4492 CC1=C(C=C(C=C1)[N+]([O-])=O)S(N)(=O)=O~    8.735
4493 NC(=S)NC1=CC=CC=C1~    7.060
4494 NC(=S)C1=CC=C(N)C=C1~    9.860
4497 SC1=C2CCCC2=NC=N1~    5.105
4498 CC1=NC(=C(CC#N)S1)C~    8.670
4499 SC(=S)NNC1=CC=CC=C1~    6.730
4500 SC1=NC(=C2CCCC2=N1)S~    4.529
4501 CCN1C=NC2=C1N=CN=C2~    8.250
4503 NNC1=NC2=CC=CC=C2N1~   12.267
4504 CCC1=NC2=CN=CN=C2N1~    9.536
4505 CN1N=CC(=C1NC(C)=O)C#N~   12.059
4506 CCC(=O)NC1=C(C=NN1)C#N~   13.266
4507 COC1=C2C=NN(C)C2=NC=N1~    8.648
4509 CC(=O)NC1=C(C#N)C(=NN1)C~   13.346
4510 CC1=NC(=C2C(=NNC2=N1)C)O~   13.607
4511 CCOC1=C2C=NNC2=NC=N1~    9.854
4513 CCN1C=NC2=C1N=CN=C2O~   12.233
4516 CC1=NC2=C(O)N=C(C)N=C2N1~   13.599
4518 CCN1C=NC2=C(N=CN2)C1=O~   12.130
4519 CSC1=NC2=C(C=NN2C)C(=N1)O~   12.309
4520 NC(=S)NNC(=O)C1=CC=NC=C1~   15.256
4521 NC(=S)NNC(=O)C1=CC=CN=C1~   15.256
4525 CCSC1=C2N=CNC2=NC(=N1)O~   13.507
4526 CSC1=NC2=C(O)N=C(C)N=C2N1~   15.177
4527 OCCSC1=C2N=CNC2=NC=N1~   13.963
4528 CSC1=NC2=C(O)N=C(SC)N=C2N1~   15.166
4529 CN1C(=O)N(C)C2=C(N=CN2)C1=O~   11.775
4530 COC1=NC(=C2N=CNC2=N1)OC~   10.238
4531 CN1C=NC2=C1C(=O)NC(=O)N2C~   10.788
4532 OCCN1N=CC2=C1N=CN=C2O~   16.678
4534 CN1C(=O)N(C)C2=C(NC(=S)N2)C1=O~   10.402
4535 CSC1=NC2=C(N=C(O)N=C2O)N1C~   17.873
4536 CCS(=O)(=O)C1=C2N=CNC2=NC=N1~   11.625
4537 CSC1=C2NC(=O)NC2=NC(=N1)S(C)(=O)=O~   14.554
4538 CC(=NNC(N)=O)C1=CC=C(O1)[N+]([O-])=O~   12.385
4539 CN(N=CC1=CC=C(O1)[N+]([O-])=O)C(N)=O~   12.167
4540 CNC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O~   12.167
4542 CNC(=S)NNC(=O)C1=CC=C(O1)[N+]([O-])=O~   14.437
4543 CS(=O)(=O)C1=NC(=C2N=CNC2=N1)S(C)(=O)=O~   13.793
4544 CS(=O)(=O)C1=NC(=C2NC(=O)NC2=N1)S(C)(=O)=O~   16.654
4545 NC(=S)NN=CC1=CC=CC=N1~   10.351
4546 NC(=S)NN=CC1=CC=CN=C1~   10.351
4547 NC(=S)NN=CC1=CC=NC=C1~   10.351
4548 CN1N=CC2=C(S)N=C(C)N=C12~    7.762
4549 CCSC1=C2N=CNC2=NC=N1~    9.524
4550 CCN1C=NC2=C1N=CN=C2S~    7.674
4552 CSC1=C2N(C)C=NC2=NC=N1~    8.319
4553 CSC1=C2N=C(C)NC2=NC=N1~    9.604
4554 CCC1=NC2=C(S)N=CN=C2N1~    8.959
4555 CCC1=NC(=C2N=CNC2=N1)S~    8.959
4556 CCSC1=C2C=NNC2=NC=N1~    9.532
4557 CSC1=C2N=CN(C)C2=NC=N1~    8.319
4558 CCN1C(=S)NC2=C1N=CN=C2~    8.492
4559 CSC1=NC(=C2C=NNC2=N1)SC~    9.600
4561 CSC1=NC2=C(SC)N=CN=C2N1~   11.183
4562 CSC1=C2NC=NC2=C(SC)N=N1~    9.600
4563 CCSC1=C2N=CNC2=C(S)N=N1~    8.955
4564 CSC1=NC2=C(N1)C=NC(=N2)SC~   11.183
4565 CSC1=NC(=C2N=CNC2=N1)SC~    9.593
4567 CC1=NC2=C(N)N=C(N)N=C2N=C1O~   17.105
4568 NC(=O)CN1C=NC2=C1N=CN=C2N~   18.644
4569 NNC(=O)CN1C=NC2=C1N=CN=C2~   17.570
4571 NNC(=O)CN1C=NC2=C1N=CN=C2S~   16.996
4572 NC(=O)CSC1=C2N=CNC2=NC(=N1)N~   16.368
4574 OCCSN=NC1=NC2=C(O)N=CN=C2N1~   19.767
4576 NC1=NC2=C(N=NN2)C(=N1)SCC=C~    9.830
4577 NC(=O)C1=NC2=C(N)N=C(N)N=C2N=C1N~   23.003
4578 CC1=CC=C(O)C=C1~    6.208
4580 OCC1=CC=CC=C1~    6.664
4581 CC1=CC(=CC=C1)O~    6.208
4583 CC1=C(O)C=CC=C1~    6.208
4584 OCC1=C(O)C=CC=C1~   10.646
4585 COC1=C(O)C=CC=C1~    7.479
4586 COC1=CC=C(O)C=C1~    7.479
4587 CC1=C(O)C=CC(=C1)O~   10.191
4590 CC1=CC(=C(O)C=C1)O~   10.191
4592 COC1=CC(=CC=C1)O~    7.479
4595 CC1=CC(=O)C=C(C)O1~    5.082
4596 CCOC(=O)C1=CC=CS1~    4.602
4598 CCOC(=O)C1=CC=CO1~    4.337
4599 CC(=O)OCC1=CC=CO1~    4.851
4600 C[CH]1OC=CC=C1C(O)=O~    7.631
4602 CC1=CC(=O)C(=C(C)O1)O~    4.987
4603 COC1=COC(=CC1=O)C~    5.458
4607 CC1=CC=C(C=C1)S(O)(=O)=O~    8.556
4609 O=C1CCC2(CCC(=O)O2)O1~    6.845
4610 O=C1OCCC12CCOC2=O~    6.845
4611 COC1=COC(=CC1=O)CO~    9.896
4613 CC1=CC(=O)O[CH]1CC(O)=O~    9.128
4614 CC1=C(O)C=CC(=C1)S(O)(=O)=O~   12.539
4615 CC1=CC(=C(O)C=C1)S(O)(=O)=O~   12.539
4616 O[CH](C1=CC=CC=C1)S(O)(=O)=O~   13.429
4621 CC1=CC=C(S)C=C1~    3.240
4622 SCC1=CC=CC=C1~    3.676
4623 CC1=CC(=C(S)C=C1)S~    4.253
4624 C=CCSC1=CSC=C1~    3.951
4626 CCC1=CC=CC=N1~    4.987
4627 CCC1=CC=NC=C1~    4.987
4628 CC1=NC(=CC=C1)C~    5.066
4629 CC1=CC(=NC=C1)C~    5.066
4630 CC1=C(C)N=CC=C1~    5.066
4631 CNC1=CC=CC=C1~    5.379
4632 CC1=C(C)C=NC=C1~    5.066
4633 CC1=CC=C(C)N=C1~    5.066
4634 N#C[CH]1CCC=CC1~    4.311
4635 NCC1=CC=CC=C1~    6.213
4636 CC1=C(N)C=CC=C1~    5.678
4637 CC1=CC(=CC=C1)N~    5.678
4638 CC1=CC=C(N)C=C1~    5.678
4639 OCCC1=CC=NC=C1~    9.423
4641 OCCC1=CC=CC=N1~    9.423
4643 COC1=C(N)C=CC=C1~    6.947
4644 NOCC1=CC=CC=C1~    6.747
4645 CNC1=CC=C(O)C=C1~    9.362
4646 CC1=CC(=C(O)C=C1)N~    9.660
4647 COC1=CC(=CC=C1)N~    6.947
4648 COC1=CC=C(N)C=C1~    6.947
4649 OCCC1=CC=CN=C1~    9.423
4651 CC1=[N+]([O-])C(=CC=C1)C~   10.066
4652 CC1=CC(=C(C)N1)C=O~    7.561
4653 CC1=C(CO)C=NC=C1~    9.503
4654 CN1C(=O)SC2=C1CCC2~    4.983
4656 COC1=CC(=C(N)C=C1)S~    7.963
4657 [O-][N+](=O)[CH]1C[CH]2C[CH]1C=C2~    4.405
4658 OCC1=NC(=CC=C1)CO~   10.939
4659 CC(C)N1C(=O)C=CC1=O~    7.611
4661 CC(=C)C(=O)OCCC#N~    7.098
4662 OC(=O)C[N+]1=CC=CC=C1~   14.951
4663 O=C1NC(=O)[CH]2CC[CH]1C2~    7.583
4665 N[CH](CC1=CC=CS1)C(O)=O~   10.184
4666 CC1=C(C=CC=C1)S(N)(=O)=O~    6.332
4667 N[CH](CC1=CSC=C1)C(O)=O~   10.184
4668 CC1=CC=C(C=C1)S(N)(=O)=O~    6.332
4669 CS(=O)(=O)NC1=CC=CC=C1~    5.932
4670 CNS(=O)(=O)C1=CC=CC=C1~    6.033
4671 CS(=O)(=O)C1=CC=C(N)C=C1~    9.356
4674 CC(=O)CC(=O)SC1=NCCS1~   10.886
4675 CC1=C(C)N(CC(O)=O)C(=S)S1~    7.081
4676 COC1=CNC(=CC1=O)CO~   12.770
4680 OS(=O)(=O)CNC1=CC=CC=C1~    9.476
4681 CC1=C(N)C=C(C=C1)S(O)(=O)=O~   12.008
4682 CC1=C(C=C(N)C=C1)S(O)(=O)=O~   12.008
4683 COC(=O)C[CH](C#N)C(=O)OC~    9.638
4686 OC(=O)CC1CC(=O)NC(=O)C1~   12.479
4687 COC1=C(C=C(N)C=C1)S(O)(=O)=O~   13.279
4688 COC(=O)C(=NO)C(=O)CCC(O)=O~   14.854
4690 CCSC1=CC=CC=N1~    4.975
4691 CSC1=C(N)C=CC=C1~    7.256
4692 C1C[N+]2=C(S1)C=CC=C2~   10.124
4693 SCCC1=NC=CC=C1~    6.435
4694 SCCC1=CC=NC=C1~    6.435
4695 NC1=NC2=C(CCC2)C=N1~    5.583
4696 NC1=C2CCCC2=NC=N1~    9.134
4697 NNC(=O)C1=CC=C(N)C=C1~   14.485
4699 NC(=O)NNC1=CC=CC=C1~   12.075
4700 NC(=O)NC1=CC=C(N)C=C1~   13.148
4701 NNC(=O)CC1=CC=CN=C1~   14.306
4702 NNC(=O)NC1=CC=CC=C1~   12.075
4703 CC1=C(C=NC=C1)C(=O)NN~   13.873
4704 NC1=NC(=C2CCCC2=N1)O~    9.567
4705 NNC(=O)C1=CC(=CC=C1)N~   14.485
4706 CN(CC1=CC=CC=N1)N=O~    9.664
4707 CN(CC1=CC=CN=C1)N=O~    9.664
4709 NC1=C(NNC=O)C=CC=C1~   13.903
4710 CC(=NNC(N)=O)C1=CC=CS1~   10.246
4711 NNC(=O)C1=C(O)C=CC(=C1)N~   15.369
4712 CC1=NC(=C(N=C1C)C(O)=O)N~   13.597
4713 CC(=NNC(N)=O)C1=CC=CO1~    9.983
4714 CCOC(=O)NC1=NC=CC=N1~    7.254
4715 CCOC(=O)C1=C(N)N=C(S)N=C1~   10.478
4716 NC(=N)C1=CC=C(C=C1)S(N)(=O)=O~   11.842
4717 NC(=S)NNS(=O)(=O)C1=CC=CC=C1~   10.093
4718 CCOC(=O)C1=C(N)N=C(O)N=C1~   15.037
4719 CCOC(=O)C(=CNC(N)=O)C#N~   14.206
4720 COC(=O)CC1=C(N=CN1)C(N)=O~   14.391
4721 CCOC(=O)C1=CC(=NC(=N1)N)O~   11.487
4722 COC(=O)CC1=C(NC(=O)N1)C(N)=O~   16.818
4723 OCCNOC1=CC(=O)C(=N)C(=O)N1~   17.735
4724 CCOC(=O)NC1=C(O)N=C(O)N=C1~   18.770
4725 OCCNC(=O)C1=C(O)N=C(O)N=C1~   20.759
4727 NC(=S)NC1=C(N)C=CC=C1~   10.511
4728 NC(=S)NNC1=CC=CC=C1~    9.439
4731 CC1=CC=C(S1)C=NNC(N)=S~    7.690
4734 CNC1=C2C=NN(C)C2=NC=N1~   11.491
4735 CN1N=C(C)C2=C(N)N=CN=C12~   11.790
4737 CN1N=CC2=C(N)N=C(C)N=C12~   11.790
4740 CCN1C=NC2=C1N=CN=C2N~   11.701
4741 NC(=N)NN=CC1=CC=CN=C1~   14.180
4742 CN(C)C1=C2NN=CC2=NC=N1~   11.509
4743 CNC1=C2N(C)C=NC2=NC=N1~   11.483
4744 CNC1=C2N=C(C)NC2=NC=N1~   12.770
4745 CNC1=CC(=NN2C=NN=C12)C~   11.495
4747 CN1C=NC2=C(C=NN2C)C1=N~   10.012
4748 NC1=NC=NC2=C1C=NN2CCO~   16.146
4749 OCCNC1=C2N=CNC2=NC=N1~   17.126
4750 CNC1=NC2=C(C=NN2C)C(=N1)O~   11.924
4751 CN(C)C1=NC(=C2C=NNC2=N1)O~   11.939
4752 CN(C)C1=C2N=CNC2=NC(=N1)O~   15.483
4754 CNC1=C2N=C(NC2=NC=N1)OC~   14.040
4755 CCOC1=C2N=CNC2=NC(=N1)N~    9.750
4756 OCCNC1=C2C=NNC2=NC=N1~   17.134
4757 NC1=C2N=CNC2=NC(=N1)SCCO~   17.413
4759 NC1=C2N=C(NC2=NC=N1)SCCO~   19.003
4760 CN1C(=N)NC2=C1C(=O)NC(=O)N2C~   14.232
4762 NNC(=O)C1=NC(=CC=C1)C(=O)NN~   19.483
4763 NC(=N)NNC1=CC=C(C=C1)[N+]([O-])=O~   15.672
4764 NC1=NC2=C(N=CN2CCO)C(=N1)O~   16.572
4765 CN(C)S(=O)(=O)C1=C2N=CNC2=NC=N1~   11.535
4766 NNC(=S)NN=CC1=CC=CN=C1~   12.730
4767 NNC(=S)NN=CC1=CC=CC=N1~   12.730
4768 CNC1=C2C=NNC2=NC(=N1)SC~   12.764
4769 CN(C)C1=NC(=C2C=NNC2=N1)S~    7.382
4770 CNC1=C2N=CNC2=NC(=N1)SC~   12.757
4771 CN(C)C1=C2N=CNC2=NC(=N1)S~   10.924
4773 CCSC1=NC2=C(N)N=CN=C2N1~   14.565
4774 CSC1=C2N=CN(C)C2=NC(=N1)N~    8.220
4776 SCCNC1=C2N=CNC2=NC=N1~   14.139
4777 CCN1C=NC2=C1N=C(N)N=C2S~    7.575
4778 CSC1=NC2=C(SC)N=C(N)N=C2N1~   11.085
4779 CCNC1=C2NC(=S)SC2=NC(=N1)N~    9.481
4780 CNC(=S)NNC1=C2N=CNC2=NC=N1~   16.530
4781 CC1=CC=C(C=C1)C(N)=N~    7.693
4782 C1CNC2=C(N1)C=CC=C2~    8.845
4783 CC(=O)NC1=CC(=CC=C1)N~   11.662
4785 CC(=O)NC1=CC=C(N)C=C1~   11.662
4786 CC1=CC(=CC=C1)NC(N)=O~    9.654
4787 CN(C)C1=CC=C(C=C1)N=O~    6.048
4788 CC(=O)NNC1=CC=CC=C1~   10.588
4789 CC(=O)NC1=CC(=CC=N1)C~   11.050
4790 CC(=O)NC1=NC(=CC=C1)C~   11.050
4792 CNC(=O)NC1=CC=CC=C1~    9.355
4793 NCC(=O)NC1=CC=CC=C1~   10.896
4794 CC(=O)NC1=C(N)C=CC=C1~   11.662
4795 NNC(=O)CC1=CC=CC=C1~   11.424
4796 OC1=CC2=C(CCCC2)N=N1~    9.548
4799 CN(C)C(=O)C1=CC=NC=C1~   10.854
4800 CNC(=O)C1=CC=C(N)C=C1~   11.764
4802 CCC(=O)CC1=CN=CC=N1~    8.541
4803 CC1=C(NNC=O)C=CC=C1~   10.410
4804 N[CH](C(N)=O)C1=CC=CC=C1~   11.733
4805 CC1=CC(=C(O)C=C1)NC(N)=S~   11.000
4806 CSC1=NC(=C2CCCC2=N1)O~    9.611
4807 NNC(=O)OCC1=CC=CC=C1~   10.876
4808 CN(C)C1=CC(=CC=C1)[N+]([O-])=O~    6.471
4809 CN(C)C1=CC=C(C=C1)[N+]([O-])=O~    6.471
4810 CC1=CC(=C(N)C(=C1)C)[N+]([O-])=O~    6.699
4812 NC1=CC(=C(CC(O)=O)C=C1)N~   14.258
4814 CC1=CC(=C(C=C1N)[N+]([O-])=O)C~    8.039
4816 CNCC1=CC(=CC=C1)[N+]([O-])=O~    8.276
4817 CNCC1=CC=C(C=C1)[N+]([O-])=O~    8.276
4818 NCCC1=CC=C(C=C1)[N+]([O-])=O~    8.495
4819 CC1=CC(=C(N)C(=N1)C)C(O)=O~   13.214
4821 C1C[CH]2N=C3OCC[CH]3N=C2O1~    8.955
4822 OCCNC(=O)C1=CC=CN=C1~   15.510
4823 OCCNC(=O)C1=CC=NC=C1~   15.510
4825 CCOC(=O)NC1=CC=CN=C1~   10.421
4826 CCOC(=O)C1=CC=C(N)N=C1~   10.672
4827 CCOC(=O)NC1=CC=CC=N1~   10.421
4828 NCC(=O)NC1=CC=C(O)C=C1~   14.879
4829 NC(=O)NOCC1=CC=CC=C1~    8.854
4830 CC1=CC(=C(C)C=C1N)[N+]([O-])=O~    8.039
4831 CC1=C(N)C(=C(C=C1)[N+]([O-])=O)C~    8.039
4832 NC(=O)CNC1=C(O)C=CC=C1~   14.879
4833 CS(=O)(=O)C1=CC=C(C=C1)C(N)=N~   11.372
4835 COC1=CC(=C(O)C=C1)NC(N)=S~   12.271
4836 COC(=O)NN=C(C)C1=CC=CS1~    8.210
4837 SC(=S)OCCSC1=NN=C(SCCOC(S)=S)S1~   15.783
4838 CCOC1=CC=C(N)C(=C1)[N+]([O-])=O~    7.889
4839 C[CH]([CH](O)C1=CC=NC=C1)[N+]([O-])=O~   12.542
4841 CC1=C(N)C(=C(C=N1)C(O)=O)CO~   17.652
4842 OC(=O)[CH]1CCC(=O)N1CCC#N~   14.588
4843 CNC(=O)OC1=CC(=C[N+](=C1)[O-])C~   15.333
4845 CCOC=C(C#N)C(=O)NC(C)=O~   11.079
4847 CC(=O)NC1=CC=C(C=C1)S(N)(=O)=O~   12.315
4849 CN(N=O)S(=O)(=O)C1=CC=C(C)C=C1~    6.896
4851 CCCSC1=NC(=CC(=N1)C(O)=O)O~   13.914
4852 COC(=O)C1=NC(=NC(=C1)OC)SC~    7.939
4855 COC(=O)CC1=C(N=CN1)C(=O)OC~   10.197
4856 COC1=CC(=C(OC)C=C1N)[N+]([O-])=O~   10.580
4857 OC(=O)[CH]1CCC[C]12NC(=O)NC2=O~   13.796
4858 CN(C)S(=O)(=O)C1=CC=CC(=C1)[N+]([O-])=O~    8.095
4859 CCOC1=CC=C(C=C1)N=NS(O)(=O)=O~    8.587
4860 CCNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O~    8.313
4862 CC(=O)NC1=CC(=C(C=C1)S(O)(=O)=O)N~   17.991
4863 CC(=O)NC1=C(C=C(N)C=C1)S(O)(=O)=O~   17.991
4864 CC(=O)NC1=CC=C(N)C(=C1)S(O)(=O)=O~   17.991
4865 CNS(=O)(=O)C1=CC=C(C)C(=C1)[N+]([O-])=O~    8.394
4866 NC1=CC=C(C=C1)S(=O)(=O)NCC(O)=O~   13.313
4867 COC(=O)CC1=C(NC(=O)N1)C(=O)OC~   12.622
4868 OC(=O)CO[CH]1NN(CC(O)=O)C(=O)C=C1~   18.947
4870 CNC(=S)NC1=CC=CC=C1~    6.719
4871 CC1=C(NC(N)=S)C=CC=C1~    7.017
4872 NC(=N)SCC1=CC=CC=C1~    9.708
4873 NC(=S)NCC1=CC=CC=C1~    7.553
4874 CC1=CC=C(NC(N)=S)C=C1~    7.017
4875 C1CN=C(CC2=CC=CS2)N1~    7.551
4877 CCCN1C(=O)NC=C(C#N)C1=N~   12.382
4879 CC(=NNC(N)=O)C1=CC=CN=C1~   12.863
4881 CN1C=NC2=C(SCCO)N=CN=C12~   12.633
4882 CC1=NC2=C(C=NN2CCO)C(=N1)O~   16.635
4883 CN1C=NC2=C1C(=O)N(C)C(=O)N2C~   10.446
4884 COC1=NC(=C2C=NN(C)C2=N1)OC~    8.917
4885 CN1C(=O)N(C)C2=C(N=C(C)N2)C1=O~   11.733
4887 C[CH](CC(N)=O)C(C#N)(C#N)C(N)=O~   17.967
4888 CN1N=CC2=C1N(C)C(=O)N(C)C2=O~   10.453
4891 CN1C(=O)N(C)C2=C(N(C)C(=S)N2)C1=O~   10.061
4892 CN1C(=O)N(C)C2=C(NC(=S)N2C)C1=O~   10.061
4893 CSC1=NC2=C(N1)N(C)C(=O)N(C)C2=O~   13.311
4894 CCCS(=O)(=O)C1=C2N=CNC2=NC=N1~   11.502
4895 CC1=NC(=C2N=C(NC2=N1)SCCO)O~   19.491
4897 CN1C(=O)N(C)C2=C(N(C)C(=O)N2)C1=O~   15.896
4899 COC1=NC2=C(N1C)C(=O)N(C)C(=O)N2~   12.987
4900 CN1C(=O)N(C)C2=C(N=C(CO)N2)C1=O~   16.169
4901 CNC(=O)N(C)N=CC1=CC=C(O1)[N+]([O-])=O~   11.824
4902 CCC(=NNC(N)=O)C1=CC=C(O1)[N+]([O-])=O~   12.262
4903 CCNC(=S)NNC(=O)C1=CC=C(O1)[N+]([O-])=O~   14.313
4904 O=C1N[CH](CSSC[CH]2NC(=O)NC2=O)C(=O)N1~   21.213
4905 NC(=O)N(CCO)N=CC1=CC=C(O1)[N+]([O-])=O~   16.480
4906 OCCNC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O~   16.480
4907 NNC(=S)NN=CC1=CC=CC=C1~    9.848
4908 CCCSC1=C2N=CNC2=NC=N1~    9.401
4909 CCN1C=NC2=C(SC)N=CN=C12~    8.195
4910 NC(=S)NN=CC1=CC=C(N)C=C1~   10.921
4911 CC(C)SC1=C2N=CNC2=NC=N1~    9.401
4912 CCSC1=C2N=C(C)NC2=NC=N1~    9.481
4913 CCSC1=C2N(C)C=NC2=NC=N1~    8.195
4914 CCCSC1=C2C=NNC2=NC=N1~    9.409
4915 CC(C)SC1=C2C=NNC2=NC=N1~    9.409
4916 CC(=NNC(N)=S)C1=CC=NC=C1~   10.228
4917 CSC1=NC(=C2C=NN(C)C2=N1)SC~    8.271
4918 CCSC1=C2N=C(NC2=NC=N1)SC~   11.060
4920 CSC1=NC2=C(SC)N=C(SC)N=C2N1~   11.128
4921 CN(C)C1=NC(=C2N=CC=NC2=N1)N~   11.511
4922 CC1=NC2=NC(=NC(=C2N=C1C)N)N~   13.079
4923 CC(C)=NNC1=C2N=CNC2=NC=N1~   12.480
4924 NC(=N)NC(=N)NC1=CC=C(C=C1)[N+]([O-])=O~   18.462
4925 CN1C(=O)N(C)C2=C(N=C(NC(N)=S)N2)C1=O~   16.567
4926 ON(O)NC(=N)NN=CC1=C(C=CC=C1)[N+]([O-])=O~   21.476
4928 ON(O)NC(=N)NN=CC1=C(O)C=CC(=C1)[N+]([O-])=O~   25.458
4929 CCC1=NC2=C(N=CN2)C(=N1)NC(N)=S~   14.327
4932 CC1=C(O)C(=CC=C1)C~    6.166
4933 CC1=CC(=C(C)C=C1)O~    6.166
4934 CC1=CC(=C(O)C=C1)C~    6.166
4935 CC1=CC=C(CO)C=C1~    6.620
4936 COC1=C(C)C=CC=C1~    3.453
4937 COC1=CC=C(C)C=C1~    3.453
4938 COC1=CC(=CC=C1)C~    3.453
4940 CCC1=CC(=CC=C1)O~    6.086
4941 CC1=CC(=CC(=C1)O)C~    6.166
4942 CC1=CC=CC(=C1)CO~    6.620
4943 CCC1=C(O)C=CC=C1~    6.086
4944 O=C[CH]1C[CH]2C[CH]1C=C2~    4.197
4947 SCCOC1=CC=CC=C1~    4.824
4948 CCOC1=C(O)C=CC=C1~    7.357
4949 OCCOC1=CC=CC=C1~    7.810
4950 COC1=CC=C(CO)C=C1~    7.889
4951 CCOC1=CC(=CC=C1)O~    7.357
4952 COC1=C(O)C=CC(=C1)C~    7.437
4953 OCC1=CC=C(CO)C=C1~    8.057
4955 COC1=CC=C(OC)C=C1~    4.724
4957 CCOC1=CC=C(O)C=C1~    7.357
4958 CC=CC=CC=CC(O)=O~    6.141
4961 CC(C)C(=O)C1=CC=CO1~    4.762
4964 CC(=O)CSCC1=CC=CO1~    7.371
4968 CC(=C)C[CH]1CC(=O)OC1=O~    4.367
4969 COC(=O)C1=C(C)C(=O)CC1~    7.373
4970 CC(=C)C(=O)OC(=O)C(C)=C~    4.613
4971 CCC(=O)OCC1=CC=CO1~    4.726
4973 CC(C)OC(=O)C1=CC=CO1~    4.215
4974 COC1=CC(=C(C)C(=C1)O)O~   11.419
4975 CCOS(=O)(=O)C1=CC=CC=C1~    5.971
4976 CC1=CC(=C(C=C1)S(O)(=O)=O)C~    8.514
4977 OCCSS(=O)(=O)C1=CC=CC=C1~   10.029
4978 OC(=O)C(=C)CC(=O)OCC=C~    8.848
4979 C=CCOC(=O)C(=O)OCC=C~    5.371
4980 C=CC(=O)OCCOC(=O)C=C~    6.812
4981 O=C1OCC[CH]1[CH]2CCOC2=O~    6.721
4983 COC1=C(O)C(=CC(=C1)O)OC~   12.690
4984 OC(=O)CCC(=O)OOC(=O)CCC(O)=O~   14.056
4985 OC(=O)C[CH]([CH](CC(O)=O)C(O)=O)C(O)=O~   21.278
4988 CSC1=CC=C(C)C=C1~    3.762
4989 CC1=CC(=NC(=C1)C)C~    5.023
4990 CCCC1=CC=CC=N1~    4.863
4991 CCCC1=CC=NC=C1~    4.863
4992 CCC1=CC=C(C)N=C1~    4.943
4995 CC1=C(N)C(=CC=C1)C~    5.635
4997 CN(C)C1=CC=CC=C1~    4.067
4998 CC1=CC(=C(C)C=C1)N~    5.635
4999 CC1=CC(=C(N)C=C1)C~    5.635
5000 CC1=C(C)C(=CC=C1)N~    5.635
5001 CNCC1=CC=CC=C1~    5.873
5003 CCNC1=CC=CC=C1~    5.256
5004 CNC1=C(C)C=CC=C1~    5.336
5007 C=CC[N+]1=CC=CC=C1~    9.703
5008 N#CCC1=CCCCC1~    4.116
5010 CC1=C(CN)C=CC=C1~    6.171
5012 CC(C)C1=CC=CC=N1~    4.863
5013 CC(C)C1=CC=CN=C1~    4.863
5015 N#CC[CH]1CCCC=C1~    4.188
5016 OCCCC1=CC=CC=N1~    9.300
5019 OCCCC1=CC=NC=C1~    9.300
5021 COC1=C(N)C=C(C)C=C1~    6.907
5022 C[CH](O)C1=CC(=CC=C1)N~    9.991
5023 OCCNC1=CC=CC=C1~    9.693
5024 COC1=CC=C(CN)C=C1~    7.441
5027 CC(=O)C1=C(C)NC=C1C~    7.697
5030 NCCC1=CC=C(O)C=C1~   10.073
5031 CNCC1=C(O)C=CC=C1~    9.854
5033 COCCC1=CC=CC=N1~    6.917
5034 C[C]12C[CH](CC[CH]1O2)C#N~    7.042
5035 CC1=C(N)C(=CC(=C1)O)C~    9.618
5036 CC(=O)C1=C(C)NC(=C1)C~    7.697
5037 NC[CH](O)C1=CC=CC=C1~   10.527
5038 C[CH](N)C1=C(O)C=CC=C1~   10.073
5043 CC1=C(O)C(=C(CO)C=N1)C~   13.442
5046 CCOC(=O)CC1=CC=CN1~    7.500
5048 [O-][N+](=O)[CH]1C[CH]2CC[CH]1C=C2~    4.281
5049 O=C1NC(=O)[CH]2CCCC[CH]12~    7.460
5050 CC[N+]1=CC=CC(=C1)C(O)=O~   14.396
5051 COC1=C(OC)C=C(N)C=C1~    8.177
5054 COC(=O)C1=C[N+](=CC=C1)C~   12.014
5055 CC1=[N+](CC(O)=O)C=CC=C1~   14.910
5056 CC1=CC=C[N+](=C1)CC(O)=O~   14.910
5058 COC1=C(CO)C=C(N)C=C1~   11.342
5060 COCC1=CC(=CC(=N1)O)C~   10.979
5061 COC1=C(N)C(=CC=C1)OC~    8.177
5062 COC1=C(OC)C(=CC=C1)N~    8.177
5063 CCCCN1C(=O)C=CC1=O~    7.488
5065 CCNS(=O)(=O)C1=CC=CC=C1~    5.910
5066 CCC1=CC=C(C=C1)S(N)(=O)=O~    6.208
5068 CC1=C(C)C=C(C=C1)S(N)(=O)=O~    6.289
5069 CCS(=O)(=O)C1=CC=C(N)C=C1~    9.233
5071 CS(=O)(=O)NCC1=CC=CC=C1~    6.427
5072 CNS(=O)(=O)C1=CC=C(C)C=C1~    5.991
5073 NC[CH](O)C1=CC(=C(O)C=C1)O~   18.493
5075 CCOC(=O)[CH](CC(C)=O)C#N~   10.064
5077 CCOC=C(C#N)C(=O)OCC~    7.472
5078 CC1=C(O)C(=C(CO)C=N1)CO~   14.879
5081 CN(C)C1=CC=C(C=C1)S(O)(=O)=O~   10.398
5082 CC1=CC(=C(C=C1N)S(O)(=O)=O)C~   11.967
5083 CC1=CC(=C(N)C(=C1)C)S(O)(=O)=O~   11.967
5084 CC1=C(NCS(O)(=O)=O)C=CC=C1~    9.433
5086 CCNC1=CC=CC(=C1)S(O)(=O)=O~   11.587
5087 CC1=CC=CC(=C1)NCS(O)(=O)=O~    9.433
5089 OS(=O)(=O)CNCC1=CC=CC=C1~    9.971
5090 N[CH](CC1=CC=CC=C1)S(O)(=O)=O~   10.188
5092 OC(=O)C=CC(=O)N1CCOCC1~   15.040
5097 CCCSC1=NC=CC=C1~    4.851
5098 CN(C)C(=S)SCC1=CC=CS1~    5.291
5099 CN(C)N=NC1=CC=CC=C1~    6.270
5100 NC1=NC2=C(CCCC2)C=N1~    5.461
5101 CN(C(N)=N)C1=CC=CC=C1~    9.578
5102 CC1=C(NC(N)=N)C=CC=C1~   10.848
5103 CC1=CC=C(NC(N)=N)C=C1~   10.848
5106 NC1=C(O)N=C2CCCC2=C1N~   16.185
5108 NC(=N)NOCC1=CC=CC=C1~   11.917
5109 CC1=CC=C(C=C1)N(N)C(N)=O~   11.062
5112 CC(=O)NNC1=C(N)C=CC=C1~   14.040
5113 COC(=O)C1=C(N)N=C(C)C(=N1)C~   11.092
5114 OC(=O)CN(CCC#N)CCC#N~   14.785
5115 CC1=CC=C(O1)C(C)=NNC(N)=O~    9.939
5116 CCOC(=O)C1=C(N)N=C(C)N=C1~   11.011
5117 OCCNNC(=O)C1=CC=NC=C1~   17.889
5118 NCCNC1=CC=C(C=C1)[N+]([O-])=O~   11.648
5120 CC(=N)NS(=O)(=O)C1=CC=C(N)C=C1~   10.886
5121 CSC(=N)NS(=O)(=O)C1=CC=C(N)C=C1~   12.979
5122 COC1=CC(=CC(=N1)OC)C(=O)NN~   14.453
5123 CCOC(=O)C(=CNC(=O)NC)C#N~   13.863
5125 CS(=O)(=O)NC1=CC=CC(=C1)C(=O)NN~   14.699
5127 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN~   14.695
5128 CCOC(=O)CSC1=C(N=CN1C)[N+]([O-])=O~   10.536
5130 CSC1=C2CCCC2=NC(=N1)N~    5.529
5131 NC(=N)SCCC1=CC=CC=N1~   12.469
5133 CN(C)C1=C2C=NN(C)C2=NC=N1~   10.179
5134 NC(=N)NC(=N)NC1=CC=CC=C1~   16.058
5135 CCCNC1=C2C=NNC2=NC=N1~   12.573
5136 CN(C)C1=NC=NC2=C1NN=C2C~   11.465
5138 CCNC1=C2N=CN(C)C2=NC=N1~   11.361
5139 CC(C)NC1=C2C=NNC2=NC=N1~   12.573
5140 CC(C)N1N=CC2=C1N=CN=C2N~   11.587
5141 CN(C)C1=NC(=C2N=CNC2=N1)C~    7.907
5143 CC(C)N1C=C2C(=N)N=CNC2=N1~   10.108
5144 CN1N=CC2=C(NCCO)N=CN=C12~   15.804
5145 CCNC1=NC2=C(C=NN2C)C(=N1)O~   11.801
5146 CN(C)C1=NC2=C(C=NN2C)C(=N1)O~   10.613
5147 CN(CCO)C1=NC2=C(NC=N2)C=N1~   12.264
5149 CC(C)OC1=C2N=CNC2=NC(=N1)N~    9.625
5150 CN(CCO)C1=C2N=CNC2=NC=N1~   15.815
5151 CCCN1C=NC2=C1N=C(N)N=C2O~   12.011
5153 CN1C=NC2=C(NCCO)N=CN=C12~   15.796
5154 CCCCOC1=C2N=NNC2=NC=N1~   10.000
5157 CNC1=NC2=C(N1)N(C)C(=O)N(C)C2=O~   14.886
5158 CN1C(=O)N(C)C2=C(N=C(CN)N2)C1=O~   15.721
5159 CN1N=CC2=C1N=C(NCCO)N=C2O~   16.237
5160 ON(O)NC(=N)NN=CC1=CC=C(O)C=C1~   23.055
5161 ON(O)NC(=N)N(CC1=CC=CC=C1)N=O~   20.066
5162 NC1=NC=NC(=C1[N+]([O-])=O)N2CCOCC2~   12.674
5164 CSC1=NC(=C2NN=CC2=N1)N(C)C~   11.453
5165 CSC1=NC(=C2N=CNC2=N1)N(C)C~   11.446
5166 CNC1=C2N=C(C)NC2=NC(=N1)SC~   12.714
5167 CSC1=NC2=C(N=CN=C2N1)N(C)C~   13.036
5168 CCCSC1=NC(=NC2=C1N=CN2)N~    9.303
5169 CC(C)SC1=C2N=CNC2=NC(=N1)N~    9.303
5170 CCN1C=NC2=C(SC)N=C(N)N=C12~    8.097
5171 CCSC1=C2N=CN(C)C2=NC(=N1)N~    8.097
5173 NC(=N)NC(=N)NNC(=O)C1=CC=NC=C1~   24.255
5174 C=C[CH]1CCC=CC1~    0.810
5177 NCCC1=CC=C(N)C=C1~    9.542
5178 CC1=CC=CC(=C1NN)C~    8.014
5182 CC(C)(C#N)C(C)(C)C#N~    7.281
5185 CN(C)C1=CC=C(N)C=C1~    7.519
5186 COC1=C(N)C=C(N)C(=C1)C~   10.358
5187 OCCNCC1=CC=CC=N1~   13.069
5189 NNC[CH](O)C1=CC=CC=C1~   12.907
5190 COC1=C(N)C=C(C)C(=C1)N~   10.358
5191 N#CCCOCCSCCC#N~   11.432
5192 NCCNC(=O)CC1=CC=CS1~   12.833
5193 CC1(C)CC(=O)N2CCN=C2S1~   10.886
5197 CCCCC1=C(O)N=C(O)N=C1~   13.088
5198 CCOCC1=C(O)N=C(C)N=C1~   11.240
5199 CCOC1=NC(=NC=C1)OCC~    5.824
5201 NC1=[N+](CCC(O)=O)C=CC=C1~   18.280
5202 O=C1NC(=O)C2(CCCCC2)N1~    8.545
5204 CC1=C(O)C(=C(CO)C=N1)CN~   17.431
5206 O=C(CCC(=O)N1CC1)N2CC2~   10.793
5208 C[CH]1CCC[C]12NC(=O)NC2=O~    8.545
5209 C[C]1(CCC=C)NC(=O)NC1=O~    8.317
5211 CC(C)N1C=C(C)C(=O)NC1=O~    9.279
5212 C=CCNC(=O)C(=O)NCC=C~    9.879
5213 CC[CH](C)C1C(=O)NC(=S)NC1=O~    8.567
5214 NCCC1=CC=C(C=C1)S(N)(=O)=O~   10.197
5215 CN(C)S(=O)(=O)C1=CC(=CC=C1)N~    9.143
5216 CNS(=O)(=O)C1=C(C)C=CC(=C1)N~    9.441
5217 CC1=C(N)C(=CC(=C1)S(N)(=O)=O)C~    9.740
5218 CC1=CC(=C(C(=C1)N)S(N)(=O)=O)C~    9.740
5219 CCC1(CC)C(=O)NC(=O)NC1=S~    9.682
5220 COC(=S)SSC(=S)NCCNC(=S)SSC(=S)OC~   11.166
5224 CCC[C]1(NC(=O)N(C)C1=O)C=O~   11.129
5226 CCN1C(=O)NC(=O)C(C)(C)C1=O~   12.224
5227 CC[C]1(C)C(=O)NC(=O)N(C)C1=O~   12.224
5228 CCC1(CC)C(=O)NC(=O)NC1=O~   12.442
5229 CC[CH](C)C1C(=O)NC(=O)NC1=O~   12.442
5230 CCCCC1C(=O)NC(=O)NC1=O~   12.442
5233 CC1(C)S[CH]2[CH](N)C(=O)N2[CH]1C(O)=O~   13.551
5234 CC(C)OC(=O)C=CC(=O)NC(N)=O~   12.824
5235 CCC1(CCO)C(=O)NC(=O)NC1=O~   16.879
5236 O=C(OCCOC(=O)N1CC1)N2CC2~    9.695
5237 CCOC(=O)C(=CNC(N)=O)C(C)=O~   14.928
5239 CS(=O)(=O)NC1=CC(=CC=C1)NS(C)(=O)=O~    9.599
5240 CS(=O)(=O)NC1=C(NS(C)(=O)=O)C=CC=C1~    9.599
5241 OC(=O)CSC(=S)NCCNC(=S)SCC(O)=O~   17.550
5242 NC1=CC=C(C=C1)S(=O)(=O)NCCS(O)(=O)=O~   16.128
5243 OC(=O)CCC(=O)NNC(=O)CCC(O)=O~   19.631
5244 CC(C)(N=NC(C)(C)C#N)C#N~    9.907
5245 CNC1=C2CCCC2=NC(=N1)N~    8.695
5248 CNC(=O)C1=NC(=NC(=C1)NC)SC~   14.635
5249 ON(O)NC(=N)NCC1=CC=CC=C1~   19.158
5251 CCCNC(=O)NC=C(C#N)C(N)=O~   17.936
5252 CC1=C(SC(=C1C)C(=O)NN)C(=O)NN~   16.777
5253 COC1=CC=C(NC(=N)NN(O)O)C=C1~   19.893
5254 CC1=CC=C(C=C1)S(=O)(=O)NC(=N)NN(O)O~   19.277
5257 CNC1=NC(=C2N=CNC2=N1)N(C)C~   11.061
5258 NC(=N)NC1=CC=C(NC(N)=N)C=C1~   19.510
5259 CNC1=C2N=C(NC2=NC=N1)N(C)C~   14.611
5260 CNC1=NC2=C(N=CN=C2N1)N(C)C~   14.611
5263 CCNC1=C2N=NN(CC)C2=NC=N1~   11.635
5264 CC(C)CNC1=C2N=NNC2=NC=N1~   12.842
5265 CN(C)NC1=C2N=CN(C)C2=NC=N1~   13.521
5266 CN1N=CC2=C1N=C(NCCO)N=C2N~   15.706
5268 CCOC1=NC(=NC2=C1N=NN2CC)N~    8.695
5271 CN1C(=O)N(C)C2=C(N(C)C(=N2)NN)C1=O~   16.277
5272 CCCCN1N=NC2=C1N=C(N)N=C2S~    7.726
5273 CCCCSC1=C2N=NNC2=NC(=N1)N~    9.578
5276 C[CH]1CC(=CC(=O)C1)C~    4.302
5277 CC(=O)C1=CCCCC1~    4.302
5279 C[C](O)(CCC=C)C#C~    5.742
5280 C=C[CH]1CC[CH]2O[CH]2C1~    3.666
5281 CCC1=CC(=O)CCC1~    4.302
5282 CC(=O)[CH]1CCC=CC1~    4.101
5283 C[CH]1CCC(=CC1)C(O)=O~    6.135
5284 CCOC1=CC(=O)CCC1~    5.529
5287 CC[C](C)(OC(C)=O)C#C~    4.048
5289 O=C1C[CH]2CCCC[CH]2O1~    3.851
5290 C[CH]1CC=CC[CH]1C(O)=O~    5.936
5291 CC=CC1OCC=CCO1~    4.148
5293 CC(=O)[CH]1CCCCC1=O~    7.463
5294 CCOC(=O)C=CC=CC~    3.614
5295 OC(=O)CC1=CCCCC1~    5.863
5297 OC=C1CCCCCC1=O~    7.910
5302 COC1=CC[CH](CC1)C=O~    4.996
5303 CC1(C)CC(=O)CC(=O)C1~    7.463
5304 CC1=CO[C](C)(CC1)C=O~    4.147
5305 CCC[CH](OC(C)=O)C#C~    4.048
5312 CC(=O)OC[CH]1CCC=CO1~    4.780
5313 CC(C)(C)[CH]1C(=O)COC1=O~    6.064
5314 CCOC(=O)[CH]1CCCC1=O~    6.914
5315 CC(=C)COC(=O)CC(C)=O~    6.614
5318 CCOC(=O)C1(CC1)C(C)=O~    6.914
5320 C[CH]1CC[C]2(C)O[CH]1OC2=O~    5.959
5321 CCOC(=O)[CH]1CCC=CO1~    3.928
5324 O=C1CCCC2(C1)OCCO2~    7.810
5326 CCOC(=O)C(C(C)=O)C(C)=O~    9.979
5327 OC(=O)C1CCC(CC1)C(O)=O~   11.130
5329 OC(=O)CCCCC=CC(O)=O~   11.103
5330 CCOC(=O)C(=C)C(=O)OCC~    6.613
5332 CCCCC(=CC(O)=O)C(O)=O~   11.305
5334 OC(=O)C(C1CCCC1)C(O)=O~   11.130
5335 C[C]1(CCC[CH]1C(O)=O)C(O)=O~   11.130
5336 OC(=O)[CH]1CCCC[CH]1C(O)=O~   11.130
5337 CC(=C)C(OC(C)=O)OC(C)=O~    6.066
5338 CC=CC(OC(C)=O)OC(C)=O~    6.066
5339 COC(=O)[CH]1CC[CH](C1)C(O)=O~    8.747
5341 CC(=O)CC(=O)OC[CH]1COCO1~   10.324
5342 COC(=O)OCC=CCOC(=O)OC~    4.967
5344 CC(C)(C)CC1=CSSC1=S~    2.258
5345 CC12SC3(C)SC(C)(S1)SC(C)(S2)S3~   13.907
5346 CC(C)(C)C1=CC=CN1~    4.631
5347 CC1=C(C)C=[N+](C)C=C1~    9.738
5348 CCCCN1C=CC=C1~    3.344
5349 CC(C)CC(C)=CC#N~    3.102
5352 CN(C)CC1=CC=C(C)O1~    5.488
5353 CC1(C)CC(=N)CC(=O)C1~    5.569
5354 CC1=CC=C(C)N1CCO~    7.943
5356 CC(=O)N(CC=C)CC=C~    7.032
5357 N#CCCOC[CH]1CCCO1~    9.141
5358 N[CH]([CH]1CCCC=C1)C(O)=O~    8.622
5359 CCC1(CC)CC(=O)NC1=O~    7.104
5360 C=CCOCCOCCC#N~    8.014
5362 [O-][N+](=O)[CH]1CC2CCC1CC2~    4.225
5367 CCCCN1C(=O)CCC1=O~    6.886
5368 CC(C)CN1C(=O)CCC1=O~    6.886
5369 CC[CH](C)N1C(=O)CCC1=O~    6.886
5371 C=CCOC(=O)CCN1CC1~    7.175
5372 CC(=CC1CCCC1)[N+]([O-])=O~    3.583
5373 CCCC(=O)N1CCCC1=O~    6.886
5374 CC(=O)OC[CH](C=C)N1CC1~    7.175
5376 CCCCCOC(=O)CSC#N~    6.489
5377 COC(=O)[CH]1N=C(C)SC1(C)C~    5.595
5378 NC(=O)[CH]1CCCC[CH]1C(O)=O~   12.821
5379 CC(=O)NC1(CCCC1)C(O)=O~   11.302
5380 CCN1C(=O)O[C](C)(CC)C1=O~    5.487
5381 CC(=C)C(=O)OCCNC(C)=O~   10.193
5382 CCOC(=O)[CH]1CCCNC1=O~   10.220
5383 CCCCNC(=O)C=CC(O)=O~   12.848
5384 CC(C)[CH](NC(=O)C=C)C(O)=O~   11.347
5385 CN(C)COC(=S)SC(=O)OCC=C~    7.668
5386 CC1(C)CCC(=O)O[CH]1C[N+]([O-])=O~    6.740
5388 OC(=O)CCC(=O)N1CCOCC1~   14.438
5389 CCOC(=O)C(=CN)C(=O)OCC~   10.280
5391 CCOC(=O)[CH](NC(C)=O)C(C)=O~   11.983
5392 COC(=O)NC1(CCCC1)C(O)=O~   10.752
5394 COC(=O)CN(CC(=O)OC)C(C)=O~    9.914
5396 COC(=O)CCC(=O)[CH](N)C(=O)OC~   12.116
5397 CC(CCC(O)=O)(CCC(O)=O)[N+]([O-])=O~   14.018
5399 CC(=O)N[CH]1[CH](O)[CH](OC1=O)[CH](O)CO~   16.231
5400 CCOC(=O)N[CH](CCC(O)=O)C(O)=O~   15.650
5401 CC(=O)OCC(C)(COC(C)=O)[N+]([O-])=O~    9.253
5402 CC[CH](NC)C1=CC=CS1~    5.889
5404 CC1=CC=[N+](CC(=O)NN)C=C1~   18.979
5406 CCOCC1=C(N)N=C(C)N=C1~   10.710
5407 CCOCC1=C(N)N=C(SC)N=C1~   10.697
5409 CCC1(CC)C(=N)NC(=S)NC1=O~   10.335
5411 CCC1(CC)C(=N)NC(=O)NC1=O~   11.012
5413 CCN(CCO)C1=C(O)N=C(O)N=C1~   19.489
5414 OCCN(CCO)C1=C(O)N=C(O)N=C1~   20.928
5415 CCSC1=CC(=NC(=N1)N)SCC~    5.081
5416 NC1=NC=NC(=C1N)N2CCOCC2~   16.401
5417 CN(C)C1=NC(=C(C=N1)[N+]([O-])=O)N(C)C~    6.646
5418 CCCNC1=C(NC=O)C(=NC(=N1)N)O~   18.088
5419 CCC[C]1(NC(=O)NC1=O)C=NNC(N)=S~   13.553
5420 CC(C)NC(=S)NC1=C(N)N=C(O)N=C1O~   21.156
5421 CCC[C]1(NC(=O)NC1=O)C=NNC(N)=O~   19.389
5423 CCCCN1N=NC2=C1N=C(N)N=C2N~   11.754
5425 CC(C)C(=C)C1CC1~    0.682
5428 CCCC1=CCCC1~    0.860
5429 CCCC(=C)C1CC1~    0.682
5430 CCC=C(C)C1CC1~    0.611
5433 CCC(CC)C1=NC=CN1~    4.889
5435 C1CNC(N1)[CH]2CCC=CO2~    7.304
5436 CC(C)N1C[CH](C)C(=O)NC1=S~    8.593
5438 CCCN=C1SSC(=O)N1CCC~    6.408
5439 NC(=O)[CH]1CCCC[CH]1C(N)=O~   11.311
5442 CCCC[C]1(C)NC(=O)NC1=O~    8.189
5443 CC[C]1(NC(=O)NC1=O)C(C)C~    8.189
5444 CCC[C]1(CC)NC(=O)NC1=O~    8.189
5445 CC(=O)N1CCN(CC1)C(C)=O~   10.437
5446 CC(C)N1C[CH](C)C(=O)NC1=O~    9.271
5447 CCC1(CC)CNC(=O)NC1=O~    9.489
5448 CC(C)CN1CCC(=O)NC1=O~    9.271
5449 CSCC[CH](NCCC#N)C(O)=O~   13.592
5452 OC(=O)[CH](CCCCNC(S)=S)NC(S)=S~    9.708
5453 NC(=O)N[CH]1CCCC[CH]1C(O)=O~   13.967
5454 CCOC(=O)[CH](C)NC(=O)N1CC1~    9.845
5455 COCCN=C1SSC(=O)N1CCOC~   10.517
5456 OC(=O)CN1CCN(CC1)CC(O)=O~   15.633
5457 CC[C]1(NC(=O)NC1=O)C(OC)OC~   11.599
5458 NC(=O)OC1CCC(CC1)OC(N)=O~   10.213
5460 OCC[CH]1NC(=O)[CH](CCO)NC1=O~   14.147
5461 CCOC(=O)CN(CC(=O)OCC)N=O~    8.087
5462 CN1C(=CC(C)(C)NC1=S)C~    5.376
5463 C[CH]1S[CH](C)N(CC#N)[CH](C)S1~    6.533
5464 CCCCCCSC1=NNC(=S)S1~    6.024
5466 N#CCCNCCNCCC#N~   14.821
5467 C[CH](C#N)N([CH](C)C#N)N(C)C~   12.991
5468 CN(C)C1=CC=NC(=N1)N(C)C~    5.582
5469 CN1CN[CH]2[CH]1C(=O)N(C)C(=O)N2C~   10.427
5470 O=NN1CCN(N=O)[CH]2CCCC[CH]12~   10.336
5471 CN1C(=C(NCCO)C(=O)N(C)C1=O)N~   16.886
5472 CC(=N)NC(=O)OCCOC(=O)NC(C)=N~   12.466
5473 OCN1C2C(N(CO)C1=O)N(CO)C(=O)N2CO~   17.592
5474 CCOC(=O)N(CCN(C(=O)OCC)[N+]([O-])=O)[N+]([O-])=O~   10.854
5475 CCCCNC1=CC(=NC(=N1)N)S~    7.600
5476 CNC(=S)SSC(=S)NCCNC(=S)SSC(=S)NC~    9.254
5477 NC1=NC(=NC(=N1)N)N2CCCCC2~   11.057
5478 CC(=O)NNC(=O)CN(CC(=O)NNC(C)=O)N=O~   23.260
5479 CCCCN1N=NC2=C(NN)N=C(N)N=C12~   14.134
5481 CCCC=C(CC)C=O~    3.686
5482 C[CH]1CCC[CH](C)C1=O~    4.045
5483 O=C1CCCCCCC1~    4.045
5484 CCOC1=CCCCC1~    1.839
5485 CC(C)=CCCC(C)=O~    3.674
5487 OCCC1=CCCCC1~    5.048
5488 C[CH]1CCCC(=O)CC1~    4.045
5489 CC1(C)CCCCC1=O~    4.045
5490 CC[CH]1CCCC(=O)C1~    4.045
5491 CCC1CCC(=O)CC1~    4.045
5492 C[CH]1C[CH](C)CC(=O)C1~    4.045
5493 C[CH]1CCC[CH]1C(C)=O~    4.045
5495 CC(C)=COC=C(C)C~    0.638
5498 CS(=O)(=O)OCC(=O)OCCOC(=O)COS(C)(=O)=O~   13.080
5501 CC1(C)CC(=O)C(C)(C)O1~    5.250
5502 CC=C[CH]1O[CH](C)[CH](C)O1~    4.092
5504 CC(C)C1OCC=CCO1~    4.092
5505 CCCCCC(=O)C(C)=O~    6.213
5506 CC(C)(O)C#CC(C)(C)O~    7.350
5507 CC(C)C(C(C)=O)C(C)=O~    7.108
5508 OC(=O)CCC1CCCC1~    5.879
5509 CC(=O)OC1CCCCC1~    3.496
5510 CC(OCC=C)OCC=C~    3.936
5512 CCCCCOC(=O)C=C~    3.542
5513 CC(C)CC(=O)OCC=C~    3.268
5514 CC(C)COC(=O)C(C)=C~    3.470
5515 CCOC(=O)C1CCCC1~    3.496
5516 OC(=O)C1CCCCCC1~    5.879
5518 CCCCOC(=O)C(C)=C~    3.470
5519 CC(=C)C(=O)OC(C)(C)C~    3.470
5521 C[CH]1CCCC[CH]1OC=O~    3.237
5522 CCCC(=O)C(=O)CCC~    6.213
5523 CC(C)C(=O)C(=O)C(C)C~    6.213
5524 C[CH]1CO[C](C)(O1)C2CC2~    4.393
5525 CC(=C)COC[C]1(C)CO1~    5.292
5527 CCCC[CH]1CCC(=O)O1~    3.496
5528 CC(C)CC(C)=CC(O)=O~    5.780
5529 C1CC[CH]2OCOC[CH]2C1~    4.393
5531 CCCC(=O)CC(=O)CC~    7.108
5532 CCCCCC(=O)OC=C~    2.441
5535 CC(=O)C1(O)CCCCC1~    4.851
5536 CC[C]1(C)CC(=O)O[CH]1C~    3.496
5540 CCC(=O)C(C)(C)C(C)=O~    7.108
5541 C=COCCCCOC=C~    2.983
5542 CC(C)CC(=O)CC(C)=O~    7.108
5543 CC(=O)CCSCCC(C)=O~    9.203
5544 CC(C)OC(=S)SSC(=S)OC(C)C~    6.674
5545 CCCCCCC(=O)C(O)=O~    8.046
5546 CCOC(C)=CC(=O)OCC~    4.625
5548 CCCOC(=O)CCC(C)=O~    6.559
5550 CCOC(=O)[CH]1O[C]1(C)CC~    5.201
5551 O[CH]1CCCC[CH]1CC(O)=O~   10.316
5553 CCOCCOC(=O)C(C)=C~    5.524
5554 CO[CH](C)CCOC(=O)C=C~    5.597
5555 CCOC(=O)[CH](C)C(=O)CC~    6.559
5556 CCOC(=O)C(C)(C)C(C)=O~    6.559
5557 C1CO[CH](C1)COC[CH]2CO2~    8.547
5558 C[C]1(COC[C]2(C)CO2)CO1~    7.646
5560 CCCC(=O)CC(=O)OCC~    6.559
5561 CC(=O)CC(=O)OC(C)(C)C~    6.559
5562 CC(=O)OC[CH]1CCCCO1~    6.451
5563 CCOCCC(=O)OCC=C~    5.323
5564 COC(=O)C1(O)CCCCC1~    4.304
5565 CCC(C)(CC(O)=O)CC(O)=O~   10.775
5566 CC(C)OC(=O)C(=O)OC(C)C~    5.115
5568 C[CH](CC[CH](C)C(O)=O)C(O)=O~   10.775
5570 CCOC(=O)C(C)(C)OC(C)=O~    5.161
5571 CC(C)OC(=O)[CH](C)OC(C)=O~    5.161
5573 CCOC(=O)C(C)C(=O)OCC~    6.010
5575 CCC(=O)OCCOC(=O)CC~    6.010
5577 COC(=O)CCCCC(=O)OC~    6.010
5580 CO[CH]1CO[CH]2[CH](CO[CH]12)OC~   10.101
5581 CCOC(=O)CSCCC(=O)OC~    8.105
5584 CCOC(=O)CSCC(=O)OCC~    8.105
5585 COC(=O)CCSCCC(=O)OC~    8.105
5586 CC(=O)OCCOCCOC(C)=O~    8.065
5587 CCCOC(=O)O[CH](C)C(=O)OC~    4.611
5589 O=S1(=O)CC[CH](C1)O[CH]2CCS(=O)(=O)C2~   11.427
5590 O[CH]1COCO[CH]1[CH]2OCOC[CH]2O~   14.376
5593 O=COCCOCCOCCOC=O~    9.600
5594 COC(=O)C[CH](O)[CH](O)CC(=O)OC~   11.883
5595 OC[CH](O)[CH]1OCO[CH]2COCO[CH]12~   14.376
5596 CCOC(=O)[CH](O)[CH](O)C(=O)OCC~    4.623
5599 OC[CH](O)[CH](O)[CH](O)[CH]1OC(=O)[CH](O)[CH]1O~   11.488
5601 CS(=O)(=O)O[CH]1CO[CH]2[CH](CO[CH]12)OS(C)(=O)=O~   14.762
5603 C1CCC2(CC1)SCCS2~    5.173
5604 CC(C)C=NC=C(C)C~    1.312
5605 CCCCCCCC#N~    3.777
5606 CCC[CH](C#C)N(C)C~    4.730
5608 C1CC[CH]2CNC[CH]2C1~    4.752
5609 NCCC1=CCCCC1~    4.599
5612 CCN(CC)CC#CC~    5.027
5613 NC[CH]1C[CH]2CC[CH]1C2~    4.971
5614 CC(=C)CNCC(C)=C~    4.152
5616 CCN(CC)C(=O)C=CC~    7.105
5617 CC(=O)NC1CCCCC1~    7.351
5620 C[N+](C)(C)CC1=CC=CO1~   13.674
5621 CC(=O)CN1CCCCC1~    6.296
5622 CN(C)CCC(=O)C1CC1~    7.597
5624 CN1[CH]2CC[CH]1CC(O)C2~    8.971
5625 CCC1(CC)C[CH]1C(N)=O~    7.569
5628 CC[CH]1SCC(C)(C)NC1=O~    9.445
5629 CC[CH]1CSC(C)(C)C(=O)N1~    9.445
5630 CC1(C)CSC(C)(C)C(=O)N1~    9.445
5631 CC=CCSC(C)(C)C(N)=O~    9.364
5632 CCOC(=O)N1CCCCC1~    6.583
5634 CCCC(=O)N1CCOCC1~    9.186
5635 CCCCCC(=NO)C(C)=O~    6.611
5636 CCOC(=O)C1(N)CCCC1~    6.184
5639 CC1(C)OC(=O)C[CH]1CCN~    7.484
5640 O[CH](CN1CCCCC1)C=O~    8.143
5641 CNC1(CCCCC1)C(O)=O~    8.348
5643 NC1(CCCCCC1)C(O)=O~    8.567
5644 N[CH](CC1CCCC1)C(O)=O~    8.567
5646 CNC(=O)OC1CCCCC1~    6.801
5647 CC[CH]1CCC[C]1(N)C(O)=O~    8.567
5648 C[CH]1CCCC[C]1(N)C(O)=O~    8.567
5649 NC(=O)[CH](O)C1CCCCC1~    8.376
5651 CC(=O)CCN1CCOCC1~    9.650
5652 CCOC(=O)[CH]1CCCN1C~    5.747
5656 CCOC(=O)[CH]1CCCCN1~    5.967
5657 CCN(CC)C(=O)CCC(O)=O~   12.028
5658 CCOC(=O)C(=O)N(CC)CC~    8.750
5659 CC(=O)NCCCCCC(O)=O~   12.246
5660 CC(C)[CH](ON=C(C)C)C(O)=O~    6.511
5661 C[CH]1CCCC[C]1(O)C[N+]([O-])=O~    8.307
5662 C[CH]1CCC[C](O)(C1)C[N+]([O-])=O~    8.307
5663 CCC(CC)(NC(C)=O)C(O)=O~   10.947
5665 CCC[C](C)(NC(C)=O)C(O)=O~   10.947
5666 COC(=O)C=C(CN(C)C)OC~    8.176
5667 CCOC(=O)[CH]1C[CH](O)CN1C~   10.184
5669 CCCC[CH](C(=O)OCC)[N+]([O-])=O~    6.384
5671 C[CH](O)CNC(=O)[CH](C)OC(C)=O~   13.451
5672 CC(C)OC(=O)CC[CH](N)C(O)=O~   11.080
5673 CCCOC(=O)CC[CH](N)C(O)=O~   11.080
5674 COC(=O)CCNCCC(=O)OC~    9.780
5677 CSCC[CH](NCCC(O)=O)C(O)=O~   15.339
5678 CC(C)(CO)N(CC(O)=O)CC(O)=O~   16.162
5681 C1CCN(CC1)C2=NCCN2~    9.607
5682 CNCC1=CC=C(CNC)N1~   12.249
5683 C[CH]1CCCCC1=NNC(N)=O~    8.627
5684 CC1CCC(CC1)=NNC(N)=O~    8.627
5685 CCCCN(CCC#N)C(N)=O~   11.644
5686 C=CCNC(=S)NN1CCOCC1~   10.202
5687 OCCN1CSC(=S)NCCNC(=S)SC1~   10.050
5689 CCOC(=O)CCC(C)=NNC(N)=O~   11.141
5690 CC(=O)NC(=O)NCN1CCOCC1~   12.595
5691 CN(N=O)C(=O)N[CH](C=O)[CH](O)[CH](O)[CH](O)CO~   19.654
5692 O=C1NCN(CCN2CCNC2=O)CN1~   18.251
5693 CCCCCCC=C~    0.199
5694 CC(=C)CC(C)(C)C~    0.127
5695 CCC1CCCCC1~    0.347
5696 CCCCC(=C)CC~    0.127
5698 CCC[CH](C)C1CC1~    0.347
5699 CC(C)[CH](C)C1CC1~    0.347
5700 C[CH]1CCCC[CH]1C~    0.347
5703 CN(C)CC#CCN(C)C~    8.578
5706 CC(C)N(CC#N)C(C)C~    7.327
5707 CCCCN(CC)CC#N~    7.327
5708 C1CCC2(CC1)NCCN2~    6.021
5709 NCC(=O)NC1CCCCC1~   10.038
5710 CCC1(CC)CNC(=O)NC1~    8.495
5712 NC(=O)NCC1CCCCC1~    8.714
5713 CN(C)C(=O)C1CCNCC1~   10.900
5714 CCOC(=N)N1CCCCC1~    7.754
5715 CCCCCCC(=O)NC(N)=S~    8.676
5716 CCN(CC)C(=S)SCCC(N)=O~   10.382
5717 CC(=O)NCCN1CCOCC1~   12.955
5719 CCOC(=O)N1CCN(C)CC1~   10.134
5720 CC(C)CCCC(=O)NC(N)=O~    9.352
5721 CC[CH](C(C)C)C(=O)NC(N)=O~    9.352
5723 NC(=O)NC1(CO)CCCCC1~   13.151
5725 O[CH](CN1CC1)[CH](O)CN2CC2~   13.959
5727 CCCC(=O)NNC(=O)CCC~    9.127
5728 CCCCCC(=NO)C(C)=NO~    8.714
5729 O=S(=O)(CCN1CC1)CCN2CC2~   12.279
5730 CN(C[CH](O)[CH](O)CN(C)C(S)=S)C(S)=S~   11.193
5731 CN(C)COC(=S)SSSC(=S)OCN(C)C~   10.987
5732 CC(C)NC(=O)CC[CH](N)C(O)=O~   14.936
5733 CCOC(=O)NC(C)NC(=O)OCC~    6.921
5735 CCOC(=O)NCCNC(=O)OCC~    9.420
5738 OCCNC(=O)CCC(=O)NCCO~   16.391
5739 CC(C)OC(=O)NNC(=O)OC(C)C~    8.030
5740 O=S(=O)(N1CCOCC1)N2CCOCC2~   10.458
5743 N[CH](CCSSCC[CH](N)C(O)=O)C(O)=O~   18.057
5744 N[CH](CCS(=O)(=O)N1CCOCC1)C(O)=O~   14.726
5746 CNC(=O)OCCS(=O)(=O)CCOC(=O)NC~   13.614
5748 CS(=O)(=O)OCC(=O)NCCNC(=O)COS(C)(=O)=O~   17.587
5750 CCCCNC(=S)NCC=C~    5.631
5751 C1CN(CCS1)SSN2CCSCC2~    9.600
5752 SC(=S)NCCCCCCNC(S)=S~    5.757
5755 NC(=N)N[CH](CSSC[CH](NC(N)=N)C(O)=O)C(O)=O~   28.640
5756 C[CH]1CCC[CH](C)[CH]1O~    5.064
5759 C[CH](C(C)=O)C(C)(C)C~    3.690
5761 CC(C)CC(=O)C(C)C~    3.690
5762 CCC(=O)CC(C)(C)C~    3.690
5765 CC1CCC(C)(O)CC1~    5.064
5766 C[CH]1CCCC[C]1(C)O~    5.064
5767 CCCC(=O)C(C)(C)C~    3.690
5768 CCCCCCC(C)=O~    3.690
5769 CC(C)(C)C[C]1(C)CO1~    3.182
5770 CCCCCCCC=O~    3.431
5774 CCC1CCC(O)CC1~    5.064
5775 C[CH]1C[CH](C)C[CH](O)C1~    5.064
5776 CCCCC(=O)C(C)C~    3.690
5778 CCC(O)(CC)CC=C~    4.636
5779 CCC1(O)CCCCC1~    5.064
5781 CC(C)CCCC(C)=O~    3.690
5782 CCCC[CH](CC)C=O~    3.431
5783 CCCCC(=O)CCC~    3.690
5784 CC(C)(O)C1CCCC1~    5.064
5785 C[CH](O)C1CCCCC1~    5.064
5787 CCCC(=O)SC(C)(C)C~    3.590
5790 CC(C)C[CH](C)OC(C)=O~    3.141
5791 C[CH](CC(C)(C)C)C(O)=O~    5.523
5792 CCC(CC)(CC)C(O)=O~    5.523
5793 CCC(=O)OCC(C)(C)C~    3.141
5794 CCOC(=O)CC(C)(C)C~    3.141
5795 CCC[CH](O)C(=O)CCC~    4.496
5798 CC(C)COC(=O)C(C)C~    3.141
5799 CC[C]1(C)O[CH](C)[CH](C)O1~    4.036
5801 CCCCCCOC(C)=O~    3.141
5804 CCC(=O)OCCC(C)C~    3.141
5805 CCCCOC(=O)CCC~    3.141
5807 CCCCCC(=O)OCC~    3.141
5815 CC(C)[CH](O)C(=O)C(C)C~    4.496
5816 C[CH](O)C1(O)CCCCC1~    6.500
5819 CCCCOCCOC=C~    3.682
5820 CC1(C)C[CH](O)C(C)(C)O1~    8.019
5823 CCC[C]1(C)OC[CH](C)O1~    4.036
5824 OCC1CCC(CO)CC1~    6.500
5825 CCC(CC)CCC(O)=O~    5.523
5826 CC1(C)C(O)C(C)(C)C1O~    6.500
5827 CCCCCSCCC(O)=O~    7.618
5830 COC(=O)[CH](C)CSC(C)C~    5.236
5831 CCCC(=O)OCCSCC~    5.236
5832 CC[CH]1C[CH](CC)S(=O)(=O)C1~    4.821
5833 CC(C)(C)S[CH]1CCS(=O)(=O)C1~    6.917
5835 CCCCOC(=O)C(C)(C)O~    3.947
5836 CC(C)C1OCCOCCO1~    6.091
5837 CCO[CH]1CC[CH](OCC)O1~    6.991
5839 CC(C)C(O)(C(C)C)C(O)=O~    6.330
5841 COC[CH](C)OC(=O)C(C)C~    5.195
5842 CCOCC[CH](CC)C(O)=O~    7.578
5843 CC1(C)OC[CH](CCCO)O1~    8.474
5844 CCOC(=O)[CH](CC)[CH](C)O~    7.578
5846 C[CH](O)C(=O)OCCCCCO~    5.385
5847 CCOCCOCCC(=O)OC~    7.250
5848 CCOCCOCCOC(C)=O~    7.250
5850 CCS[CH]1[CH](CO)O[CH](OC)[CH]1O~   12.907
5852 CCS(=O)(=O)C1(CCC1)S(=O)(=O)CC~    9.017
5855 CO[CH]1O[CH]([CH](O)CO)[CH](O)[CH](O)[CH]1O~   15.121
5856 OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)C=O~   12.860
5858 OC[CH](O)[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O~   16.640
5861 OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O~   14.951
5863 CC[CH]1CC[CH](C)NC1~    4.397
5864 CCNC1CCCCC1~    4.397
5865 CCC[CH]1CCCCN1~    4.397
5867 NC1CCCCCCC1~    4.614
5868 CCCC1CCNCC1~    4.397
5869 C[CH](N)C1CCCCC1~    4.614
5870 C[CH]1CC[CH](C)[CH](N)C1~    4.614
5873 C1CC[N+]2(C1)CCCC2~   12.799
5874 C1CC[N+]2(CC1)CCC2~   12.799
5877 CC(C)N1CCCCC1~    4.178
5878 OCCNC1CCCCC1~    8.833
5879 CCCCCCCC(N)=O~    7.213
5880 CCCC(=O)N(CC)CC~    6.777
5881 CC(C)N(C(C)C)C(C)=O~    6.777
5884 CC[CH](C)NC(=O)C(C)C~    6.996
5885 CC(C)(O)[CH]1CCCCN1~    8.833
5886 CCNC(=O)CC(C)(C)C~    6.996
5887 CCN(CC)C[CH](O)C=C~    8.387
5888 CCN(CC)[CH](CO)C=C~    8.387
5889 CC(C)C(C(C)C)C(N)=O~    7.213
5890 CCCC[CH](CC)C(N)=O~    7.213
5891 CCC[CH]1CC[CH](O)CN1~    8.833
5893 CC[C]1(C)NC(C)(C)CO1~    5.151
5894 CCN(CC)CCC(C)=O~    7.240
5895 CCCCN1CCOCC1~    6.233
5898 C[CH](O)CN1CCCCC1~    8.614
5899 CC[CH](C)[CH](CC)C(N)=O~    7.213
5902 OCCN1CCCCCC1~    8.614
5903 CCN(CC)CCC(=O)OC~    6.693
5904 CCOC(=O)CCCCCN~    7.128
5906 CC(C)CCNC(=O)[CH](C)O~    7.801
5907 CCCCCC[CH](C)[N+]([O-])=O~    3.514
5908 CC(C)(C)CC(C)(C)[N+]([O-])=O~    3.514
5909 CCCCCCCC[N+]([O-])=O~    3.514
5910 CCCC[CH](N(C)C)C(O)=O~    7.775
5912 CCCCCC[CH](N)C(O)=O~    8.211
5914 CCCC(O)(CCC)C(N)=O~    8.020
5915 CCCCOC(=O)NC(C)C~    6.446
5916 CCN(CC)C(=O)OC(C)C~    6.227
5919 CCCCC[C](C)(N)C(O)=O~    8.211
5920 CC[N+]1(CC)CCOC(=O)C1~   14.012
5921 CCCCCNC(=O)OCC~    6.446
5924 CCCC(N)(CCC)C(O)=O~    8.211
5925 CCCC[C](N)(CC)C(O)=O~    8.211
5927 CCOC(=O)[CH](N)CC(C)C~    5.830
5928 CCCCNC(=O)OC(C)C~    6.446
5929 CCCCCCNCC(O)=O~    7.991
5930 NS(=O)(=O)CCC1CCCCC1~    5.169
5931 CCC[C](C)(O)[CH](C)OC(N)=O~   11.101
5932 CCCCCC[CH](O)C[N+]([O-])=O~    7.951
5933 CO[CH](CN(C)C)CC(=O)OC~    8.747
5934 CCOC(=O)C[CH](O)CN(C)C~   11.128
5935 CC(C)CCNC(=O)OCCO~   10.883
5936 CC(C)(CO)[CH](O)C(=O)NCCS(O)(=O)=O~   16.005
5938 CCCCCCCSC(N)=S~    3.876
5939 CC(C)C(=NNC(N)=O)C(C)C~    8.272
5941 CCNC(=O)N1CCN(C)CC1~   11.827
5942 CN(C)C(=O)N1CC[N+](C)([O-])CC1~   18.703
5943 CCN(CC)CNC(=O)NC(C)=O~   10.184
5944 CCCCOC(=O)NCCSC(N)=N~   14.051
5945 CCCCCCC=NNC(N)=S~    5.636
5947 NC(=N)NC(=N)NC1CCCCC1~   15.199
5948 CCCCCCCC~   -0.479
5949 CCCCCC(C)C~   -0.479
5950 CCCC[CH](C)CC~   -0.479
5951 CC(C)C(C)C(C)C~   -0.479
5952 CC(C)CC(C)(C)C~   -0.479
5953 CC1(C)CNC(C)(C)CN1~    8.166
5954 C[CH]1CC[CH](C)N1CCN~    8.166
5955 CC(C)CN(CC(C)C)N=O~    4.947
5956 CC[CH](C)N(N=O)[CH](C)CC~    4.947
5957 CCCCN(CCCC)N=O~    4.947
5958 CCC(CC)C(=O)NN(C)C~    9.155
5959 CCCCC[CH](C)NC(N)=O~    8.358
5960 NCCN[CH]1CCCC[CH]1O~   12.821
5961 C[CH]1CN(CCCO)CCN1~   12.384
5962 NCCCCN1CCOCC1~   10.220
5963 CCCCCCCC(=O)NN~    9.592
5966 OCCN1CCN(CCO)CC1~   13.602
5967 CN(C)CC(CN(C)C)C(O)=O~   12.625
5968 CCNCCCC[CH](N)C(O)=O~   11.979
5970 CN(C)CCOC(=O)CCCN~   10.680
5971 C[CH](CN)CC[C](C)(O)C(N)=O~   12.008
5972 C[CH]1CCCCN1S(=O)(=O)N(C)C~    5.991
5973 CC1CCN(CC1)S(=O)(=O)N(C)C~    5.991
5975 CC(C)(CO)NCC(C)(C)[N+]([O-])=O~   11.721
5976 CCN(CC)S(=O)(=O)CC[CH](N)C(O)=O~   12.316
5977 CC(C)NC(=N)C(=N)NC(C)C~   10.857
5978 CC[N+]12CN3CN(CN(C3)C1)C2~    8.807
5979 NC(=O)NCCCCCCNC(N)=O~   19.644
5980 NNC(=O)CCCSCCCC(=O)NN~   17.807
5981 NC(=N)SCCCCCCSC(N)=N~   15.483
5982 CNC(=N)SCCCCSC(=N)NC~   15.045
5983 CN(C)NC(=O)CN(CC(=O)NN(C)C)N=O~   16.917
5984 CCCCCC(C)(C)O~    4.509
5985 CCC(O)(CC)C(C)C~    4.509
5989 CCCCC[CH](C)CO~    4.509
5990 CCCC[CH](CC)CO~    4.509
5991 CCCCCCCCO~    4.509
5992 CCCCCC[CH](C)O~    4.509
5994 CCCC[C](C)(O)CC~    4.509
5995 CCCC(O)(CC)CC~    4.509
5996 CC(C)CC(C)(C)CO~    4.509
5998 CS(=O)(=O)OC[CH](O)[CH](O)[CH](O)[CH](O)COS(C)(=O)=O~   17.788
5999 CC(C)(C)OOC(C)(C)C~    1.921
6001 CC(C)(O)CCC(C)(C)O~    6.145
6002 CC(C)[CH](O)C(C)(C)CO~    6.145
6003 CC[CH](O)C[CH](CC)CO~    6.145
6004 CC[C](C)(O)[C](C)(O)CC~    6.145
6005 CCOCCCCOCC~    4.381
6006 CCCCS(=O)(=O)CCCC~    4.466
6007 CCCCOCCOCCS~    5.830
6008 C[CH](CCSCCO)SCCO~   10.335
6010 C[CH](O)CC[CH](O)CCCO~    7.582
6011 CCOC[CH](O)COC(C)C~    8.818
6012 CC(C)CCOC[CH](O)CO~    8.200
6019 CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC~    8.662
6020 CCS(=O)(=O)C(C(C)C)S(=O)(=O)CC~    8.662
6022 CCS(=O)(=O)OCCCCOS(=O)(=O)CC~    9.041
6023 C[CH](CC[CH](C)OS(C)(=O)=O)OS(C)(=O)=O~    9.041
6024 OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)CO~   14.767
6025 CC(C)(C)SC(C)(C)C~    2.367
6026 CCCCSCCCC~    2.367
6027 CC(C)CSCC(C)C~    2.367
6028 CCCCCCCCS~    1.721
6029 CCCCSSCCCC~    2.178
6030 CC[CH](C)N[CH](C)CC~    4.040
6032 CC(C)(C)C(C)(C)CN~    4.259
6034 CC(C)CCC[CH](C)N~    4.259
6035 CCCCC[CH](C)NC~    4.040
6037 C[N+]1(C)CCCCCC1~   12.442
6038 CCN(CC)CCCCO~    8.259
6044 CC(C)N(CCO)C(C)C~    8.259
6045 CC(C)C[CH](CO)N(C)C~    8.259
6047 C[N+](C)(C)C[CH]1COCCO1~   16.553
6048 C[CH]1OC[CH](C[N+](C)(C)C)O1~   15.851
6052 OCC[N+]1(CCO)CCOCC1~   20.372
6053 C[CH](O)CN(CCO)C[CH](C)O~   11.133
6054 CC(C)(CO)N(CCO)CCO~   11.133
6055 OCCN(CCO)C(CO)(CO)CO~   14.007
6056 CCN(CC)CCCNC~    7.592
6059 C[CH](CCN(C)C)N(C)C~    7.373
6060 NCCCCCCCCN~    8.247
6061 CC(C)(N)CNC(C)(C)CO~   12.465
6063 CCCN(CCC)S(=O)(=O)N(C)C~    5.636
6065 OCCN(CCO)N(CCO)CCO~   14.730
6066 CN(C)S(=O)(=O)N1CCN(CC1)S(=O)(=O)N(C)C~   11.359
6067 NC(=N)NCCCCCCNC(N)=N~   18.830
6068 NNC(=N)SCCCCCCSC(=N)NN~   20.240
6070 CCCOCC[N+](C)(C)C~   14.142
6071 OCC[N+](CCO)(CCO)CCO~   20.836
6072 CC(C)(N)CNCC(C)(C)N~   12.016
6073 CCN(CC)CCCNC(=N)NN(O)O~   20.876
6077 OC1=CC=C(O)C(=C1C#N)C#N~   14.264
6081 [O-][N+](=O)C1=C2C(=O)NC(=O)C2=CC=C1~   10.395
6082 [O-][N+](=O)C1=CC2=C(C=C1)C(=O)NC2=O~   10.395
6083 [O-][N+](=O)C1=CC=C(SC2=CC=C(S2)[N+]([O-])=O)S1~    9.842
6084 [O-][N+](=O)C1=CC2=C(OC(=O)NC2=O)C=C1~    9.573
6086 OC1=NC2=C(C=C(C=C2C(=N1)O)[N+]([O-])=O)[N+]([O-])=O~   19.319
6088 OC1=NC2=NC3=NC(=NC(=C3N=C2C(=N1)O)O)O~   30.019
6089 O=C1OC(=O)C2=C1C=CC=C2~    5.197
6090 OS(=O)(=O)C1=CC2=C(C=C1)C(=O)OC2=O~   11.529
6091 OC(=O)C1=C(C(O)=O)C(=C(O1)C(O)=O)C(O)=O~   21.055
6092 O=CC1=CC=C(C=C1)C#N~    6.886
6093 O=C(N=C=S)C1=CC=CC=C1~    6.042
6094 O=C1SC2=CC=CC=CC2=N1~    3.221
6095 O=CC1=NC2=CC=CC=C2S1~    9.031
6096 O=C1NC(=S)SC1=CC2=CC=CS2~    8.951
6097 O=C1NC(=O)C2=C1C=CC=C2~    7.991
6099 O=C1NC2=C(C=CC=C2)C1=O~   10.656
6100 N#CC1=CC2=C(OCO2)C=C1~    7.218
6102 [O-][N+](=O)C1=CSC2=C1C=CC=C2~    5.947
6103 O=C1NC(=S)SC1=CC2=CC=CO2~    8.686
6104 ON1C(=O)C2=C(C=CC=C2)C1=O~   10.688
6105 O=C1NC2=C(C=CC=C2)C(=O)O1~    8.399
6106 O=C1NC(=O)C2=C(O1)C=CC=C2~    7.170
6107 OC(=O)C(=CC1=CC=CO1)C#N~   10.541
6108 O=C1NC(=O)C(S1)=CC2=CC=CO2~    6.983
6109 [O-][N+](=O)C1=CC2=C(COC2=O)C=C1~    7.299
6110 ON1C(=O)OC2=C(C=CC=C2)C1=O~    9.870
6111 [O-][N+](=O)C1=CC2=C(OCO2)C=C1C=O~   10.210
6112 OC(=O)C(=O)C1=CC(=CC=C1)[N+]([O-])=O~   11.770
6113 OC(=O)C1=C(C(O)=O)C(=CC=C1)[N+]([O-])=O~   14.065
6114 OC(=O)C1=C(C=C(C=C1)[N+]([O-])=O)C(O)=O~   14.065
6115 OC(=O)C1=CC(=C(C=C1)C(O)=O)[N+]([O-])=O~   14.065
6120 OC1=NC=NC2=C(C=CC=C12)[N+]([O-])=O~   12.932
6121 OC1=NN=C(O)C2=C(C=CC=C12)[N+]([O-])=O~   16.921
6122 OC1=C2C=CC(=CC2=C(O)N=N1)[N+]([O-])=O~   16.921
6123 COC(=O)C(=[N+]=[N-])C(=O)C1=CC=C(O1)[N+]([O-])=O~    9.076
6124 N#CC(N=NC1=CC=CN=C1)C#N~   13.879
6125 OC1=NC(=C(N=C2C(=O)NC(=O)NC2=O)C(=N1)O)O~   28.631
6126 C#CC1=CC=CC=C1~    2.928
6128 OC1=C2C=CC=CC2=CN=N1~   10.536
6130 OC1=C2N=CC=CC2=NC=C1~   13.028
6131 N=C1C(=O)NC2=C1C=CC=C2~    8.870
6132 [N-]=[N+]=CC(=O)C1=CC=CC=C1~    4.048
6133 O=CC1=NC2=CC=CC=C2N1~    9.039
6134 NC(=O)C1=C(C=CC=C1)C#N~   10.670
6135 O=CNC1=CC=C(C=C1)C#N~   10.088
6136 OC1=CC2=C(C=CC=C2)N=N1~   10.536
6137 O=C(NC#N)C1=CC=CC=C1~    7.672
6138 [O-][N+]1=C2C=CC=CC2=NC=C1~   11.545
6139 O=C1SC(=S)NN1C2=CC=CC=C2~    5.439
6140 OC1=C2C=CC=CC2=C(O)N=N1~   14.519
6142 [O-][N+](=O)C1=CC=C(CC#N)C=C1~    8.012
6145 OC1=NC2=C(C=CC=C2)N=C1O~   14.511
6146 O=NN1CC2=C(C=CC=C2)C1=O~    9.658
6147 OC1=CC2=C(C=C1O)N=CC=N2~   14.511
6148 [O-][N+](=O)[CH](C#N)C1=CC=CC=C1~    8.851
6149 [O-][N+]1=C2C=CC=CC2=[N+]([O-])C=C1~   16.545
6150 NC1=CC2=C(C=C1)C(=O)NC2=O~   11.442
6151 OC1=NC(=C2C=CC=CC2=N1)O~   14.511
6152 OC(=O)C1=NC2=CC=CC=C2N1~   11.132
6154 O=C1NC(=S)NC1=CC2=CC=CO2~    9.435
6155 OC(=O)C1=CC2=C(NC(=N)S2)C=C1~   13.613
6157 [O-][N+](=O)C1=CC2=C(NC(=O)C2)C=C1~   11.050
6158 COC1=CC=CC(=C1C#N)[N+]([O-])=O~    7.914
6159 O[CH](C#N)C1=C(C=CC=C1)[N+]([O-])=O~    8.629
6161 OC1=CC=C(C=C1CSC#N)[N+]([O-])=O~   11.839
6163 [O-][N+](=O)C=CC1=CC(=CC=C1)[N+]([O-])=O~    7.863
6165 [O-][N+](=O)C=CC1=CC=C(C=C1)[N+]([O-])=O~    7.863
6167 OC(=O)C(=O)NC1=CC(=CC=C1)[N+]([O-])=O~   14.971
6168 CC1=C(C=C(C=C1[N+]([O-])=O)C(O)=O)[N+]([O-])=O~   11.730
6169 OC(=O)CC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~   12.162
6170 COC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O~    9.268
6171 NC1=CC(=C(C=C1C(O)=O)[N+]([O-])=O)C(O)=O~   17.517
6172 CC(=O)OC1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O~    9.479
6175 SC1=NC2=C(C=CC=C2)N=C1~    5.971
6177 SC1=NC(=C2C=CC=CC2=N1)S~    5.393
6179 S=C1NN(C(=S)S1)C2=CC=CC=C2~    3.943
6182 [O-][N+](=O)C1=CC=C(O1)C=NN2CC(=O)NC2=O~   11.876
6183 OC1(C(=O)NC(=O)NC1=O)C2(O)C(=O)NC(=O)NC2=O~   26.428
6184 C#CCSC1=C2N=CNC2=NC=N1~   10.309
6185 NC1=NC(=C2N=C3C(=NC(=NC3=NC2=N1)O)O)N~   25.407
6187 O=C1OCC2=C1C=CC=C2~    4.896
6188 O=CC1=CC(=CC=C1)C=O~    7.475
6189 O=CC1=C(C=O)C=CC=C1~    7.475
6192 SC(=O)C1=CC=C(C=C1)C(S)=O~    6.504
6193 OC(=O)C1=C(C=O)C=CC=C1~    9.569
6195 O=CC1=CC2=C(OCO2)C=C1~    7.807
6196 OC(=O)C(=O)C1=CC=CC=C1~    9.365
6197 OC1=CC2=C(C=C1)C(=O)OC2~    8.879
6198 OC1=CC2=C(C=C1)C(=O)CO2~    9.848
6201 O=C1OC(=O)[CH]2[CH]3O[CH](C=C3)[CH]12~    8.033
6203 OC(=O)C1=CC(=CC=C1)C(O)=O~   11.662
6205 OC1=CC(=C2C(=O)COC2=C1)O~   10.730
6206 OC(=O)C1=C(C=CC=C1)C(O)=O~   11.662
6208 OC1=C(O)C2=C(C=C1)C(=O)CO2~   13.830
6209 OC(=O)C(=O)C1=C(O)C=C(O)C=C1~   14.231
6210 OC(=O)C1=C(C(O)=O)C(=CC=C1)O~   12.544
6211 OC(=O)C1=CC=C(O)C(=C1)C(O)=O~   12.544
6212 OC(=O)C(=CC1=CC=CO1)C(O)=O~   13.219
6214 S1C=CC2=CC=CC=C12~    3.544
6215 N1C=CC2=CC=CC=C12~    6.053
6217 O=C1NCC2=C1C=CC=C2~    8.750
6218 COC1=CC=C(C=C1)C#N~    5.511
6219 CC1=NC2=CC=CC=C2O1~    6.120
6220 OC1=CNC2=C1C=CC=C2~   10.035
6221 O=C1CNC2=C1C=CC=C2~    7.298
6222 N#CCOC1=CC=CC=C1~    3.058
6223 O=C1CSC2=C(N1)C=CC=C2~   10.224
6227 CC1=C(SC#N)C=CC(=C1)O~    8.996
6228 CC1=CC(=CC=C1O)SC#N~    8.996
6229 CC1=CC2=C(C=C1)C(=O)NS2~    8.117
6230 O=C1CSC(=S)N1CC2=CC=CS2~    8.600
6231 OC(=O)C=CC1=CC=NC=C1~   10.772
6233 COC1=CC=C(C=C1)N=C=O~    4.860
6234 [O-][N+](=O)C=CC1=CC=CC=C1~    5.458
6235 [O-][N+](=O)C(=C)C1=CC=CC=C1~    5.458
6238 O=C1COC2=C(N1)C=CC=C2~    9.067
6241 CC(=O)C1=C(C=CC=C1)[N+]([O-])=O~    7.412
6242 [O-][N+](=O)CC(=O)C1=CC=CC=C1~    8.251
6243 NC(=O)C1=C(C=CC=C1)C(O)=O~   13.351
6246 COC1=CC=C2OC(=O)NC2=C1~    8.664
6247 NC(=O)C1=CC2=C(OCO2)C=C1~   11.590
6248 ON=CC1=CC2=C(OCO2)C=C1~    9.382
6249 OC(=O)C1=CC=C(NC=O)C=C1~   12.770
6250 OC1=CC=C(C=C1)C=C[N+]([O-])=O~    9.441
6251 CC(=O)C1=CC=C(C=C1)[N+]([O-])=O~    7.412
6252 CC1=C(O)C2=C(C=N1)C(=O)OC2~   11.719
6253 O=C1NC(=O)[CH]2[CH]3O[CH](C=C3)[CH]12~   10.827
6255 CN1C(=O)C2=C(C=CC=C2)S1(=O)=O~    8.569
6256 COC(=O)C1=CC(=CC=C1)[N+]([O-])=O~    6.863
6257 CC(=O)OC1=CC=C(C=C1)[N+]([O-])=O~    6.592
6261 OC(=O)CC1=CC=C(C=C1)[N+]([O-])=O~    9.759
6262 NC1=CC=CC(=C1C(O)=O)C(O)=O~   15.113
6263 NC1=CC(=C(C=C1)C(O)=O)C(O)=O~   15.113
6265 OC(=O)CC1=C(C=CC=C1)[N+]([O-])=O~    9.759
6267 CC1=C(C=CC(=C1)C(O)=O)[N+]([O-])=O~    9.326
6268 CC(=O)C1=CC(=C(O)C=C1)[N+]([O-])=O~    7.896
6269 CC(=O)OC1=CC(=CC=C1)[N+]([O-])=O~    6.592
6270 CC1=CC(=C(C=C1)[N+]([O-])=O)C(O)=O~    9.326
6271 NC(=O)OC1=C(C=CC=C1)C(O)=O~   12.532
6272 CC1=C(C=C(C=C1)C(O)=O)[N+]([O-])=O~    9.326
6273 COC1=CC=CC(=C1[N+]([O-])=O)C(O)=O~   10.597
6275 CC(=O)C1=CC(=C(O)C=C1O)[N+]([O-])=O~    8.777
6278 O[CH](C(O)=O)C1=CC(=CC=C1)[N+]([O-])=O~   10.565
6281 COC1=C(C=C(C=C1)C(O)=O)[N+]([O-])=O~   10.597
6283 OC(=O)COC1=C(C=CC=C1)[N+]([O-])=O~   10.179
6284 COC(=O)C1=CC(=CC(=C1)O)[N+]([O-])=O~   10.845
6285 N#CSCC1=CC=CC=C1~    5.451
6287 CC1=NC2=CC=CC=C2S1~    6.384
6290 CSC1=NC2=CC=CC=C2S1~    7.963
6292 NC1=CC2=NC=CN=C2C=C1~    9.996
6293 NC1=NC2=C(C=CC=C2)N=C1~    9.996
6294 CC1=NC2=C(C=CC=C2)N=N1~    6.893
6295 N=C1NN=C(O1)C2=CC=CC=C2~    9.719
6296 NC1=CC=CC2=C(O)N=NC(=C12)O~   17.971
6297 CN1C=NC2=C1C=C(C=C2)[N+]([O-])=O~    7.510
6298 NC1=CC2=C(O)N=NC(=C2C=C1)O~   17.971
6299 O=C1NN(C(=O)N1)C2=CC=CC=C2~   10.510
6300 CC1=NC2=CC(=CC=C2N1)[N+]([O-])=O~    8.796
6301 NC1=CC2=C(C=C1)N=C(O)C(=N2)O~   17.963
6302 CC1=NC(=CS1)C2=C(O)N=C(O)N=C2~   17.721
6303 CC1=NC(=C(C#N)C(=C1[N+]([O-])=O)C)O~   13.467
6305 [O-][N+](=O)C1=CC(=C(C=C1)N2CC2)[N+]([O-])=O~    7.889
6306 OC1=C[N+](=NO1)C2=CC=C(C=C2)[N+]([O-])=O~   19.463
6307 [O-][N+](=O)C1=CC=C(O1)C=NN2CCSC2=O~    9.196
6308 CNC(=S)SC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~    9.783
6309 [O-][N+](=O)C1=CC=C(O1)C=NN2CCOC2=O~   10.487
6310 CC(=O)NC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~   11.678
6311 CC(=O)NC1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O~   13.500
6312 CC1=C(C(=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C)[N+]([O-])=O~    9.395
6313 OC(=O)CNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~   12.676
6314 CC(SC1=C(C=CC=C1)[N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O~   12.570
6316 COC1=C(OC)C(=C(C(=C1)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O~   11.936
6317 [O-][N+](=O)OCCOC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~   10.752
6318 N=C1NN=C(S1)C2=CC=CC=C2~    9.759
6319 S=C1NNC(=N1)C2=CC=CC=C2~    7.604
6320 CSC1=C2C=CC=CC2=NN=N1~    6.889
6322 C1CN=C(S1)C2=C3N=CNC3=NC=N2~   13.168
6323 C1=CC=CC=CC=C1~    1.206
6326 CC1=NC2=CC=CC=C2N1~    6.393
6328 NC1=CC=C(CC#N)C=C1~    9.059
6330 C=NC1=CC=C(C=C1)N=C~    3.559
6331 CN1C=NC2=C1C=CC=C2~    5.107
6334 OCC1=NC2=CC=CC=C2N1~   10.830
6335 CC1=CC=C2OC(=N)NC2=C1~    8.565
6338 COC1=CC=C2NC(=N)SC2=C1~   10.144
6340 NC(=O)C1=C(C=CC=C1)C(N)=O~   11.842
6341 O=CNN(C=O)C1=CC=CC=C1~    8.635
6344 CC1=NC(=C2C(=O)OCC2=C1)N~   11.188
6345 OC1=C[N+](=NO1)C2=CC=CC=C2~   17.059
6346 COC1=CC=C2OC(=N)NC2=C1~    9.836
6347 ON=CC(=O)NC1=CC=CC=C1~   11.131
6350 CN1C(=O)C(=C2SSC=C12)NC(C)=O~   10.472
6353 CC(=O)NC1=CC=C(C=C1)[N+]([O-])=O~   10.613
6354 [O-][N+](=O)C[CH](N=O)C1=CC=CC=C1~    7.863
6356 NCC(=O)C1=CC=C(C=C1)[N+]([O-])=O~   10.100
6358 CC(=O)C1=CC(=CC(=C1)N)[N+]([O-])=O~   10.863
6363 NC1=CC=CC(=C1)NC(=O)C(O)=O~   16.018
6365 OC(=O)NN=CC1=C(O)C=CC=C1~   14.556
6366 O=C1CCC(=O)N2N1C(=O)CCC2=O~   15.310
6367 N[CH](C(O)=O)C1=CC=C(C=C1)[N+]([O-])=O~   12.446
6368 OC(=O)CNC1=C(C=CC=C1)[N+]([O-])=O~   10.272
6369 CC1=C(N)C(=C(C=N1)C(O)=O)C(O)=O~   17.955
6370 CC1=C(C=C(C(=C1)C)[N+]([O-])=O)[N+]([O-])=O~    6.991
6371 CC1=CC(=C(N)C(=C1)[N+]([O-])=O)C(O)=O~   11.438
6372 OC(=O)CNC1=CC=C(C=C1)[N+]([O-])=O~   11.611
6373 COC(=O)C1=CC(=NC=N1)C(=O)OC~    9.917
6375 CCC1=C(C=C(C(=C1)O)[N+]([O-])=O)[N+]([O-])=O~    7.394
6376 C[CH](O[N+]([O-])=O)C1=CC(=CC=C1)[N+]([O-])=O~    7.076
6377 OC(=O)C=CC(=O)NNC(=O)C=CC(O)=O~   20.836
6380 OCCOC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~   12.618
6382 OS(=O)(=O)C1=CC=C(O1)C=NN2CCOC2=O~   14.413
6383 CC1=CC=C2NC(=N)SC2=C1~    8.873
6387 CC1=CC=C2SC(=N)NC2=C1~    8.873
6388 SCC1=NC2=CC=CC=C2N1~    7.842
6389 C(C1=NN=NN1)C2=CC=CC=C2~    7.264
6393 NC1=NC2=C(C=CC=C2)N=C1N~   13.449
6394 NC(=N)NC1=NC2=CC=CC=C2O1~   14.785
6396 C=CCOC1=C2N=CNC2=NC=N1~    9.851
6398 CC1=NC2=NC=NC(=C2N=C1C)O~   13.708
6399 CC(=O)CSC1=C2N=CNC2=NC=N1~   12.818
6400 CC(=O)CSC1=NC2=CN=CN=C2N1~   14.410
6401 CC1=NC2=NC(=NC(=C2N=C1C)O)S~   13.132
6402 CN1N=CC2=C(OC(C)=O)N=CN=C12~   10.300
6403 CC1=CC(=C(C#N)C(=N1)O)C(=O)NN~   19.873
6404 O=NN1CCN(N=O)C2=C1C=CC=C2~    8.719
6405 CC1=NC2=NC(=NC(=C2N=C1C)O)O~   17.690
6408 COC(=O)CSC1=C2N=CNC2=NC=N1~   12.271
6409 OC(=O)CCSC1=C2N=CNC2=NC=N1~   14.654
6410 NC(=S)NN=CC1=CC=C(C=C1)[N+]([O-])=O~    9.870
6411 NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=CS2~   13.623
6412 NC(=O)NN=CC1=CC=CC(=C1)[N+]([O-])=O~   12.507
6413 NC(=O)NN=CC1=CC=C(C=C1)[N+]([O-])=O~   12.507
6414 COC1=NC=NC2=C1N=CN2CC(O)=O~   13.770
6416 NC(=S)NNC(=O)C1=CC(=CC=C1)[N+]([O-])=O~   14.777
6418 CC1=NC(=C2N=C(NC2=N1)SCC(O)=O)O~   20.306
6419 NC(=S)NN=CC1=C(O)C=C(C=C1)[N+]([O-])=O~   13.854
6420 [O-][N+](=O)C1=CC=C(O1)C=NN2CCNC2=O~   12.181
6421 [O-][N+](=O)C1=CC=C(O1)C=NN2CCOC2=N~   11.660
6422 CN1C(=O)N(C)C2=C(N=C(O)C(=N2)O)C1=O~   19.851
6423 CN1C(=O)N(C)C2=C(N=C(N2)C(O)=O)C1=O~   16.471
6424 CC(=NNC1=CC=C(C=N1)[N+]([O-])=O)C(O)=O~   14.286
6425 [O-][N+](=O)C1=CC=C(N1)C=NN2CCOC2=O~   13.260
6426 NC(=N)SCC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~   14.516
6427 C=CCSC1=C2N=CNC2=NC=N1~    9.529
6428 NC(=N)NC1=NC2=CC=CC=C2S1~   15.048
6429 C=CCSC1=NC2=CN=CN=C2N1~   11.119
6430 N=C1NNC(=S)N1C2=CC=CC=C2~    9.788
6431 N#CCCSC1=NN=C(SCCC#N)S1~   15.396
6432 CC(=NNC1=C2N=CNC2=NC=N1)C(O)=O~   16.432
6433 OC(=O)CCSN=NC1=NC2=C(O)N=CN=C2N1~   20.460
6434 CN1C=NC(=C1SSC2=C(N=CN2C)[N+]([O-])=O)[N+]([O-])=O~   12.777
6435 C1CN=C(N1)SC2=C3N=CNC3=NC=N2~   14.830
6438 CC1=CC=C(C=O)C=C1~    4.830
6439 C1O[CH]1C2=CC=CC=C2~    5.013
6440 CC(=O)C1=CC=CC=C1~    5.008
6441 O1[CH]2C=CC=CC=C[CH]12~    3.883
6442 C[CH]1CC2=C(SC=C2)C1=O~    5.463
6444 CC1=C(C=CC=C1)C(O)=O~    6.921
6445 CC1=CC=CC(=C1)C(O)=O~    6.921
6449 CC(=O)C1=CC=C(O)C=C1~    8.991
6450 COC1=CC=C(C=O)C=C1~    6.100
6451 CC(=O)C=CC1=CC=CO1~    5.932
6452 O=COCC1=CC=CC=C1~    4.712
6454 COC(=O)C1=CC=CC=C1~    4.460
6456 CC1=CC2=C(OCO2)C=C1~    5.161
6460 OC(=O)CC1=CC=CC=C1~    7.355
6462 CC1=CC(=O)C(=CC1=O)C~    8.523
6463 COC1=CC=CC(=C1)C=O~    6.100
6464 CC(=O)C1=C(O)C=CC=C1~    5.889
6465 O=CCOC1=CC=CC=C1~    5.682
6466 CSC1=CC=CC(=C1)C(O)=O~    8.500
6467 OC(=O)CSC1=CC=CC=C1~    8.932
6468 COC1=CC=C(C=C1)C(S)=O~    5.614
6469 COC(=O)C1=C(S)C=CC=C1~    5.472
6470 C=CS(=O)(=O)C1=CC=CC=C1~    5.456
6472 CC(=O)C1=C(O)C=CC=C1O~    6.775
6474 COC1=CC=CC(=C1O)C=O~    6.983
6476 CC(=O)C1=C(O)C=CC(=C1)O~    9.873
6477 COC1=C(C=CC=C1)C(O)=O~    8.193
6478 COC(=O)C1=CC=C(O)C=C1~    8.442
6481 COC(=O)C1=C(O)C=CC=C1~    5.342
6483 OC(=O)COC1=CC=CC=C1~    7.775
6485 O=C1OC(=O)C2=C1CCCC2~    5.125
6486 OC(=O)CC1=CC(=CC=C1)O~   11.337
6490 C=CCOC(=O)C1=CC=CO1~    4.342
6491 C=CC(=O)OCC1=CC=CO1~    5.128
6493 OCC1=CC2=C(OCO2)C=C1~    9.597
6494 COC1=CC(=CC=C1)C(O)=O~    8.193
6496 CC1=CC(=CC(=C1)C(O)=O)O~   10.903
6497 COC1=CC=C(O)C(=C1)C=O~    6.983
6498 OCC1=C(C=CC=C1)C(O)=O~   11.359
6499 COC1=CC=C(C=C1)C(O)=O~    8.193
6500 COC(=O)C=CC1=CC=CO1~    5.384
6501 CC1=C(C=C(O)C=C1)C(O)=O~   10.903
6502 CC(=O)C1=C(O)C=C(O)C=C1~    9.873
6503 CC1=CC(=C(O)C=C1)C(O)=O~    7.804
6504 CC(=O)OC1=CC(=CC=C1)O~    8.171
6505 COC(=O)C1=CC(=CC=C1)O~    8.442
6506 CC(=O)OC1=CC=C(O)C=C1~    8.171
6507 COC1=CC(=CC=C1O)C=O~   10.082
6511 CS(=O)(=O)C1=C(C=O)C=CC=C1~    8.507
6513 OS(=O)(=O)C=CC1=CC=CC=C1~    8.801
6514 OC(=O)CCC(=O)C1=CC=CS1~   10.279
6515 COC1=CC(=C(O)C=C1)C(O)=O~    9.076
6516 COC1=CC(=CC=C1O)C(O)=O~   12.176
6517 CC(=O)[CH]1C(=O)OC(=CC1=O)C~    9.762
6519 COC1=C(O)C(=CC(=C1)C=O)O~   14.066
6520 COC(=O)CC(=O)C1=CC=CO1~    7.633
6521 O=C1OC(=O)[CH]2C[CH]3O[CH]3C[CH]12~    7.577
6522 COC1=CC(=O)C=C(OC)C1=O~    9.278
6523 OC(=O)COC1=C(O)C=CC=C1~   11.757
6524 CC1=C(C(O)=O)C(=CC(=O)O1)C~    8.451
6526 CS(=O)(=O)C1=CC=C(C=C1)C(O)=O~   10.600
6528 OC(=O)C(CC1=CC=CS1)C(O)=O~   12.625
6529 COC(=O)SS(=O)(=O)C1=CC=CC=C1~    6.267
6530 COC1=C(C=C(C=O)C=C1)S(O)(=O)=O~   12.431
6533 C=CSC1=CC=CC=C1~    3.356
6537 CC=NC1=CC=CC=C1~    2.790
6538 CC1=CC=C(C=C1)N=C~    2.870
6540 NC(=O)CC1=CC=CC=C1~    9.044
6542 CC1=C(C=CC=C1)C(N)=O~    8.613
6544 CC(=O)C1=CC=C(N)C=C1~    8.460
6547 CC(=O)NC1=CC=CC=C1~    8.210
6548 CC(=O)C1=CC(=CC=C1)N~    8.460
6550 CC1=CC(=NC(=C1)C=O)C~    7.670
6551 O=CNCC1=CC=CC=C1~    8.567
6552 OC1=CC(=CC=C1)N2CC2~    8.406
6555 CCC(=O)C1=CC=NC=C1~    7.770
6556 CC(=O)CC1=CC=NC=C1~    8.281
6557 CC(=O)CC1=CC=CC=N1~    8.281
6558 CC(=O)CC1=CC=CN=C1~    8.281
6560 CC1=CC=C(C=C1)C=NO~    6.405
6561 SCC(=O)NC1=CC=CC=C1~    9.660
6562 CC(=O)NC1=CC=C(S)C=C1~    9.223
6563 COC1=C(NC(S)=S)C=CC=C1~    5.580
6564 COC1=CC=C(C=C1)C=NO~    7.676
6565 CC1=C(N)C=C(C=C1)C(O)=O~   10.374
6566 CCC1=CC=C(C=C1)[N+]([O-])=O~    4.507
6568 NC(=O)COC1=CC=CC=C1~    9.465
6569 ONC(=O)CC1=CC=CC=C1~   11.742
6570 COC(=O)C1=C(N)C=CC=C1~    7.910
6572 COC(=O)C1=CC=C(N)C=C1~    7.910
6573 CC(=O)NC1=C(O)C=CC=C1~   12.192
6574 CC(=O)NC1=CC(=CC=C1)O~   12.192
6577 CC1=CC=CC(=C1C)[N+]([O-])=O~    4.587
6578 CC1=CC(=CC(=C1)C)[N+]([O-])=O~    4.587
6583 NC1=CC=C(CC(O)=O)C=C1~   10.807
6584 CCOC(=O)C1=CC=CN=C1~    7.220
6585 CC1=C(C(=CC=C1)C)[N+]([O-])=O~    4.587
6586 COC1=CC=C(C=C1)C(N)=O~    9.883
6587 CC1=CC=CC(=C1N)C(O)=O~   10.374
6588 NC(=O)[CH](O)C1=CC=CC=C1~    9.851
6589 [O-][N+](=O)CCC1=CC=CC=C1~    5.346
6592 COC1=CC=C(NC=O)C=C1~    9.301
6594 COC(=O)C1=CC=C(C)N=C1~    7.300
6598 N[CH](C(O)=O)C1=CC=CC=C1~   10.042
6600 COC(=O)NC1=CC=CC=C1~    7.662
6601 CC1=CC(=CC(=C1N=O)C)O~    8.146
6603 CC1=CC(=C(C=C1)C(O)=O)N~   10.374
6605 NCC1=CC=C(C=C1)C(O)=O~   10.910
6606 CC(=O)OCC1=NC=CC=C1~    7.733
6608 CC1=CC(=C(C=C1)[N+]([O-])=O)C~    4.587
6609 CC1=CC(=C(N)C=C1)C(O)=O~   10.374
6611 NC1=CC=C(SCC(O)=O)C=C1~   12.384
6613 CC1=CC(=CC(=C1O)C)[N+]([O-])=O~    8.570
6615 COC1=C(C(=CC=C1)C)[N+]([O-])=O~    5.857
6618 CCOC1=CC(=CC=C1)[N+]([O-])=O~    5.777
6619 OC(=O)CNC1=CC=C(O)C=C1~   13.190
6620 CCOC1=CC=C(C=C1)[N+]([O-])=O~    5.777
6621 COC(=O)C1=CC(=C(O)C=C1)N~   11.893
6623 CC(C)=NOC(=O)C1=CC=CO1~    4.000
6624 COC1=CC(=CC=C1O)C=NO~   11.658
6627 NCC(=O)C1=CC(=C(O)C=C1)O~   15.662
6628 O[CH](C[N+]([O-])=O)C1=CC=CC=C1~    9.783
6629 CC1=C(O)C(=C(C=C1)C(O)=O)N~   14.357
6630 COC1=CC(=CC=C1C)[N+]([O-])=O~    5.857
6631 N[CH](C(O)=O)C1=CC=C(O)C=C1~   14.025
6635 NC1=CC=CC(=C1)OCC(O)=O~   11.227
6638 O=C1NC(=O)[CH]2[CH]3CC[CH](O3)[CH]12~   10.770
6639 C[CH](O)C1=C(C=CC=C1)[N+]([O-])=O~    8.943
6640 COC(=O)C1=C(O)C=C(N)C=C1~    8.793
6643 CC(=NO)C1=C(O)C(=C(O)C=C1)O~   18.272
6645 CC1=C(C(O)=O)C(=C(N1)C(O)=O)C~   14.349
6646 CCC(=O)OCN1C(=O)C=CC1=O~    9.057
6648 CC(C)C(=O)C1=CC=C(O1)[N+]([O-])=O~    7.167
6650 COC1=C(OC)C=C(C=C1)[N+]([O-])=O~    7.128
6652 COC1=CC(=CC(=N1)OC)C(O)=O~   10.384
6654 OC(=O)CC[C]1(CCC(=O)O1)C#N~    8.433
6655 CC1=C(O)C(=C(CO)C=N1)C(O)=O~   15.082
6656 OCCOC1=CC=C(C=C1)[N+]([O-])=O~   10.215
6657 OC(=O)CNS(=O)(=O)C1=CC=CC=C1~    9.860
6658 OS(=O)(=O)CC(=O)NC1=CC=CC=C1~   14.975
6659 CS(=O)(=O)NC1=CC=CC(=C1)C(O)=O~   10.629
6660 CC(=O)NC1=C(C=CC=C1)S(O)(=O)=O~   14.541
6662 CC1=CC=C(C=C1S(N)(=O)=O)C(O)=O~   11.028
6663 NC1=CC=C(CC(O)=O)C=C1S(O)(=O)=O~   17.137
6664 CCOS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O~    8.375
6665 CC1=CC(=C(CC#N)S1)C~    5.788
6666 C1CN=C(C1)C2=CC=CS2~    3.783
6668 CN(C(S)=S)C1=CC=CC=C1~    3.040
6669 CC1=C(NC(S)=S)C=CC=C1~    4.309
6670 CC1=CC(=CC=C1)NC(S)=S~    4.309
6671 CC1=CC=C(NC(S)=S)C=C1~    4.309
6672 CC1=CC=C2NC(=N)NC2=C1~   10.447
6673 NC1=CC=C(NCC#N)C=C1~   12.213
6675 [N-]=[N+]=NCCC1=CC=CC=C1~    4.721
6677 NC1=C(NCC#N)C=CC=C1~   12.213
6678 C1CN=C(N1)C2=CC=CN=C2~   10.292
6679 CC1=NC2=C(C=CC=C2)N1N~    9.260
6682 NNC(=O)C=CC1=CC=NC=C1~   14.842
6684 CC1=CC(=C2C(=O)NNC2=N1)C~   13.433
6685 NC1=CC2=C(NCC(=O)N2)C=C1~   13.951
6686 CC1=NC=C2CNC(=O)C2=C1N~   15.041
6687 NC(=S)NNC(=O)C1=CC=CC=C1~   12.374
6689 NC(=S)NN=CC1=CC=C(O)C=C1~   11.450
6691 NC(=S)NN=CC=CC1=CC=CO1~    7.606
6693 NC(=O)NN=CC1=CC=C(O)C=C1~   14.086
6694 NC(=O)NN=CC1=C(O)C=CC=C1~   14.086
6695 CC(=NN)C1=CC=C(C=C1)[N+]([O-])=O~    8.409
6696 CC1=C(NC(=O)C=NO)C=CC=N1~   13.971
6699 O=C1OCCN1N=CC2=CC=CN2~   10.857
6700 NC(=N)SCC1=CC=C(C=C1)[N+]([O-])=O~   12.112
6703 NC(=O)NN=CC1=C(O)C=C(O)C=C1~   18.069
6704 [O-][N+](=O)C1=CC=C(CSC2=NCCN2)O1~   11.785
6705 COC(=O)NNC1=CC=C(C=C1)[N+]([O-])=O~   12.444
6707 CCOC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O~   10.350
6708 OCCNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~   13.161
6709 CN(C)S(=O)(=O)C1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~   10.499
6710 OC(=O)CN(CC(O)=O)C1C(=O)NC(=O)NC1=O~   22.597
6711 NC(=S)NN=CC1=CC=CC=C1~    7.467
6712 NC(=N)NC1=NC2=CC=CC=C2N1~   15.057
6713 C=CCNC1=C2N=CNC2=NC=N1~   12.695
6714 CN1N=CC2=C1N=CN=C2N3CC3~   10.535
6715 CN1C=NC2=C1N=CN=C2N3CC3~   10.527
6716 CC1=NC2=C(N=C(N)N=C2)N=C1C~    9.627
6717 CC1=NC2=NC(=NC(=C2N=C1C)O)N~   13.611
6718 CCC(=O)NC1=C2N=CNC2=NC=N1~   15.520
6720 C1CN(CCO1)C2=NC=NC3=NSN=C23~   11.943
6721 CC(=O)CSC1=NC(=NC2=C1N=CN2)N~   12.721
6722 OC(=O)CCNC1=C2N=CNC2=NC=N1~   17.818
6725 C[CH](SC1=C2N=CNC2=NC(=N1)N)C(O)=O~   14.554
6727 OC[CH](NC1=C2N=CNC2=NC=N1)C(O)=O~   20.955
6728 CN1C(=O)N(C)C2=C(N(C)C(=N2)[N+]([O-])=O)C1=O~   12.851
6729 NC1=C2N=C(NC2=NC=N1)SCC=C~   14.570
6731 CC1=NC2=NC(=NC(=C2N=C1C)N)S~   12.600
6733 C1CC1C2=CC=CC=C2~    2.335
6734 C1CC2=C(C1)C=CC=C2~    2.416
6735 CC(=C)C1=CC=CC=C1~    2.364
6736 C=CCC1=CC=CC=C1~    2.107
6737 CC1=CC=C(NCC#N)C=C1~    8.719
6739 C[N+]1=C2C=CC=CC2=NC=C1~   11.216
6740 CC1=NC2=CC=C(C)C=C2N1~    6.351
6742 N#C[CH]1[CH]2CC[CH](C2)[CH]1C#N~    7.870
6743 N#CCNCC1=CC=CC=C1~    9.254
6744 OC1=C(C=CC=C1)C2=NCCN2~   11.391
6746 O=C1CCNC2=C(N1)C=CC=C2~   11.676
6749 O=C1CCN(N1)C2=CC=CC=C2~    9.633
6751 CCOC1=NC2=CC=C(N)C=C2S1~   10.983
6752 CC(=O)NC1=CC=C(C=C1)C(N)=S~   12.348
6753 CCOC1=CC=C2NC(=N)SC2=C1~   10.021
6754 CC(=O)NC1=CC=C(C=C1)C=NO~   12.388
6756 CC(=NO)C(=NO)C1=CC=CC=C1~   10.423
6757 CC1=CC=C(NC=O)C=C1NC=O~   10.635
6761 CC1=C(C=CC=C1)N=CC[N+]([O-])=O~    5.991
6762 CC1=C(NC(=O)C=NO)C=CC=C1~   11.088
6763 COCC1=CC(=C(C#N)C(=N1)O)C~   12.996
6764 C[N+]1=NOC(=C1C2=CC=CC=C2)O~   14.406
6765 CC1=CC=C(NC=CC(O)=O)N=C1~   13.305
6769 CC1=CC=C(NC(=O)C=NO)C=C1~   11.088
6770 NC(=O)NC(=O)CC1=CC=CC=C1~   11.060
6771 CCOC(=O)C1=CNC(=C1C)C#N~    9.082
6772 NC(=O)CNC(=O)C1=CC=CC=C1~   10.633
6774 OC1=C[N+](=NO1)CC2=CC=CC=C2~   14.384
6777 COC1=CC2=C(SC(=N)N2)C=C1OC~   11.372
6778 NC(=O)SCC(=O)NC1=CC=CC=C1~    9.987
6779 O=C1CCN(CC2=CC=CO2)C(=S)N1~   10.057
6780 CN(C(C)=O)C1=CC=C(C=C1)[N+]([O-])=O~    9.302
6782 CC(=O)NC1=C(C=C(C)C=C1)[N+]([O-])=O~    9.231
6783 NC1=CC=C(C=C1)C(=O)NCC(O)=O~   15.593
6784 CC(=O)NC1=CC(=CC(=C1)N)C(O)=O~   16.358
6787 OC(=O)CNC(=O)NC1=CC=CC=C1~   13.183
6789 CC(=O)NC1=C(C)C=C(C=C1)[N+]([O-])=O~   10.570
6790 COC1=CC=C(NC(=O)C=NO)C=C1~   12.359
6791 COC1=C(NC(=O)C=NO)C=CC=C1~   12.359
6792 CC(=O)NC1=CC(=CC=C1C)[N+]([O-])=O~   10.570
6794 COC1=CC=C(C=C1)[N+]2=NOC(=C2)O~   18.287
6795 O=C1CCN(CC2=CC=CO2)C(=O)N1~   10.733
6796 CCOC(=O)C(=O)CC1=CN=CC=N1~   10.393
6797 COC1=CC=C(C=C1)C=NNC(O)=O~   11.801
6798 COC1=C(C=CC=C1)C=NNC(O)=O~   11.801
6800 OC(=O)CN(CC1=CC=CC=C1)N=O~   10.609
6801 NC(=O)SCC(=O)NC1=C(O)C=CC=C1~   13.971
6802 NC(=O)SCC(=O)NC1=CC(=CC=C1)O~   13.971
6803 NC(=O)SCC(=O)NC1=CC=C(O)C=C1~   13.971
6804 OC(=O)[CH]1CCC2=C(C1)C(=NC(=N2)S)O~   14.094
6808 O=C1CCC2(CCC(=O)NC2=O)C(=O)N1~   17.014
6810 COC1=C(C=C(NC(C)=O)C=C1)[N+]([O-])=O~   11.842
6811 N[CH](CC1=CC=C(C=C1)[N+]([O-])=O)C(O)=O~   12.323
6812 NC1=CC(=CC(=C1)C(O)=O)NC(=O)CO~   17.164
6813 OC(=O)[CH]1CCC2=C(C1)C(=NC(=N2)O)O~   18.654
6814 N[CH](CC1=CC(=CC=C1)[N+]([O-])=O)C(O)=O~   12.323
6815 N[CH](CC1=C(C=CC=C1)[N+]([O-])=O)C(O)=O~   12.323
6820 N[CH](CC(O)=O)C1=CC(=CC=C1)[N+]([O-])=O~   13.623
6822 OCCNC(=O)C1=CC=C(C=C1)[N+]([O-])=O~   15.031
6823 CC[CH](SC1=C(C=CC=C1)[N+]([O-])=O)[N+]([O-])=O~    9.205
6825 CC(=O)OC(OC(C)=O)[CH](CSC#N)SC#N~   12.583
6826 CC(C)C1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O~    7.270
6827 CCC1=C(C(=C(C(=C1)O)[N+]([O-])=O)C)[N+]([O-])=O~    7.351
6828 CC(C)C1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O~    7.270
6829 CC[CH](O[N+]([O-])=O)C1=CC=C(C=C1)[N+]([O-])=O~    6.955
6830 N[CH](CC1=CC(=C(O)C=C1)[N+]([O-])=O)C(O)=O~   12.807
6831 N[CH](CS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(O)=O~   16.001
6832 CN(C)C1=CC=C(SC#N)C=C1~    6.857
6833 C(CC1=CC=CC=C1)C2=NN=NN2~    7.141
6836 CC1=CC2=C(O)N=C(N)N=C2N=C1C~   13.227
6837 NC(=S)NC(=N)NC(=O)C1=CC=CC=C1~   15.163
6838 SC1=C2N=CN([CH]3CCCO3)C2=NC=N1~   10.738
6840 CCOC(=O)CN1C=NC2=C1N=CN=C2~   10.873
6843 CCOC(=O)CSC1=C2N=CNC2=NC=N1~   12.148
6846 CCC=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~    8.514
6847 CC(C)=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~    8.514
6848 CN1C(=O)N(C)C2=C(N=C(CC(O)=O)N2)C1=O~   16.860
6849 CC(C)(N=NC1=CC=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~    9.633
6852 CC1=CC2=C(S)N=C(N)N=C2N=C1C~    8.668
6853 N#CCN(CC#N)CN(CC#N)CC#N~   18.770
6854 N=C1NC(=N)N(C(=N)N1)C2=CC=CC=C2~   16.407
6858 ON(O)NC(=N)NN=C1C(=O)NC2=C1C=CC=C2~   24.192
6859 OS(=O)(=O)C1=CC=C(C=C1)N2C(=N)NC(=N)NC2=N~   22.738
6860 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=NN2~   16.519
6861 OC1=C(CC=C)C=CC=C1~    6.090
6862 C1O[CH]1CC2=CC=CC=C2~    4.889
6864 C[CH](C=O)C1=CC=CC=C1~    5.138
6865 OCC=CC1=CC=CC=C1~    6.801
6866 O=CCCC1=CC=CC=C1~    5.138
6867 CC(=O)C1=CC=C(C)C=C1~    4.967
6869 CC(=O)CC1=CC=CC=C1~    5.398
6870 CCC(=O)C1=CC=CC=C1~    4.886
6871 OC1CC2=CC=CC=C2C1~    6.854
6872 O[CH]1CCC2=C1C=CC=C2~    6.854
6873 C[C]1(CO1)C2=CC=CC=C2~    4.889
6875 CC(=O)C1=CC(=CC=C1)C~    4.967
6877 C1CS[CH](O1)C2=CC=CC=C2~    6.485
6879 C1O[CH]1COC2=CC=CC=C2~    6.161
6880 CCOC1=C(C=O)C=CC=C1~    5.979
6881 CC(=O)COC1=CC=CC=C1~    5.818
6884 CC(=O)OCC1=CC=CC=C1~    4.848
6885 CC(=O)OC1=CC(=CC=C1)C~    4.146
6886 COC1=CC=C(C=C1)C(C)=O~    6.237
6887 CC(=O)OC1=C(C)C=CC=C1~    4.146
6889 OC(=O)CCC1=CC=CC=C1~    7.231
6890 COC(=O)C1=C(C)C=CC=C1~    4.417
6891 COC(=O)CC1=CC=CC=C1~    4.848
6892 CC1=C(CC(O)=O)C=CC=C1~    7.312
6893 COC(=O)C1=CC(=CC=C1)C~    4.417
6895 COC(=O)C1=CC=C(C)C=C1~    4.417
6898 CCC(=O)C1=CC=C(O)C=C1~    8.866
6899 CC1=CC(=CC(=C1)C(O)=O)C~    6.879
6901 CC(=O)OC1=CC=C(C)C=C1~    4.146
6902 CC(=O)C1=C(O)C(=CC=C1)C~    5.848
6905 OC(=O)CCSC1=CC=CC=C1~    8.810
6907 CSCC1=CC2=C(OCO2)C=C1~    7.133
6909 C[CH](OC1=CC=CC=C1)C(O)=O~    7.652
6911 COC1=CC(=CC=C1O)C(C)=O~   10.219
6912 C[CH]1C=CC[CH]2[CH]1C(=O)OC2=O~    4.600
6914 COC1=C(OC(C)=O)C=CC=C1~    5.417
6915 CCOC(=O)C=CC1=CC=CO1~    5.261
6916 CC1=C(OCC(O)=O)C=CC=C1~    7.733
6921 COC(=O)[CH](O)C1=CC=CC=C1~    5.656
6922 C[CH](O)C1=CC2=C(OCO2)C=C1~    9.475
6924 CCOC(=O)C1=C(O)C=CC=C1~    5.219
6927 CCOC1=CC=C(C=C1)C(O)=O~    8.070
6928 O[CH](CC(O)=O)C1=CC=CC=C1~   11.668
6929 COC1=C(CC(O)=O)C=CC=C1~    8.582
6930 OC[CH](C(O)=O)C1=CC=CC=C1~   11.668
6931 COC1=CC=CC(=C1)OC(C)=O~    5.417
6933 CC(=C)C(=O)OCC1=CC=CO1~    4.932
6936 COC1=CC(=C(C=O)C=C1)OC~    7.328
6937 COC1=CC=C(CC(O)=O)C=C1~    8.582
6938 COC1=C(O)C=C(C=C1)C(C)=O~   10.219
6939 COC(=O)COC1=CC=CC=C1~    5.270
6943 CC1=CC=CC(=C1)OCC(O)=O~    7.733
6947 OC(=O)CCC1=CC(=CC=C1)O~   11.214
6948 OC(=O)CCC1=CC=C(O)C=C1~   11.214
6949 CC(=O)OC1=CC=C(CO)C=C1~    8.582
6950 COC1=CC=C(OC(C)=O)C=C1~    5.417
6951 COC1=CC=CC(=C1O)C(C)=O~    7.119
6952 CS(=O)(=O)CC(=O)C1=CC=CC=C1~    9.080
6955 COC1=C(OCC(O)=O)C=CC=C1~    9.003
6956 COC1=CC(=C(C=C1)C(O)=O)OC~    9.421
6959 OC(=O)C1C2CC3OC(=O)C1C3C2~    9.336
6962 COC(=O)C1=C(O)C=C(OC)C=C1~    6.570
6963 COC1=C(C(O)=O)C(=CC=C1)OC~    9.421
6964 OCCOC1=CC2=C(OCO2)C=C1~   10.745
6965 CC1(C)CC(=O)C2=C(O1)C(=O)OC2~    7.983
6966 COC(=O)C1=C(O)C=C(C)C=C1O~    6.182
6967 COC1=CC=CC(=C1)OCC(O)=O~    9.003
6968 COC1=C(O)C(=CC(=C1)C=O)OC~   11.311
6969 C[C]12CC[CH](O1)[CH]3[CH]2C(=O)OC3=O~    7.854
6971 COC1=CC(=C(OC)C=C1)C(O)=O~    9.421
6972 COC1=CC=C(OCC(O)=O)C=C1~    9.003
6973 COC1=C(O)C(=C(C=C1)C(C)=O)O~   11.102
6975 CC1=CC=C(C=C1)S(=O)(=O)CC(O)=O~   10.991
6976 COC1=C(O)C(=CC(=C1)C(O)=O)OC~   13.403
6977 OCCOC(=O)C1=CC(=C(O)C=C1)O~   16.740
6979 OC(=O)C1C2CC(C3OC23)C1C(O)=O~   14.273
6982 COC1=C(O)C(=C(C(C)=O)C(=C1)O)O~   11.983
6983 CC1=CC=C(C=C1)S(=O)(=O)OCC(O)=O~   10.330
6985 C=CCNC1=CC=CC=C1~    5.260
6986 CNC1=C(C=C)C=CC=C1~    5.670
6987 CCC1=CC=C(C=C)N=C1~    5.276
6989 C1CC2=C(CN1)C=CC=C2~    6.185
6990 C1CN1CC2=CC=CC=C2~    5.886
6991 N#C[CH]1C[CH]2CC[CH]1C=C2~    4.420
6994 CCOC(=N)C1=CC=CC=C1~    5.558
6995 CC(=O)NC1=CC(=CC=C1)C~    8.167
6996 CCC(=O)C1=CC=C(N)C=C1~    8.337
6997 CC(=O)NC1=C(C)C=CC=C1~    8.167
7001 CC(=O)NCC1=CC=CC=C1~    8.703
7002 CC1=[N+](C)C2=C(O1)C=CC=C2~   10.790
7004 C[CH](C(N)=O)C1=CC=CC=C1~    8.921
7005 NCCC(=O)C1=CC=CC=C1~    8.873
7006 CC(CC1=CC=CC=C1)=NO~    6.201
7007 CNC(=O)C1=C(C)C=CC=C1~    8.270
7009 CCNC(=O)C1=CC=CC=C1~    8.190
7011 CCC(=O)CC1=CC=NC=C1~    8.158
7013 CCC(=O)CC1=CC=CN=C1~    8.158
7014 CCC(=O)CC1=CC=CC=N1~    8.158
7015 CCN(C=O)C1=CC=CC=C1~    6.638
7018 CC1=CC=CC(=C1C)NC=O~    7.987
7019 CC1=C(C)C=C(NC=O)C=C1~    7.987
7021 NC(=O)CSCC1=CC=CC=C1~   11.016
7022 CNC(=O)SC1=CC(=CC=C1)C~    6.426
7023 CSC1=C(NC(C)=O)C=CC=C1~    9.745
7024 NCCSC(=O)C1=CC=CC=C1~    8.772
7025 CCOC(=S)NC1=CC=CC=C1~    6.081
7026 O=C1NC(=S)SC1=C2CCCCC2~    6.932
7030 COC1=CC=CC(=C1)NC(C)=O~    9.438
7031 CN(C(C)=O)C1=C(O)C=CC=C1~   10.879
7032 OCCN=CC1=C(O)C=CC=C1~   11.703
7033 CCOC(=O)C1=C(N)C=CC=C1~    7.788
7034 OCNC(=O)CC1=CC=CC=C1~   11.839
7035 COC1=CC=C(NC(C)=O)C=C1~    9.438
7040 CN(C)C1=CC(=CC=C1)C(O)=O~    8.764
7041 CNC1=C(C=CC=C1)C(=O)OC~    7.570
7043 CC1=CC(=C(C=C1C)[N+]([O-])=O)C~    4.544
7044 C[CH](O)C(=O)NC1=CC=CC=C1~    8.893
7045 CC(C)C1=CC=C(C=C1)[N+]([O-])=O~    4.384
7046 CCC1=CC=CC(=C1N)C(O)=O~   10.251
7047 C[CH](C1=CC=C(C)C=C1)[N+]([O-])=O~    5.303
7050 C[C](N)(C(O)=O)C1=CC=CC=C1~    9.921
7051 CN(C)C1=CC=C(C=C1)C(O)=O~    8.764
7052 CC(=O)NC1=CC(=C(O)C=C1)C~   12.149
7053 NCC(=O)OCC1=CC=CC=C1~    7.536
7054 CN[CH](C(O)=O)C1=CC=CC=C1~    9.701
7055 NC(=O)[CH](CO)C1=CC=CC=C1~   13.359
7059 NC1=CC=C(CCC(O)=O)C=C1~   10.684
7060 OC(=O)CNCC1=CC=CC=C1~    9.701
7061 CC(=O)OCCC1=NC=CC=C1~    7.609
7063 NC(=O)C[CH](O)C1=CC=CC=C1~   13.359
7064 NCCC1=CC2=C(OCO2)C=C1~    9.025
7065 CCOC1=C(C=CC=C1)C(N)=O~    9.759
7066 COC(=O)NCC1=CC=CC=C1~    8.154
7067 NC(=O)OCCC1=CC=CC=C1~    8.373
7069 CC1(C)OC2=CC=C(N)C=C2O1~    8.409
7071 CC1=C(N)C(=CC(=C1)C(O)=O)C~   10.331
7073 CCOC(=O)C1=CC(=CC=C1)N~    7.788
7074 CCOC(=O)C1=CC=C(N)C=C1~    7.788
7075 COC1=CC=C(C=C1)C(=O)CN~    8.924
7076 CN(C)C1=C(C=CC=C1)C(O)=O~    8.764
7077 COC1=CC=C(C=C1)C(C)=NO~    7.551
7079 CC(=NO)[CH](O)C1=CC=CC=C1~   10.638
7080 CC1=CC=C(NCC(O)=O)C=C1~    9.164
7081 N[CH](CSC1=CC=CC=C1)C(O)=O~   11.498
7082 NC1=CC=C(C=C1)S(=O)(=O)CC=C~    9.237
7084 CNCC(=O)C1=CC(=C(O)C=C1)O~   15.320
7090 C[CH]([CH](O)C1=CC=CC=C1)[N+]([O-])=O~    9.660
7091 COC1=CC(=CC(=C1)OC)C(N)=O~   11.111
7092 CCOC(=O)C1=CC(=O)N(C)C=C1~   10.305
7093 COC1=CC(=C(C=C1)C=NO)OC~    8.903
7094 COC1=CC=CC(=C1OC)C=NO~    8.903
7095 COC1=C(OC)C=C(C=C1)C=NO~    8.903
7096 COC1=CC(=C(OC)C=C1)NC=O~   10.529
7098 ON[CH](CC(O)=O)C1=CC=CC=C1~   13.917
7099 CNC(=O)OC1=CC(=CC=C1)OC~    8.721
7100 CNC(=O)OC1=CC=C(OC)C=C1~    8.721
7101 CC1=C(N)C=C(OCC(O)=O)C=C1~   11.184
7102 CCOC(=O)C1=CNC(=C1C)C=O~    9.670
7104 NC1=C(OCCC(O)=O)C=CC=C1~   11.955
7105 COC1=CC(=C(C=C1)C(N)=O)OC~   11.111
7107 COC1=CC(=C(NC=O)C=C1)OC~   10.529
7108 N[CH](COSC1=CC=CC=C1)C(O)=O~   11.686
7109 OCC(CO)(C1=CC=CC=C1)[N+]([O-])=O~   11.096
7111 N[CH](CC1=CC(=C(O)C=C1)O)C(O)=O~   17.886
7112 CCOC(=O)C1=C(C)C(=CN1)C(O)=O~   11.764
7113 CCCCC(=O)C1=CC=C(O1)[N+]([O-])=O~    7.044
7116 CCOC(=O)C1=CC=C(C=C1)S(N)(=O)=O~    8.442
7117 OC(=O)CNS(=O)(=O)CC1=CC=CC=C1~   10.255
7118 N[CH](CS(=O)(=O)C1=CC=CC=C1)C(O)=O~   13.597
7119 CC1=CC=C(C=C1)S(=O)(=O)NCC(O)=O~    9.818
7120 COC1=C(OC)C(=CC(=C1)[N+]([O-])=O)OC~    8.357
7122 COC1=C(OC)C=C(C=C1)C=NS(O)(=O)=O~    9.113
7123 OS(=O)(=O)CNC(=O)OCC1=CC=CC=C1~   12.251
7124 CCNC1=C(C=C(C=C1)S(O)(=O)=O)C(O)=O~   16.282
7125 CC1=[N+](C)C2=C(S1)C=CC=C2~   11.056
7126 CCSC(=N)C1=CC=CC=C1~    5.597
7128 CCN(C(S)=S)C1=CC=CC=C1~    2.917
7136 COC1=C(C=CC=C1)C=NNC(N)=O~   11.332
7138 NC(=O)NC(=O)CC1=CC=C(N)C=C1~   14.511
7141 CCOC=NNC(=O)C1=CC=NC=C1~   12.921
7145 NC(=O)SCC(=O)NNC1=CC=CC=C1~   12.368
7146 CS(=O)(=O)C1=CC=C(C=C1)C=NNC(N)=S~   11.103
7147 NC1=CC=C(C=C1)S(=O)(=O)NC2=NCCS2~   12.991
7148 C=CCN1C(=O)NC(=O)N(CC=C)C1=O~   13.139
7151 NC(=O)SCC(=O)NC1=CC=C(C=C1)S(N)(=O)=O~   14.094
7152 COC1=C(C=C(C=C1)C=NNC(N)=S)S(O)(=O)=O~   15.026
7153 OC[CH](O[CH](C=O)N1C=CC(=N)NC1=O)C=O~   17.991
7154 C[CH](OC(C)=O)N(C(C)=O)C1=NC=C(S1)[N+]([O-])=O~   13.650
7155 OC(=O)CCN1C(=O)NC(=O)N(CCC(O)=O)C1=O~   23.387
7156 CC(=NNC(N)=S)C1=CC=CC=C1~    7.344
7157 N=C1NN=NN1CCC2=CC=CC=C2~   11.021
7158 CN1N=CC2=C(NCC=C)N=CN=C12~   11.373
7160 CCN1C=NC2=C1N=CN=C2N3CC3~   10.405
7161 N[CH](CC1=CC=CC=C1)C2=NN=NN2~   11.128
7162 NC(=N)[CH](N=NC1=CC=CC=C1)C(N)=O~   15.139
7163 CC(=O)NCCSC1=C2N=CNC2=NC=N1~   16.001
7164 CC1=NC(=NC(=C1[N+]([O-])=O)N2CC2)N3CC3~    7.314
7165 CC[CH](NC1=C2N=CNC2=NC=N1)C(O)=O~   16.395
7166 [O-][N+](=O)C1=CC=C(NNC(=S)NCC=C)N=C1~   14.266
7167 CN1C(=C(NC(=O)CC#N)C(=O)N(C)C1=O)N~   18.785
7168 C[CH](O)[CH](NC1=C2N=CNC2=NC=N1)C(O)=O~   20.833
7169 NS(=O)(=O)C1=CC=C(C=C1)N2C(=N)NC(=N)NC2=N~   20.513
7171 CC(CSC1=C2N=CNC2=NC=N1)=NNC(N)=S~   14.642
7172 CC1=C(C)C(=CC=C1)C~    2.140
7173 CC(C)C1=CC=CC=C1~    1.979
7174 CC1=CC(=CC(=C1)C)C~    2.140
7175 CCCC1=CC=CC=C1~    1.979
7177 C1CN1CCC2=CC=CC=N2~    8.646
7178 CN1C=[N+](C)C2=C1C=CC=C2~    9.777
7179 CC1=NC2=C(CCCC2)C=N1~    5.516
7180 CC1=CC2=C(NCCN2)C=C1~    8.801
7182 CC1=C2CCCCC2=NC(=N1)O~    9.499
7183 CN(C(C)=O)C1=CC=C(N)C=C1~   10.350
7185 CC(=O)NC1=C(C)C=CC(=C1)N~   11.618
7186 CC1=C(O)N=C2CCCC2=C1N~   12.690
7188 CC1=NC(=C2CCCCC2=N1)O~    9.499
7190 NC(=O)NCCC1=CC=CC=C1~   10.066
7191 NC(=O)C1=CC=C[N+](=C1)CC=C~   16.090
7192 CN(C)C(=O)C1=CC=C(N)C=C1~   11.424
7194 CCCON=CC1=NC=CC=C1~    6.578
7195 CCCON=CC1=CC=NC=C1~    6.578
7196 CCCON=CC1=CN=CC=C1~    6.578
7198 COC1=CC2=C(CCCC2)N=N1~    5.836
7199 CC(=O)NCCC1=NC=CC=C1~   11.463
7200 CCCC(=O)CC1=CN=CC=N1~    8.418
7201 CC(C)C(=O)CC1=CN=CC=N1~    8.418
7203 COC1=CC=C(C=C1)C(C)=NN~    7.233
7204 CCNC(=O)NC1=CC=CC=C1~    9.231
7205 CC(=O)NCC1=CC=C(N)C=C1~   12.154
7206 NNC(=O)CCSC1=CC=CC=C1~   12.879
7208 CCOC1=CC=C(NC(N)=S)C=C1~    8.165
7212 NN[CH](CC1=CC=CC=C1)C(O)=O~   12.298
7213 COC1=CC=C(NC(=O)CN)C=C1~   12.126
7217 COC1=CC(=C(NC(C)=O)C=C1)N~   12.889
7218 N[CH](CC1=CC=C(N)C=C1)C(O)=O~   13.371
7219 O=C1NC(=O)C(N1)(C2CC2)C3CC3~    8.777
7220 COC1=CC=C(NNC(C)=O)C=C1~   11.818
7221 N[CH](CSC1=C(N)C=CC=C1)C(O)=O~   14.951
7222 ON=C1SC(=S)N(C2CCCCC2)C1=O~    9.903
7223 N[CH](CC1=CC=C(O)C=C1)C(=O)NO~   18.290
7224 C[CH](CC1=CC=CO1)C(=O)NC(N)=O~   10.815
7227 CC(=O)N1C(=O)NC(=O)C12CCCC2~   11.157
7228 C[CH](NS(=O)(=O)C1=CC=CC=C1)C(N)=O~   11.428
7230 CCS(=O)(=O)C1=CC=C(C=C1)C(=O)NN~   14.547
7232 CC(=O)NC1=CC(=C(C=C1)S(N)(=O)=O)C~   12.272
7233 CC(=O)NCC1=CC=C(C=C1)S(N)(=O)=O~   12.810
7234 CCCCSC1=NC(=CC(=N1)C(O)=O)O~   13.790
7236 CCOC(=O)C1=C(C)C(=C(C)N1)[N+]([O-])=O~    9.428
7237 CCOC=C(C#N)C(=O)NC(=O)OCC~   10.408
7238 CCCCOC(=O)C1=CC(=NC(=N1)O)O~   15.322
7239 CCCCOC(=O)C1=C(O)N=C(O)N=C1~   12.222
7240 CCOC(=O)C1=C(SC(=N)N1)C(=O)OCC~   12.087
7241 CCCNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O~    8.190
7243 COC(=O)CC1=C(N=C(N1)SC)C(=O)OC~   11.733
7244 CN(C)S(=O)(=O)C1=CC=C(C)C(=C1)[N+]([O-])=O~    8.053
7246 COC(=O)CCC1=C(NC(=O)N1)C(=O)OC~   12.499
7249 C[CH](NC(N)=S)C1=CC=CC=C1~    7.429
7250 NC(=N)SCCC1=CC=CC=C1~    9.585
7251 CN(C)C(=S)NC1=CC=CC=C1~    6.377
7254 CCCCOC1=C2N=CNC2=NC=N1~    9.600
7255 CCOCCSC1=C2N=CNC2=NC=N1~   11.333
7256 NC1=NC(=NC(=N1)OCC=C)OCC=C~    6.119
7258 NC(=O)[CH]1CCC2=C(C1)C(=NC(=N2)N)O~   16.262
7259 CC(C)CN1C=NC2=C1N=C(O)N=C2O~   15.971
7260 NC1=NC2=C(C[CH](CC2)C(O)=O)C(=N1)N~   14.041
7261 CCOCCOC1=C2N=CNC2=NC=N1~   11.656
7264 CSC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C~   11.983
7265 CCN1C(=S)NC2=C1N(C)C(=O)N(C)C2=O~    9.939
7269 CC1=C(O)C(=C(CO)C=N1)C=NNC(N)=S~   18.684
7270 OCCSC1=NC(=C2N=CNC2=N1)SCCO~   15.220
7272 CN1C(=O)N(C)C2=C(N(C)C(=O)N2C)C1=O~   15.556
7274 CN(C)NC(=O)NC1=C(C=CC=C1)[N+]([O-])=O~   12.456
7275 C[CH](O)C1=NC2=C(N1)N(C)C(=O)N(C)C2=O~   16.046
7276 COCC1=NC2=C(N1)N(C)C(=O)N(C)C2=O~   13.664
7277 CN1C(=O)N(C)C2=C(N(C)C(=N2)CO)C1=O~   14.842
7278 NC(=O)NC(NC(N)=O)C1=C(O)C=CC=C1~   22.836
7279 [O-][N+](=O)C1=C(N=CN1)C(=O)N2CCCCC2~   13.519
7280 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(N)=N~   17.484
7281 CN(C)C(=O)N(C)N=CC1=CC=C(O1)[N+]([O-])=O~   11.484
7282 NC(=O)N(CCCO)N=CC1=CC=C(O1)[N+]([O-])=O~   16.358
7283 C[CH](O)CN(N=CC1=CC=C(O1)[N+]([O-])=O)C(N)=O~   16.358
7285 CCCCN1C=NC2=C1N=CN=C2S~    7.427
7286 CCCSC1=C2N=C(C)NC2=NC=N1~    9.359
7287 CC(C)SC1=C2N=C(C)NC2=NC=N1~    9.359
7288 CC(C)CSC1=C2N=CNC2=NC=N1~    9.278
7289 CC[CH](C)SC1=C2N=CNC2=NC=N1~    9.278
7290 S=C1N(CCC#N)CCN1CCC#N~   12.309
7291 CCN1C=NC2=C1N=C(CC)N=C2S~    7.507
7292 CCCCSC1=C2C=NNC2=NC=N1~    9.286
7293 C1CN1C2=NC(=NC(=N2)N3CC3)N4CC4~    8.830
7294 NC(=N)C(N=NC1=CC=CC=C1)C(N)=N~   15.008
7295 C1CCN(CC1)C2=C3N=NNC3=NC=N2~   11.886
7296 NC(=N)NC(=N)NC1=CC=C(C=C1)C(N)=O~   22.445
7298 ON(O)NC(=N)NCC1=NC2=CC=CC=C2N1~   23.325
7300 CN1C(=O)N(C)C2=C(N=C(CNC(N)=O)N2)C1=O~   22.896
7301 CN1C(=O)N(C)C2=C(N=C(N2)N=NSCCO)C1=O~   17.857
7302 CN1C(=O)N(C)C2=C(N=C(N2)N(CCO)N=O)C1=O~   19.137
7303 NC1=NC(=C2N=NN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=N1)O~   22.785
7304 CC(C)(O)C1=CC=CC=C1~    6.417
7305 CC(C)C1=CC=C(O)C=C1~    5.963
7306 CC(C)C1=CC(=CC=C1)O~    5.963
7307 CC(C)C1=C(O)C=CC=C1~    5.963
7309 CCC1=CC=C(OC)C=C1~    3.331
7310 CC1=CC=C(CCO)C=C1~    6.496
7311 CC1=CC(=C(C)C(=C1)O)C~    6.123
7312 CC1=CC(=C(O)C(=C1)C)C~    6.123
7313 CCOC1=CC(=CC=C1)C~    3.331
7314 CCOC1=CC=C(C)C=C1~    3.331
7316 CCC1=CC(=CC(=C1)O)C~    6.043
7317 OCCCC1=CC=CC=C1~    6.417
7318 CC1=C(C)C=C(CO)C=C1~    6.577
7319 O=CC=C[CH]1CCC=CC1~    4.048
7321 CO[CH](C)C1=CC=CC=C1~    4.034
7323 CC[CH](O)C1=CC=CC=C1~    6.417
7324 C[CH](O)C1=CC=C(C)C=C1~    6.496
7326 OC[CH](O)CC1=CC=CC=C1~    7.854
7327 CCCOC1=C(O)C=CC=C1~    7.234
7328 COC1=C(OC)C=C(C)C=C1~    4.682
7330 C[CH]1[CH]2C[CH](C=C2)[CH]1C(O)=O~    6.167
7332 CC1=C(OCCO)C=CC=C1~    7.767
7333 CCCCC(=O)C1=CC=CO1~    4.640
7334 CC(C)CC(=O)C1=CC=CO1~    4.640
7335 CC(=O)O[CH]1C[CH]2C[CH]1C=C2~    3.785
7336 CC(C)OC1=CC(=CC=C1)O~    7.234
7337 COCC1=CC=C(OC)C=C1~    5.385
7339 OCCC1=C(CO)C=CC=C1~    7.936
7340 O=COC[CH]1C[CH]2C[CH]1C=C2~    3.526
7342 CCCCOC(=O)C1=CC=CO1~    4.092
7343 COC1=C(OC)C=C(CO)C=C1~    9.119
7344 COC1=C(OC)C(=CC=C1)OC~    5.951
7345 CC1=CC(=C(O)C(=C1)CO)CO~   11.996
7347 CC(C)C(=O)OCC1=CC=CO1~    4.604
7348 C=CCOC(=O)[CH]1CCC=CO1~    3.936
7349 COC1=CC(=CC=C1O)[CH](C)O~   11.750
7351 CS(=O)(=O)C[CH](O)C1=CC=CC=C1~   10.611
7352 CCCOS(=O)(=O)C1=CC=CC=C1~    5.848
7353 CC1=CC(=C(C(=C1)C)S(O)(=O)=O)C~    8.471
7354 CCOS(=O)(=O)C1=CC=C(C)C=C1~    5.928
7355 COC(=O)C(=O)[CH]1CCCCC1=O~    9.315
7356 C[CH]1CC2(C[CH](C)OC2=O)C(=O)O1~    6.599
7357 C=CCOC(=O)CC(=O)OCC=C~    6.143
7358 OC(=O)C=C(C1CCCC1)C(O)=O~   11.538
7360 C[C]1(CCCC=C1C(O)=O)C(O)=O~   11.264
7361 OC(=O)[CH]1[CH]2CC[CH](C2)[CH]1C(O)=O~   11.364
7362 OC(=O)C1CC2(C1)CC(C2)C(O)=O~   11.364
7363 CS(=O)(=O)OCCOC1=CC=CC=C1~    7.635
7364 COC1=CC(=CC=C1O)[CH](C)S(O)(=O)=O~   14.080
7365 OC(=O)CCC(CCC(O)=O)(C(O)=O)C(O)=O~   21.155
7366 OC(=O)C1OCC2(CO1)COC(OC2)C(O)=O~   17.182
7367 CCSC1=CC=C(C)C=C1~    3.638
7368 CC(C)C1=C(S)C=CC=C1~    2.991
7369 CC1=CC(=C(N)C(=C1)C)C~    5.592
7370 CCCC1=NC(=CC=C1)C~    4.821
7371 CCCCC1=CC=CC=N1~    4.740
7372 CCCCC1=CC=NC=C1~    4.740
7373 CN(C)C1=C(C)C=CC=C1~    4.025
7374 CN(C)C1=CC=C(C)C=C1~    4.025
7375 CN(C)C1=CC=CC(=C1)C~    4.025
7376 CCN(C)C1=CC=CC=C1~    3.943
7377 CC(C)(C)C1=CC=NC=C1~    4.740
7379 CN(C)CC1=CC=CC=C1~    5.530
7380 CC(C)C1=CC=C(N)C=C1~    5.432
7382 CCNC1=CC(=CC=C1)C~    5.213
7383 CCNC1=C(C)C=CC=C1~    5.213
7386 CNCCC1=CC=CC=C1~    5.750
7387 CC(C)C1=CC=C(C)C=N1~    4.821
7388 CC1=CC=CC(=C1)CCN~    6.048
7389 C[CH](N)CC1=CC=CC=C1~    5.967
7391 C1NC[CH]2[CH]3C[CH](C=C3)[CH]12~    5.040
7392 CC[CH](N)C1=CC=CC=C1~    5.967
7394 CC[CH](C)C1=CC=CC=N1~    4.740
7396 CC(C)CC1=CC=NC=C1~    4.740
7400 CC1=CC=C(NCCO)C=C1~    9.650
7401 CN(C)C1=C(C)C=CC(=C1)O~    8.007
7402 CN(C)C1=C(C)C=C(O)C=C1~    8.007
7403 CN(CCO)C1=CC=CC=C1~    8.381
7405 C[N+](C)([O-])CC1=CC=CC=C1~   12.625
7406 OCCNCC1=CC=CC=C1~   10.186
7407 CN(C)CC1=C(O)C=CC=C1~    9.513
7409 C=CCN(CC=C)C(=O)C=C~    7.310
7410 N[CH](CO)CC1=CC=CC=C1~   10.405
7411 CO[CH](CN)C1=CC=CC=C1~    8.022
7412 CNC[CH](O)C1=CC=CC=C1~   10.186
7415 OCCCNC1=CC=CC=C1~    9.570
7416 CCOCCC1=CC=NC=C1~    6.793
7419 CCOC1=C(N)C=C(C)C=C1~    6.783
7420 CC[CH](O)C1=CC=C(N)C=C1~    9.870
7421 COC1=CC=C(C=C1)[CH](C)N~    7.319
7423 CC(C)(O)CC1=CC=CN=C1~    9.177
7425 CCCC1=C(O)C(=CC=C1)N~    9.415
7426 CN(C)C1=CC=C(CO)C=C1~    8.461
7427 CN(C)CCC(=O)C1=CC=CS1~    8.455
7428 C1CN(CCO1)CC2=CC=CS2~    7.959
7430 CCOC(=O)C1=C(C)C=C(C)N1~    7.025
7432 NC(CO)(CO)C1=CC=CC=C1~   11.842
7433 CCOC(=O)C1=C(C)NC=C1C~    7.025
7434 CNC[CH](O)C1=CC(=CC=C1)O~   14.169
7435 CCOC(=O)C1=C(C)NC(=C1)C~    7.025
7436 CCOC(=O)C1=CNC(=C1C)C~    7.025
7439 NC(=O)OC1(CCCCC1)C#C~    7.804
7440 CN(C)CCC(=O)C1=CC=CO1~    8.191
7441 CC(C)CNC(=O)C1=CC=CO1~    7.943
7443 CCCC(C)=C(C#N)C(=O)OC~    6.050
7445 CN(C)S(=O)(=O)C1=CC=C(C)C=C1~    5.648
7446 CC(C)NS(=O)(=O)C1=CC=CC=C1~    5.788
7447 CC(C)C1=CC=C(C=C1)S(N)(=O)=O~    6.086
7449 CNS(=O)(=O)C1=C(C)C=C(C)C=C1~    5.947
7452 CCOC(C)=C(C#N)C(=O)OCC~    7.277
7454 CC1(C)CC(=O)C(C(N)=O)C(=O)C1~   14.282
7456 CCNC1=C(C)C=CC(=C1)S(O)(=O)=O~   11.544
7457 C[CH](NCC1=CC=CC=C1)S(O)(=O)=O~    9.845
7458 CCOC(=O)[CH]1CN(CC)C(=O)C1=O~   12.401
7459 OC(=O)CC[CH](NC(=O)OCC=C)C(O)=O~   15.654
7461 OC(=O)CC[CH](N(CC(O)=O)CC(O)=O)C(O)=O~   20.807
7464 NCCSCC1=CC=CC=C1~    8.062
7465 CCCCSC1=CC=CC=N1~    4.728
7466 C1CN(CCN1)C2=NC=CC=C2~   10.830
7467 CN(C)N=CC1=C(C)C=CN=C1~    8.285
7468 CN(C)N=NC1=CC=C(C)C=C1~    6.228
7469 CN(C)NC(=O)NC1=CC=CC=C1~   11.393
7470 C[CH](N(CCC#N)CCC#N)C(O)=O~   14.662
7473 CC1(C)NC(=O)N(C1=O)C(C)(C)C#N~   11.353
7474 COC1=C(NCC(=O)NN)C=CC=C1~   14.504
7475 CCOC(=O)C1=CNC(=S)N(CC)C1=N~    9.917
7476 CC(C)=NNS(=O)(=O)C1=CC=C(N)C=C1~    9.153
7477 CCC(=N)NS(=O)(=O)C1=CC=C(N)C=C1~   10.762
7478 CCCCNC(=O)NC=C(C#N)C(O)=O~   16.124
7481 CCCCNC(=O)C1=C(O)N=C(O)N=C1~   16.076
7482 CN1C=C(C(=O)NCCO)C(=O)N(C)C1=O~   20.371
7483 OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=N)NC2=O~   18.804
7484 OCCN(CCO)C(=O)C1=CC(=NC(=N1)O)O~   24.830
7485 CC[CH](COC(=O)C=CC(=O)NC(N)=O)[N+]([O-])=O~   15.943
7486 O[CH](C=NNC(=O)CC#N)[CH](O)[CH](O)[CH](O)C(O)=O~   20.660
7488 CC1=C(NC(=N)NC(N)=N)C=CC=C1~   16.015
7492 CC(C)NC1=C2C=NN(C)C2=NC=N1~   11.244
7496 CCN1C=NC2=C(N=CN=C12)N(C)C~   10.049
7497 CCCCNC1=C2N=CNC2=NC=N1~   12.442
7498 CCNC1=C2C=NN(C)C2=NC(=N1)C~   11.325
7499 CCCCN1C=NC2=C1N=CN=C2N~   11.456
7500 NC(=N)NC(=N)NCC1=CC=CC=C1~   16.551
7501 CC(C)CNC1=C2C=NNC2=NC=N1~   12.451
7503 CC(C)N(C)C1=C2C=NNC2=NC=N1~   11.262
7504 CCCNC1=C2C=NN(C)C2=NC=N1~   11.244
7506 CC(C)CN1C=NC2=C1N=C(N)N=C2O~   11.889
7507 NC(=O)[CH]1CCC2=C(C1)C(=NC(=N2)N)N~   15.730
7508 CN1N=CC2=C(NCCCO)N=CN=C12~   15.682
7511 CN(CCO)C1=C2C=NN(C)C2=NC=N1~   14.493
7514 CN(CCO)C1=C2N=CN(C)C2=NC=N1~   14.485
7515 C[CH](O)CNC1=C2C=NN(C)C2=NC=N1~   15.682
7517 CCNC1=NC2=C(N1)N(C)C(=O)N(C)C2=O~   14.762
7518 CN(C)C1=NC2=C(N1)N(C)C(=O)N(C)C2=O~   13.573
7519 CCN1C(=N)NC2=C1C(=O)N(C)C(=O)N2C~   13.767
7520 NNC(=O)[CH]1CCC2=C(C1)C(=NC(=N2)N)O~   18.640
7522 OCCN(CCO)C1=C2N=CNC2=NC=N1~   17.128
7523 CC1=CC=C(C=C1)S(=O)(=O)NC(=N)NC(N)=N~   16.670
7524 COC1=CC=C(C=C1)C=NNC(=N)NN(O)O~   20.300
7525 COC1=C(C=CC=C1)C=NNC(=N)NN(O)O~   20.300
7526 ON(O)NC(=N)N(CCC1=CC=CC=C1)N=O~   19.943
7528 CSC1=NC(=C2N=C(C)NC2=N1)N(C)C~   11.403
7531 CCCCSC1=NC2=C(N)N=CN=C2N1~   14.320
7532 CC(C)CSC1=NC(=NC2=C1N=CN2)N~    9.180
7533 CC[CH](C)SC1=C2N=CNC2=NC(=N1)N~    9.180
7535 CC(C)CN1C=NC2=C1N=C(N)N=C2S~    7.329
7536 CC(=C)CN(CC(C)=C)C#N~    3.169
7539 NCCNCC1=CC=CC=C1~    9.738
7540 N#CCCCCCCCC#N~    7.159
7541 CCN(CC)C1=CC=CC=N1~    6.703
7542 CCNCCC1=CC=CC=N1~    8.509
7545 CN(N)C1=C(C)C=CC=C1C~    6.703
7546 CNN(C)C1=C(C)C=CC=C1~    6.403
7549 CCC[N+]1=CC(=CC=C1)C(N)=O~   15.963
7550 CCCCC(C)=C1NC(=S)NC1=O~    7.326
7553 CC1CCC2(CC1)NC(=O)NC2=O~    8.421
7555 O=C1NC(=O)C2(CCCCCC2)N1~    8.421
7556 NC(=O)NC(=O)C(CC=C)CC=C~    9.484
7557 CC[CH]1CCC[C]12NC(=O)NC2=O~    8.421
7560 O=C(CCCC(=O)N1CC1)N2CC2~   10.670
7561 CC(C)CN1C=C(C)C(=O)NC1=O~    9.156
7562 NC(=O)[CH]1[CH]2CC[CH](C2)[CH]1C(N)=O~   11.544
7563 NC(=O)C1CC2(C1)CC(C2)C(N)=O~   11.544
7564 NC1=C(C2CCCCC2)C(=O)NO1~    9.914
7565 CCN(CC)S(=O)(=O)C1=CC=CN=C1~    8.329
7566 CN(C)S(=O)(=O)C1=CC(=C(C)C=C1)N~    9.100
7567 CN(C)S(=O)(=O)C1=C(C)C=CC(=C1)N~    9.100
7568 CCC[C]1(CC)C(=O)NC(=O)NC1=S~    9.559
7571 CCCC[C]1(NC(=O)N(C)C1=O)C=O~   11.006
7572 CCC1(CC)C(=O)NC(=O)N(C)C1=O~   12.101
7573 CC(C)[C]1(C)C(=O)NC(=O)N(C)C1=O~   12.101
7574 CCCC1(CCS)C(=O)NC(=O)NC1=O~   13.770
7575 COC1=C(N)C=C(C=C1)S(=O)(=O)N(C)C~   10.371
7576 CCCCOC(=O)C=CC(=O)NC(N)=O~   12.701
7577 CC[CH](C)OC(=O)C=CC(=O)NC(N)=O~   12.701
7579 CCOC(=O)[CH]1NC(=O)N[CH]1C(=O)OCC~   11.511
7580 CCOCCOC(=O)C=CC(=O)NC(N)=O~   14.754
7583 COC(=O)CCC(CCC(=O)OC)([N+]([O-])=O)[N+]([O-])=O~   12.373
7584 NC1=NC(=C2C[CH](CO)CCC2=N1)N~   13.226
7585 CC=CC=NNC(=O)NN=CC=CC~    7.955
7586 CCCCNC(=O)NC=C(C#N)C(N)=O~   17.812
7588 CCC1(CCSC(N)=N)C(=O)NC(=O)NC1=O~   19.924
7590 CCOC(=O)NC1=C(N)N(C)C(=O)N(C)C1=O~   14.730
7591 NC1=NC(=NC(=N1)N(CC=C)CC=C)N~   10.833
7592 CN(C)C1=NC(=C2C=NNC2=N1)N(C)C~    9.757
7593 CCNC1=NC(=C2C=NNC2=N1)NCC~   12.134
7594 CCCCNC1=NC(=C2N=CNC2=N1)N~   12.345
7595 CCCCNC1=C2N=CNC2=NC(=N1)N~   12.345
7596 CC(C)CNC1=NC2=C(N)N=CN=C2N1~   15.896
7597 CN(C)C1=NC2=C(N=CN=C2N1)N(C)C~   13.299
7599 CCN(CC)C1=C2N=NN(C)C2=NC=N1~   10.323
7600 CNC1=C2C=NN(C)C2=NC(=N1)NCCO~   15.365
7601 OCCNC1=NC(=C2C=NNC2=N1)NCCO~   18.007
7602 CSC1=NC(=C2N=C(C)NC2=N1)NN(C)C~   14.752
7603 CC1=CC(=O)CC(C)(C)C1~    4.179
7604 C[CH]1CC=C[CH](C)[CH]1C=O~    3.719
7606 O=C1CC[CH]2CCC[CH]2C1~    4.278
7607 CC(C)[CH]1CCC(=O)C=C1~    4.251
7608 CC(=O)CC1=CCCCC1~    3.907
7609 CC(=O)[CH]1C[CH]2CC[CH]1C2~    4.278
7613 C[CH]1CCC[C](O)(C1)C#C~    5.848
7615 CC(C)=CC(=O)C=C(C)C~    4.080
7616 CC(C)C1=CC(=O)CCC1~    4.179
7617 CCCC1=CC(=O)CCC1~    4.179
7618 C[CH]1C[CH](CC(=C1)C)C=O~    3.646
7622 CCC[C](C)(OC(C)=O)C#C~    3.924
7623 OC1CC2CC1C3COCC23~    8.607
7624 OC[CH]1[CH]2C[CH](C=C2)[CH]1CO~    6.790
7625 CCCOC(=O)C=CC=CC~    3.492
7626 C1COC(O1)[CH]2CCC=CC2~    4.325
7627 CC(C)OC(=S)SC(=S)SC(=S)OC(C)C~    9.028
7629 CCOC(=O)[CH](CC=C)C(C)=O~    6.564
7630 CCOC(=O)[CH]1CCCCC1=O~    6.790
7631 CCOC(=O)[C]1(C)CCCC1=O~    6.790
7633 CCOC(=O)C1=C(C)OCCC1~    4.785
7634 CC(=C)C(=O)OC[CH]1CCCO1~    6.658
7635 CCC1(CC)OC(=O)C=C1OC~    4.857
7637 CCC[CH]1C[CH](C(C)=O)C(=O)O1~    6.790
7638 CCOC(=O)C(=CC)C(=O)OCC~    6.417
7640 CC1(C)[CH](C[CH]1C(O)=O)CC(O)=O~   11.007
7642 CCOC(=O)C1(CC1)C(=O)OCC~    6.243
7643 CCOC(=O)C(C)=C(C)OC(C)=O~    5.245
7646 CCOC=C(C(C)=O)C(=O)OCC~    8.193
7647 OC(=O)CC1(CCCC1)CC(O)=O~   11.007
7648 CCOC(=O)[C]1(O)CCCCC1=O~    7.599
7649 COC(=O)[CH]1CCC2(C1)OCCO2~    7.138
7653 CC1(C)O[CH]2[CH](O)[CH]3OC[CH](O3)[CH]2O1~   14.071
7654 CC(=O)OC(OC(C)=O)[CH]1CCCO1~    9.197
7655 CCOC(=O)C(C(C)=O)C(=O)OCC~    9.305
7657 CCOC(=O)CC(=O)CC(=O)OCC~    9.305
7658 CC(=O)OCC(COC(C)=O)C(C)=O~    9.305
7659 CCC(=O)OCC(=O)COC(=O)CC~    7.606
7660 CCOC(=O)C[CH](C=O)C(=O)OCC~    9.046
7662 CCOC(=O)[CH](C)C(=O)C(=O)OCC~    8.410
7663 CC1(C)O[CH]2O[CH]([CH](O)[CH]2O1)[CH]3CO3~   14.570
7664 CC(=O)OCC(COC(C)=O)OC(C)=O~    8.757
7665 C1OC[CH]2OCO[CH]3COCO[CH]3[CH]2O1~   12.845
7666 CC(CCC(O)=O)(CCC(O)=O)C(O)=O~   15.903
7667 COC(=O)CC1(CC(=O)OC)OCCO1~    9.652
7668 CCOC(=O)C(OC(C)=O)C(=O)OCC~    7.907
7669 C1C[CH](OO1)[CH]2OCO[CH]3COCO[CH]23~   10.385
7670 CC(=O)OCCC(OC(C)=O)OC(C)=O~    8.757
7672 CCC[N+]1=C(C)C=CC=C1~    9.533
7673 N#CCC1CCCCCC1~    4.009
7676 CC[N+]1=CC(=C(C)C=C1)C~    9.614
7678 CC1=CC(CC(C)(C)C1)=NO~    4.710
7679 NC(=O)C=C1CCCCCC1~    7.703
7680 CN=C1CC(=O)CC(C)(C)C1~    5.227
7682 CCCCCN1C(=O)CCC1=O~    6.762
7683 C[CH](O)C(=O)N(CC=C)CC=C~    7.714
7684 CNC(=O)OC[CH]1CCC=CC1~    6.735
7685 CCOC(=O)N(CC=C)CC=C~    6.360
7687 CCCCCOC(=O)[CH](C)SC#N~    6.367
7688 CN1[CH]2CC[CH]1[CH]([CH](O)C2)C(O)=O~   14.099
7689 CCCCCC[CH]1NC(=O)OC1=O~    6.193
7690 OC(=O)CCCCC[CH]1NC(=O)CS1~   11.903
7691 CC1(C)OC(=O)[CH](NC=O)C(C)(C)S1~   10.633
7692 CC1(COC2(CCCC2)OC1)[N+]([O-])=O~    7.511
7693 CCC1(COC(OC1)C=CC)[N+]([O-])=O~    7.212
7694 C[CH](C[CH](NC(C)=O)C(O)=O)C(C)=O~   14.241
7695 COC(=O)C[CH](CN1CC1)C(=O)OC~    9.793
7696 CC(C)[CH](NC(=O)OCC=C)C(O)=O~   10.402
7697 CCOC(=O)C(=NO)C(=O)CC(C)C~    9.358
7698 C[C]1(OC[CH](COC(N)=O)O1)C2CC2~   10.662
7699 C[CH](O)C[CH]1CC(=O)N[CH](CS1)C(O)=O~   17.710
7700 C[CH](OC(C)=O)C(=O)NCCOC(C)=O~   11.759
7701 CCOC(=O)C(NC(C)=O)C(=O)OCC~   11.311
7702 CC(=C)CN(CC(C)=C)C(S)=S~    2.785
7704 COCC1=C(CN)C=NC(=C1N)C~   14.395
7705 CCN(CC)CC(=O)NC1=NC=CS1~   13.116
7708 CCC[C]1(CC)C(=N)NC(=O)NC1=O~   10.889
7710 CN1C(=O)NC=C(N(CCO)CCO)C1=O~   17.032
7711 OCCN(CCO)CC1=C(O)N=C(O)N=C1~   22.390
7712 COC(=O)CCC(CC(=O)OC)=NNC(N)=O~   13.889
7713 O=C1N[CH](CCS(=O)(=O)N2CCOCC2)C(=O)N1~   14.582
7714 OCCN1C(=O)N(CCO)C(=O)N(CCO)C1=O~   19.975
7715 CCCCSC1=CC(=NC(=N1)N)C~    4.971
7716 CC(C[N+]1=CC=CC=C1)=NNC(N)=N~   18.648
7717 CC(C)CNC1=C(NC=O)C(=NC(=N1)N)O~   17.967
7719 CCNC(=S)NC1=C(N)N(C)C(=O)N(C)C1=O~   13.788
7720 CCCC[C]1(NC(=O)NC1=O)C=NNC(N)=O~   19.267
7721 NNC(=O)C1=C(N)N(C=N1)[CH]2O[CH](CO)[CH](O)[CH]2O~   26.442
7722 CN1C=NC(=C1S(=O)(=O)NCN2CCOCC2)[N+]([O-])=O~   13.234
7723 N#CCCNC1CCCCC1~    7.777
7724 C[CH](CN(C)C)N1C=CC=C1~    6.772
7725 CC(=C)CN(CC(C)=C)C(N)=O~    8.128
7726 NC(=O)[CH]1CN1C2CCCCC2~   10.052
7727 CC(=O)NCN(CC=C)CC=C~    8.178
7729 CC(C)CN1C[CH](C)C(=O)NC1=S~    8.471
7730 CC1=CC(C)(C)NC(=S)N1CCO~    9.690
7731 CC(C)(C)C[C]1(C)NC(=O)NC1=O~    8.066
7732 CC1(C)CC(=O)CC(C)(C)N1N=O~    8.599
7733 CC=C[CH](C(C)C)C(=O)NC(N)=O~    9.285
7736 CCC[CH](CC=C)C(=O)NC(N)=O~    9.357
7738 CCCC1(CCC)NC(=O)NC1=O~    8.066
7739 CCCC[C]1(CC)NC(=O)NC1=O~    8.066
7741 CC(C)C1(NC(=O)NC1=O)C(C)C~    8.066
7742 CC(=O)NNC(=S)OC1CCCCC1~   10.554
7745 NC(=O)OC[CH]1CCCC[CH]1OC(N)=O~   10.089
7746 CCC[C]1(NC(=O)NC1=O)C(OC)OC~   11.475
7747 CC[C]1(NC(=O)N(C)C1=O)C(OC)OC~   11.256
7748 CCOC(=O)N(C1CCCCC1)[N+]([O-])=O~    7.395
7749 CC(C)(CCN(CC(O)=O)CC(O)=O)[N+]([O-])=O~   14.845
7750 NCCNCCCC1=CC=CS1~    9.754
7751 CN(C)C1=CC(=NC(=N1)N(C)C)C~    5.539
7753 COC(=O)NCCC(CCNC(=O)OC)([N+]([O-])=O)[N+]([O-])=O~   15.783
7754 C(CSC1=NCCN1)CSC2=NCCN2~   15.197
7755 CC(C)C(O)(C#C)C(C)C~    5.492
7756 CCCC[C](O)(CC)C#C~    5.492
7757 CC(=O)CC1CCCCC1~    3.921
7758 CC(C)CC[C](C)(O)C#C~    5.492
7759 CC[CH]1CCCCCC1=O~    3.921
7760 CC[CH]1CC[CH](CC)C1=O~    3.921
7761 OCC=C1CCCCCC1~    4.924
7762 CCC(=O)C(C)(C)C(C)=C~    3.622
7763 CCCCCCC=CC=O~    3.636
7764 C[CH](C=O)C1CCCCC1~    3.664
7765 O=CCCC1CCCCC1~    3.664
7767 O[CH]1CC[CH]2CCC[CH]2C1~    5.297
7768 CC(C)[CH]1CCCCC1=O~    3.921
7769 CC(C)C1CCC(=O)CC1~    3.921
7770 CC(C)O[CH]1CCCC=C1~    2.614
7771 CCC(O)(CC=C)CC=C~    4.640
7772 OC(C1CCC1)C2CCC2~    5.297
7773 C[CH]1CC[CH]([CH]1C)C(C)=O~    3.921
7775 CCC(=O)C1CCCCC1~    3.921
7777 CCCCC(C(C)=O)C(C)=O~    6.983
7779 CCOC(=O)C1CCCCC1~    3.374
7780 O=COCCC1CCCCC1~    3.114
7781 CCC(CC)COC(=O)C=C~    3.419
7782 CCCC(=O)OC1CCCC1~    3.374
7783 CC(C)C(=O)OC1CCCC1~    3.374
7784 C[CH]1CCOC2(CCCC2)O1~    4.269
7785 C[CH]1OC2(CCCC2)O[CH]1C~    4.269
7786 CC=CC1OCC(C)(C)CO1~    3.971
7787 CC[CH](C)C1OCC=CCO1~    3.971
7788 C[CH]1COC2(CCCCC2)O1~    4.269
7789 CCC(=O)OC1CCCCC1~    3.374
7790 CCCCCCOC(=O)C=C~    3.419
7791 CC1(C)C[CH]2CCCO[CH]2O1~    5.169
7793 CCCCCC(=O)CC(C)=O~    6.983
7796 C[CH]1O[C](C)(O[CH]1C)C2CC2~    4.269
7798 CCCO[CH]1CCC[CH]2O[CH]12~    5.469
7799 CCCCCC(C)=CC(O)=O~    5.658
7800 CCCCCCC=CC(O)=O~    5.728
7803 CCCC(=O)C(C)(C)C(C)=O~    6.983
7804 CCCC(=O)[CH](C)C(=O)CC~    6.983
7805 CCCCC[CH]1CCC(=O)O1~    3.374
7806 CC(C)CO[CH]1CCC=CO1~    3.141
7807 CCCCOCCOC(=O)C=C~    5.474
7808 COC(=O)C1(O)CCC(C)CC1~    4.180
7810 CCOC(=O)C1(O)CCCCC1~    4.180
7811 CCOC(=O)[CH](C)C(=O)C(C)C~    6.437
7813 CCOC(=O)[C]1(CC)OC1(C)C~    5.078
7814 CO[CH](C)CCOC(=O)C(C)=C~    5.401
7815 CCOC(=O)[CH](C(C)C)C(C)=O~    6.437
7816 COC(=O)CC1(O)CCCCC1~    7.810
7817 CC(C)COC(=O)CCC(C)=O~    6.437
7818 CCCOC(=O)[CH](C)C(=O)CC~    6.437
7820 CCCCCOC(=S)SC(=O)OCC~    5.166
7823 CC[C](C)(CC(O)=O)CC(=O)OC~    8.269
7824 CCOC(=O)C[C]1(C)OC[CH](C)O1~    6.783
7825 CCOC(=O)C(CC)C(=O)OCC~    5.886
7827 CCOC(=O)[CH](C)OCOCC=C~    5.706
7828 CCCCOC(=O)[CH](C)OC(C)=O~    5.037
7829 OC(=O)CCCCCCCC(O)=O~   10.652
7831 CC[C]1(C)OC[CH](COC(C)=O)O1~    6.783
7832 CCOC(=O)C(C)(C)C(=O)OCC~    5.886
7833 CC(=O)OC[CH]1COCOC1(C)C~    6.783
7834 CCOC(=O)CCC1(C)OCCO1~    6.783
7835 CC[CH](C)C(CC)(C(O)=O)C(O)=O~   10.652
7836 CCOC(=O)CSC[CH](C)C(=O)OC~    7.983
7838 CCCCCS[CH](CC(O)=O)C(O)=O~   12.747
7839 CO[CH]1[CH](C)OCO[CH]2COCO[CH]12~   10.433
7844 C[CH](O)[CH]1O[CH]2OC(C)(C)O[CH]2[CH]1O~   13.097
7845 CCOC(=O)CO[CH](C)C(=O)OCC~    6.242
7846 CC1(C)O[CH]2O[CH](CCO)[CH](O)[CH]2O1~   13.097
7847 CCCOC(=O)CC(=O)C(OC)OC~    8.996
7848 CC1(C)O[CH]2O[CH]([CH](O)CO)[CH](O)[CH]2O1~   14.535
7849 CC(=O)OCC(CO)(CO)COC(C)=O~   11.762
7850 O[CH]1COCO[CH]1[CH](O)[CH]2OCOC[CH]2O~   15.688
7851 C1CC[CH]2NCCC[CH]2C1~    4.629
7855 CN[CH]1[CH]2CC[CH](C2)[CH]1C~    4.629
7856 CC(C)N(CC#C)C(C)C~    4.606
7857 CCCN(CCC)CC#C~    4.606
7858 NC[CH]1CC2CCC1CC2~    4.848
7859 C1CC[CH]2CNCC[CH]2C1~    4.629
7860 CCCCCCOCCC#N~    5.708
7861 CC(C)(C)CC(C)(C)N=C=O~    2.172
7862 CC(C)(C)CC(=O)NCC=C~    7.000
7863 CCN(CC)C(=O)C=C(C)C~    6.910
7864 CN(C)C[CH]1CCCCC1=O~    7.472
7865 OC[CH](C=C)N1CCCCC1~    8.620
7866 CC1(C)CC(=O)CC(C)(C)N1~    7.693
7867 NC(=O)CC1CCCCCC1~    7.446
7868 C[CH]1C[CH]2CCCCN2CO1~    5.165
7870 CCC(=O)NC1CCCCC1~    7.227
7871 CCCCCCC=CC(N)=O~    7.419
7872 OC[CH]1CN1C2CCCCC2~    8.848
7874 CCC(CC)(SCC=C)C(N)=O~    9.312
7875 CNC(=O)C(C)(C)SCC=CC~    9.022
7876 CN(C)CCC(=O)[CH]1CCCS1~    9.569
7878 CCN(CC)CCOC(=O)C=C~    6.971
7881 CN[CH](C1CCCCC1)C(O)=O~    8.225
7882 N[CH](CC1CCCCC1)C(O)=O~    8.444
7883 CN(C)C(=O)OC1CCCCC1~    6.460
7884 CN1CC[C]2(O)OCCC[CH]2C1~   11.801
7885 CC[CH]1CNCC[CH]1CC(O)=O~    9.524
7886 OC(=O)CCCN1CCCCC1~    9.306
7887 C[CH]1CC[C]2(C)O[CH]1O[CH]2CN~    9.157
7888 CCNC1(CCCCC1)C(O)=O~    8.225
7889 CCOC(=O)NC1CCCCC1~    6.678
7890 NC1(CCCCCCC1)C(O)=O~    8.444
7891 CCOC(=O)C1CCC(N)CC1~    7.362
7892 CCCOC(=O)C1(N)CCCC1~    6.061
7896 CCCCOC(=O)N1CCCC1~    6.460
7897 CCOC(=O)N1CCCCCC1~    6.460
7898 C[C](N)(C1CCCCC1)C(O)=O~    8.444
7899 CCC[CH]1CCC[C]1(N)C(O)=O~    8.444
7901 C[CH]1CN(C[CH](C)O1)C[CH]2CO2~    9.020
7903 CCOC(=N)C1(O)CCCCC1~    8.519
7904 CCOC(=O)CCN1CCCC1~    6.924
7905 NC[CH]1CCCC2(C1)OCCO2~    8.256
7906 CC(C)OC(=O)N1CCCCC1~    6.460
7907 C[CH]1CCC[CH](C)N1CC(O)=O~    8.007
7909 O=S1(=O)CC[CH](C1)N2CCCCC2~    8.606
7911 COC(CCCCC#N)(OC)OC~    9.117
7913 CCCCC[CH](NC(C)=O)C(O)=O~   10.824
7914 CCCCNC(=O)[CH](C)OC(C)=O~    8.889
7915 COC(=O)CCCN1CCOCC1~    8.979
7916 OCCOC(=O)NC1CCCCC1~   11.115
7917 CCOC(=O)CCN1CCOCC1~    8.979
7918 CCC(C)(C)N(CC(O)=O)CC(O)=O~   11.602
7919 CCOC(=O)CN(C)CC(=O)OCC~    6.839
7921 CCCCOC(=O)CC[CH](N)C(O)=O~   10.959
7923 CC[CH]([CH](OC(C)=O)C(C)C)[N+]([O-])=O~    6.260
7924 CCOC(=O)[CH](C)[CH](N)C(=O)OCC~    8.575
7926 CCOC(=O)CC[CH](N(C)C)C(O)=O~   10.520
7928 CCC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O~   18.928
7929 CCCCN(CC(C)(C)[N+]([O-])=O)C#N~    6.300
7932 O=CNCCCN(CCCNC=O)C=O~   16.121
7933 CCN(CC)S(=O)(=O)CC[CH]1NC(=O)NC1=O~   12.171
7934 CC(=O)NC(C(=O)NCCO)C(=O)NCCO~   21.693
7936 CC(C)N1CSC(=S)NCCNC(=S)SC1~    5.489
7937 C[CH]1CC[CH](C)[CH](C)C1~    0.224
7938 CCCC[CH](C)C1CC1~    0.224
7940 CCCCN(CCCC)C#N~    3.057
7941 CC(C)(C)CC(C)(C)NC#N~    3.276
7944 CN1CCN[CH]2CCCC[CH]12~    8.180
7945 CCCCN=C=NCCCC~    2.757
7946 C[CH]1CC[CH]2NCCN[CH]2C1~    8.398
7947 CO[CH]1CC[CH]2NCCN[CH]2C1~   10.452
7948 C[CH](CC(C)(C)C)C(=O)NC(N)=O~    9.228
7949 CCCC[CH](CC)C(=O)NC(N)=O~    9.228
7951 CCCC(CCC)C(=O)NC(N)=O~    9.228
7953 CC[CH](C)[CH](CC)C(=O)NC(N)=O~    9.228
7954 C1COC[CH](C[CH]2COCCN2)N1~   12.507
7955 O[CH](CCC[CH](O)N1CC1)N2CC2~   11.235
7957 OCCN(CCCN(CCO)C(S)=S)C(S)=S~   11.070
7958 CCOC(=O)N1CCN(CCO)CC1~   14.447
7959 CCCCNC(=O)CC[CH](N)C(O)=O~   14.810
7960 CCOC(=O)NC(CC)NC(=O)OCC~    6.796
7961 CCC(CC)(COC(N)=O)COC(N)=O~    9.733
7963 CCCC(C)(COC(N)=O)COC(N)=O~    9.733
7964 OCCNC(=O)CCCC(=O)NCCO~   16.268
7965 OCCOC(=O)N1CCN(CCO)CC1~   15.886
7966 CN(CC#N)C[CH](O)[CH](O)[CH](O)[CH](O)CO~   17.389
7967 CCCCSC1=NCCCCN1~    7.672
7970 NC(=O)CCN(CCC(N)=O)CCC(N)=O~   21.324
7972 CC(C)(C)C(=O)C(C)(C)C~    3.567
7973 CCCC(=O)CC(C)(C)C~    3.567
7975 C[CH]1C[CH](O)CC(C)(C)C1~    4.939
7976 CCCCCCCCC=O~    3.307
7978 CCCCCCOC1CC1~    2.559
7979 CCCCCCCC(C)=O~    3.567
7981 CC(C)CC(=O)CC(C)C~    3.567
7982 CC[CH]1CC[CH](CC)[CH]1O~    4.939
7983 CCCCC1(O)CCCC1~    4.939
7985 C[CH](CO)C1CCCCC1~    4.939
7986 OCCCC1CCCCC1~    4.939
7989 CCCCCC(=O)C(C)C~    3.567
7992 CC(C)CC(=O)C(C)(C)C~    3.567
7994 C[CH](CO)CCC=C(C)C~    4.369
7995 C[CH](O)COC1CCCCC1~    6.996
7996 CCCCCCCC(=O)OC~    3.018
7999 CCCCOC(=O)CC(C)C~    3.018
8000 CCCC(=O)OCCC(C)C~    3.018
8001 CCC1(C)OCC(C)(C)CO1~    3.914
8002 CCC[CH]1O[CH](C)C[CH](C)O1~    3.914
8003 CC(C)COC(=O)CC(C)C~    3.018
8005 CCCCCOC(=O)CCC~    3.018
8006 CCCCCCC(=O)OCC~    3.018
8007 CC(C)[CH]1OCCC[CH]1CO~    7.896
8009 CCCOC(=O)[CH](C)CCC~    3.018
8011 CCCOC(=O)C(CC)CC~    3.018
8012 CCC(CC)C(=O)OC(C)C~    3.018
8013 CCCC[CH](CC)COC=O~    2.759
8015 CCCC1OCC(C)(C)CO1~    3.914
8017 CCCCCC[CH](C)C(O)=O~    5.400
8019 CC(C)C[C]1(C)OC[CH](C)O1~    3.914
8020 CCC[CH]1OCOC[CH]1CC~    3.914
8022 CCCCCCSCCC(O)=O~    7.495
8024 CC(C)COC(=O)OCC(C)C~    2.469
8026 CCCCCC(=O)OCCOC~    5.073
8027 CCCCOC(=O)OCCCC~    2.469
8029 CCCC(=O)OCC[CH](C)OC~    5.073
8030 CO[CH](C)CCOC(=O)C(C)C~    5.073
8031 C[CH](O)C[CH](O)C[CH]1CCCO1~    9.333
8035 CCC(CC)C(=O)OCCOC~    5.073
8037 CCCC[CH](CC)[CH](O)C(O)=O~    6.207
8038 OC[CH](O)COC1CCCCC1~    8.433
8039 CC(C)OC[CH]1COC(C)(C)O1~    5.967
8040 CCC1OC(CC)OC(CC)O1~    5.967
8041 CC[C](C)(O)[C]1(C)OC[CH](C)O1~    8.351
8042 COC[CH](C)O[CH]1CCCCO1~    6.866
8043 CC1(C)OC[CH](CCCCO)O1~    8.351
8044 CCOC=CC(OCC)OCC~    4.842
8045 CCCCCC(=O)C(OC)OC~    6.126
8048 CCCCOCCOCCOC=O~    6.866
8049 CCOC(=O)C(C)(OCC)OCC~    5.577
8051 CCOCCOC(=O)OCCOCC~    6.578
8052 CO[CH]1O[CH]([CH](O)[CH](O)CO)[CH](O)[CH](O)[CH]1O~   16.435
8054 C[CH]1C[CH](C)NC(C)(C)C1~    4.273
8055 CN[CH](C)CCC=C(C)C~    3.900
8056 CNCCC1CCCCC1~    4.273
8057 NCCC1CCCCCC1~    4.492
8059 C[CH](N)CC1CCCCC1~    4.492
8060 C[CH](O)CNC1CCCCC1~    8.710
8062 CCCCCCCCNC=O~    6.613
8063 CCN(CC)CCCC(C)=O~    7.117
8065 CC(C)(C)C(C)(C)CC(N)=O~    7.090
8068 CC1(C)CC(O)CC(C)(C)N1~    8.710
8070 CCC[CH](C)[CH](CC)C(N)=O~    7.090
8071 CCCCC[CH](CC)C(N)=O~    7.090
8072 CCCCC[CH](C)NC(C)=O~    6.873
8073 CCN(CC)C(=O)CC(C)C~    6.654
8074 CC(C)CNC(=O)CC(C)C~    6.873
8076 CC[CH](C)NC(=O)CC(C)C~    6.873
8077 CCCC[CH](CC)C(=O)NC~    6.873
8078 CN(C)C[CH]1CCCC[CH]1O~    8.492
8079 C[CH]1CCCCCN1CCO~    8.492
8080 NC1(CCCO)CCCCC1~    8.928
8081 C[CH]1CCCN(CCO)CC1~    8.492
8082 OCCCNC1CCCCC1~    8.710
8083 CC(C)NC[CH]1CCCCO1~    7.228
8084 CCN(CC)CC(C)(C)C=O~    6.857
8085 OCCN1CCCCCCC1~    8.492
8087 CCC(=O)NCCCOC(C)C~    8.924
8088 CCN(CC)C(=O)CC(C)(C)O~   11.090
8089 CCCCCCNC(=O)[CH](C)O~    7.678
8091 CCCCCCC[CH](N)C(O)=O~    8.088
8093 CCCCCCNC(=O)OCC~    6.322
8095 CC(C)(CO)CN1CCOCC1~   10.547
8096 CCCCCC[CH](C)OC(N)=O~    6.541
8097 CCCCCC[C](C)(N)C(O)=O~    8.088
8098 CN(C)CCOC(=O)C(C)(C)C~    6.569
8099 CCCN(CCC)C(=O)OCC~    6.104
8100 CC(=O)O[CH](C[N+](C)(C)C)C=C~   14.963
8101 CCCC[C](N)(CCC)C(O)=O~    8.088
8102 NCCCCCCCCC(O)=O~    9.388
8103 CCCCC[C](N)(CC)C(O)=O~    8.088
8104 CCCCNC[CH](C)C(=O)OC~    6.788
8105 CCOC(=O)[CH](CCSC)N(C)C~    7.364
8107 CC(C)CN(CC(C)C)C(S)=S~    2.672
8108 CCN(C)C(=O)N1CC[N+](C)([O-])CC1~   18.582
8109 CCCCCOC(=O)NCCSC(N)=N~   13.928
8110 CCCCCCCCN1N=NNC1=N~    9.190
8111 CCCC[CH](CC)CN1N=NNC1=N~    9.190
8113 CC(C)CN(CC(C)C)C1=NN=NN1~    7.274
8114 CC(C)(C)CC(C)(C)N1N=NNC1=N~    9.190
8119 CNCCCN1CCCCC1~    7.824
8122 CCN(CC)CCCC(C)=NO~    7.921
8123 C[CH]1CN(CCCCO)CCN1~   12.261
8125 CN(C)CCC(=O)CCN(C)C~   10.668
8126 CCOC(=O)NCCN(CC)CC~    9.873
8127 CCN(CC)C(=O)OCCN(C)C~    9.656
8128 C[CH](O)COC(=O)NCCCN(C)C~   14.311
8133 CCC(CC)(CNC(N)=O)CNC(N)=O~   19.521
8135 CN(C)CN1CSC(=S)N(CN(C)C)C1~    4.155
8136 NC(=N)SCCCCCCCSC(N)=N~   15.360
8137 CNC(=N)SCCCCCSC(=N)NC~   14.921
8138 CCCCC[C](C)(O)CC~    4.385
8139 CCC[C](C)(O)C(C)(C)C~    4.385
8140 CCCCC(O)CCCC~    4.385
8141 CCC[C](C)(O)[CH](C)CC~    4.385
8142 CCCCCCCCCO~    4.385
8143 CCCCCCC[CH](C)O~    4.385
8146 CCC(O)(C(C)C)C(C)C~    4.385
8147 CC(C)CCC[CH](C)CO~    4.385
8148 CS(=O)(=O)OCC(COS(C)(=O)=O)(COS(C)(=O)=O)COS(C)(=O)=O~   17.688
8149 CCCCOCOCCCC~    3.558
8150 CCCCC[CH](O)[CH](C)CO~    6.022
8151 OCCCCCCCCCO~    6.022
8152 CC(C)C[CH](CO)CCCO~    6.022
8154 CCCCCC[CH](CO)OC~    6.640
8155 CCCCCCC[CH](O)CO~    6.022
8158 CC(C)O[CH](C)COC[CH](C)O~    8.695
8159 CCOC(CC)(OCC)OCC~    5.613
8160 CCC[CH](CC(OC)OC)OC~    5.613
8161 CCCCOCCOC[CH](C)O~    8.695
8162 CC(C)OCC(O)COC(C)C~    8.695
8163 COC(CCCC(OC)OC)OC~    7.668
8164 CCOC(OCC)(OCC)OCC~    7.668
8167 CCCCC(S(=O)(=O)CC)S(=O)(=O)CC~    8.538
8168 CC(C)(C)S(=O)(=O)CS(=O)(=O)C(C)(C)C~    8.538
8170 CCOCCS(=O)(=O)CS(=O)(=O)CCOCC~   12.648
8171 CCCCCCCCCS~    1.599
8173 CN[CH](C)CCCC(C)C~    3.917
8174 CCCCCC[CH](C)NC~    3.917
8175 CCCCCCCCCN~    4.136
8176 CCN(CC)CCC[CH](C)O~    8.136
8177 C[N+](C)(C)C[CH]1CCCCO1~   15.274
8178 CC(C)CCNC(C)(C)CO~    8.355
8179 CC[N+](C)(CC)[CH](CO)C=C~   16.529
8180 CC(=O)OCC(C)(C)[N+](C)(C)C~   14.833
8181 CCCCCCCCS(=O)(=O)NC~    4.472
8182 C[CH](O)CN(C[CH](C)O)C[CH](C)O~   11.010
8183 CCN1CN(CC)CN(CC)C1~    3.656
8184 CCCCCCCCNC(N)=N~    9.428
8185 CC(C)CNN(CC(C)C)C(N)=O~   10.396
8187 CN(C)CCN(CCN(C)C)C=O~   13.495
8189 C[N+](C)(C)CCCSC1=NCCN1~   19.488
8193 CC(C)(N)COCOCC(C)(C)N~   11.533
8194 C[N+](C)(C)CCOC(=O)CCCN~   18.821
8195 CN(C)CC(=O)OCC[N+](C)(C)C~   17.084
8196 C[CH](O)CNN(C[CH](C)O)C[CH](C)O~   13.389
8197 CC(C)NS(=O)(=O)CCCS(=O)(=O)NC(C)C~    8.796
8198 OCCNCCNC(=S)NCCNCCO~   18.793
8199 CCCC[N+](C)(N)CCCC~   14.562
8200 CCCCCCC[N+](C)(C)N~   14.562
8203 C[N+](C)(C)CC(O)C[N+](C)(C)C~   22.217
8204 O=C1C(=O)C2=C(C=CC=C2)C1=O~    9.854
8205 O=C1OC(=O)C2=C(C=CC=C2)C1=O~    7.597
8206 OC(=O)C#CC1=C(C=CC=C1)[N+]([O-])=O~   10.530
8208 [O-][N+](=O)C1=CC2=C(OC(=O)C=C2)C=C1~    7.562
8210 [O-][N+](=O)C1=CC=C(C=C1)N=NC(C#N)C#N~   13.401
8212 N#CC1=CNC2=C1C=CC=C2~    8.068
8213 O=C1CSC2=NC3=C(C=CC=C3)N12~    8.796
8214 O=C1NC(=S)SC1=CC2=CN=CC=C2~   11.569
8215 [O-][N+](=O)C1=C2N=CC=CC2=CC=C1~    8.565
8216 [O-][N+](=O)C1=C2C=CN=CC2=CC=C1~    8.565
8217 OC1=C2N=CC=CC2=C(C=C1)N=O~   12.125
8218 [O-][N+](=O)C1=CC2=C(C=C1)N=CC=C2~    8.565
8219 CC1=CC=C(C=C1N=C=O)N=C=O~    4.955
8220 O=C1C=CC(=O)N1C2=CC=CC=N2~   10.370
8222 O=C1NN=C(C(=O)O1)C2=CC=CC=C2~    7.939
8225 OC1=NC=CC2=C(C=CC=C12)[N+]([O-])=O~   12.548
8226 ON=C1C(=O)ON=C1C2=CC=CC=C2~    7.910
8229 O=C1N(CC#N)S(=O)(=O)C2=C1C=CC=C2~   11.951
8230 CC(=O)OC1=C(C=CC(=C1)[N+]([O-])=O)C#N~    8.607
8231 COC(=O)C1=NOC2=C1C=CC(=C2)[N+]([O-])=O~    9.851
8232 COC1=CC(=C2NC(=O)C(=O)C2=C1)[N+]([O-])=O~   12.947
8233 N#CC(=NNC1=CC=CC=C1)C#N~    8.237
8234 O=CC#CC1=CC=CC=C1~    6.033
8235 O=CC1=CSC2=C1C=CC=C2~    6.148
8236 O=C1C=CSC2=C1C=CC=C2~    6.775
8237 O=C1SSC(=C1)C2=CC=CC=C2~    5.597
8238 O=C(C1=CC=CS1)C2=CC=CS2~    6.242
8240 O=C1OC2=C(C=CC=C2)C=C1~    5.158
8241 OC(=O)C#CC1=CC=CC=C1~    8.126
8242 O=C1CC(=O)C2=C1C=CC=C2~    8.227
8243 OC(=O)C1=CC2=CC=CC=C2S1~    8.240
8244 O=C1CC2=C(C=CC=C2)C(=O)O1~    5.587
8245 OC(=O)C1=CC2=CC=CC=C2O1~    7.975
8246 OC1=CC(=O)OC2=C1C=CC=C2~    8.695
8247 OC1=CC2=C(C=C1)C=CC(=O)O2~    9.141
8249 OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O~   16.358
8251 S=C1SSC=C1C2=CC=CC=C2~    4.294
8252 C1=CC2=C(C=C1)C=NC=C2~    6.162
8253 C1=CC2=C(C=C1)N=CC=C2~    6.162
8254 C=CC1=CC(=CC=C1)C#N~    4.573
8256 N#CC=CC1=CC=CC=C1~    5.210
8257 OC1=NC2=C(C=CC=C2)C=C1~   10.145
8260 O=C(CC#N)C1=CC=CC=C1~    8.390
8261 O=CC1=CNC2=C1C=CC=C2~    8.656
8262 OC=C(C#N)C1=CC=CC=C1~    8.747
8263 [O-][N+]1=C2C=CC=CC2=CC=C1~   11.162
8265 OC1=C2C=CC=CC2=CC=N1~   10.145
8266 OC1=C2N=CC=CC2=CC=C1~   10.145
8267 O=C(CSC#N)C1=CC=CC=C1~    8.234
8269 NC(=O)C1=CC2=CC=CC=C2S1~    9.932
8270 O=C1CSC(=S)N1C2=CC=CC=C2~    6.873
8271 CN1C(=S)SC(=CC2=CC=CS2)C1=O~    8.609
8272 CC1=CC=CC2=C1NC(=O)C2=O~   10.613
8273 CC1=CC2=C(NC(=O)C2=O)C=C1~   10.613
8276 OC1=CC(=C2C=CC=CC2=N1)O~   14.128
8279 ON=C1CC2=C(C=CC=C2)C1=O~    8.243
8282 O=C1CC(=NO1)C2=CC=CC=C2~    4.987
8283 CN1C(=O)C(=O)C2=C1C=CC=C2~    9.345
8284 CN1C(=O)C2=C(C=CC=C2)C1=O~    7.650
8285 O=C1CSC(=O)N1C2=CC=CC=C2~    5.167
8288 [O-][N+](=O)C1=CC=C(C=CC=O)C=C1~    8.199
8292 [O-][N+](=O)C1=C(C=CC=O)C=CC=C1~    8.199
8293 O=C1CN(C(=O)O1)C2=CC=CC=C2~    6.220
8294 OCN1C(=O)C2=C(C=CC=C2)C1=O~   10.785
8296 OS(=O)(=O)C1=C2C=CC=NC2=CC=C1~   12.492
8297 OC(=O)C1=CC(=CC=C1O)CSC#N~   11.030
8298 OS(=O)(=O)C1=C2N=CC=CC2=CC=C1~   12.492
8300 OC(=O)C=CC1=CC=C(C=C1)[N+]([O-])=O~   10.292
8302 [O-][N+](=O)C=CC1=CC2=C(OCO2)C=C1~    8.394
8305 OC(=O)C(=O)CC1=C(C=CC=C1)[N+]([O-])=O~   12.158
8307 CC(=O)C1=C(C=CC=C1[N+]([O-])=O)C(O)=O~   12.108
8308 NS(=O)(=O)C1=C(O)C2=C(OC1=O)C=CC=C2~   12.712
8309 CC(=O)OC1=CC2=C(OCO2)C=C1[N+]([O-])=O~    9.527
8310 SC1=NC2=C(C=CC=C2)C=C1~    5.585
8312 S=C1NC(=CS1)C2=CC=CC=C2~    5.333
8315 CC1=N[CH]1C2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O~    8.447
8316 CCOC(=O)C1=CN=C2SC(=CN2C1=O)[N+]([O-])=O~   16.170
8318 NC1=NC2=C(N=N1)C3=CC=CC=C3N2~    9.996
8319 [N-]=[N+]=NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2~   11.863
8321 C1C=CC2=C1C=CC=C2~    2.799
8322 NC1=C2N=CC=CC2=CC=C1~    9.614
8323 NC1=CC2=C(C=CC=C2)N=C1~    9.614
8324 NC1=C2C=CC=NC2=CC=C1~    9.614
8325 CC1=C2C=CC=CC2=NN=C1~    6.510
8326 N#C[CH]1[CH]2C[CH](C=C2)[CH]1C#N~    7.924
8327 NC1=C2C=CN=CC2=CC=C1~    9.614
8328 CC1=C2C=CC=CC2=NC=N1~    6.503
8330 O=C(CC#N)NC1=CC=CC=C1~   11.592
8331 NC(=O)[CH](C#N)C1=CC=CC=C1~   12.426
8334 CC1=NC2=C(C=CC=C2)N=C1O~   10.485
8335 COC1=C2C=CC=CC2=NC=N1~    6.812
8336 COC1=CC2=NC=CN=C2C=C1~    7.772
8337 N=C1NC(=O)[CH](S1)C2=CC=CC=C2~   12.676
8338 C[CH]1SC(=NC1=O)C2=CC=NC=C2~   11.449
8339 COC1=CC2=NC=CN=C2C=C1O~   11.757
8343 O=C1CNC(=O)N1C2=CC=CC=C2~    8.093
8345 O=C1N[CH](C(=O)N1)C2=CC=CC=C2~    9.896
8346 CC1=CC2=C(C=C1)N=C(O)C(=N2)O~   14.469
8347 CC1=CC=C(C(=C1C#N)C)[N+]([O-])=O~    6.602
8350 CC1=C[N+](=C2C=CC=CC2=[N+]1[O-])[O-]~   16.503
8351 OC(=O)CN1C(=N)SC2=C1C=CC=C2~   11.433
8352 OC(=O)CSC1=NC2=CC=CC=C2N1~   13.100
8353 CNC(=O)SC1=NC2=CC=CC=C2O1~   10.364
8356 [O-][N+](=O)C1=CC=C(C=C1)C(=O)N2CC2~   10.730
8357 OC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2~   13.764
8358 O[C]1(C[N+]([O-])=O)C(=O)NC2=C1C=CC=C2~   12.572
8360 OC(=O)CNC(=O)C1=CC(=CC=C1)[N+]([O-])=O~   14.545
8361 CC(=O)NC1=CC(=CC(=C1)[N+]([O-])=O)C(O)=O~   15.310
8362 ON=C(CC1=CC=C(C=C1)[N+]([O-])=O)C(O)=O~   12.556
8364 CC(=O)CC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~   10.206
8365 OC(=O)CNC(=O)C1=CC=C(C=C1)[N+]([O-])=O~   14.545
8366 NC(=O)NC1=CC=CC(=C1C(O)=O)C(O)=O~   19.088
8368 CCOC(=S)SC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~   10.614
8370 CCOC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O~    9.144
8371 N=C1NC(=CS1)C2=CC=CC=C2~    9.333
8372 CC1=CSC(=N1)C2=CC=NC=C2~    9.372
8373 CC1=NC(=C2C=CC=CC2=N1)S~    5.924
8374 CSC1=C2C=CC=CC2=NN=C1~    8.088
8375 S=C1NC=C(N1)C2=CC=CC=C2~    7.383
8376 NC(=N)C1=CC2=NC=CN=C2C=C1~   12.013
8378 NC1=NC(=NC(=N1)O)C2=CC=CC=C2~   10.917
8379 N=C(NC#N)NC(=O)C1=CC=CC=C1~   12.842
8381 NC(=S)NN=C1C(=O)NC2=C1C=CC=C2~   12.587
8382 NC(=O)NC1=NC(=NO1)C2=CC=CC=C2~   13.171
8383 [O-][N+](=O)C1=CC(=C(NN=CC=C)C=C1)[N+]([O-])=O~    8.642
8385 O=C1CC(=O)N(CN2C(=O)CC(=O)NC2=S)C(=S)N1~   17.002
8386 CC(=NN1CC(=O)NC1=O)C2=CC=C(O2)[N+]([O-])=O~   11.752
8387 CCOC(=O)NC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O~   10.979
8388 N=C1SC=CN1N=CC2=CC=CN=C2~   11.533
8389 NC1=NC(=NC(=C1N=O)N)C2=CC=CN=C2~   18.417
8390 C(NC1=C2N=NNC2=NC=N1)C3=CC=CO3~   14.304
8392 CN1C=NC(=C1SC2=C3N=CNC3=NC(=N2)N)[N+]([O-])=O~   14.480
8394 O[CH](C#C)C1=CC=CC=C1~    7.324
8396 C1[CH]2O[CH]2C3=C1C=CC=C3~    5.326
8397 O=CC=CC1=CC=CC=C1~    5.796
8398 OC(C1=CC=CS1)C2=CC=CS2~    8.286
8399 C=COC(=O)C1=CC=CC=C1~    3.636
8400 CC(=O)C(=O)C1=CC=CC=C1~    7.408
8402 O=C1CCC2=C(O1)C=CC=C2~    4.502
8403 OC(=O)C(=C)C1=CC=CC=C1~    7.889
8405 OC1=CC2=C(C=C1)C(=O)CC2~    9.304
8406 OC(=O)C=CC1=CC=CC=C1~    7.889
8407 OC(=O)C(=S)CC1=CC=CC=C1~    7.425
8410 OC(=O)C(=O)CC1=CC=CC=C1~    9.754
8416 COC(=O)C1=CC=C(C=O)C=C1~    7.063
8419 O=C1OC[CH](O1)C2=CC=CC=C2~    4.656
8420 CC(=O)OC1=CC=C(C=O)C=C1~    6.790
8422 OC(=O)C=CC1=CC=CC(=C1)O~   11.870
8424 OC(=O)CC1=CC=C(C=C1)C(O)=O~   12.051
8425 OC(=O)COC1=C(C=O)C=CC=C1~   10.379
8426 COC(=O)C1=C(C=CC=C1)C(O)=O~    9.156
8427 CC(=O)OC1=CC=C(C=C1)C(O)=O~    8.886
8428 OC(=O)CC1=CC2=C(OCO2)C=C1~   10.289
8430 CC1=C(C=CC(=C1)C(O)=O)C(O)=O~   11.618
8431 CC(=O)OC1=CC2=C(OCO2)C=C1~    7.123
8432 COC(=O)C1=CC2=C(OCO2)C=C1~    7.395
8434 CC(=O)OC1=C(C=CC=C1)C(O)=O~    8.886
8435 CC1=CC(=CC(=C1)C(O)=O)C(O)=O~   11.618
8438 CC(=O)OC1=CC(=CC=C1)C(O)=O~    8.886
8439 COC1=CC(=CC(=C1O)C=O)C=O~    9.587
8441 OC(=O)CSC1=C(C=CC=C1)C(O)=O~   13.629
8442 OC(=O)COC1=C(C=CC=C1)C(O)=O~   12.471
8443 CC(=O)OC1=CC(=C(O)C=C1)C(O)=O~    9.767
8444 O=C1OC2OC3OC(=O)C4C3CC2C14~   10.264
8445 COC1=C(C=C(C=C1)C(O)=O)C(O)=O~   12.889
8446 CC1=C(O)C(=CC(=C1)C(O)=O)C(O)=O~   12.502
8448 CC1=CC2=CC=CC=C2S1~    3.502
8449 C=CSC(=S)SC1=CC=CC=C1~    5.521
8451 C1CC2=C(C=CC=C2)C=N1~    3.719
8452 CC1=CC2=CC=CC=C2N1~    6.010
8454 N#CCCC1=CC=CC=C1~    5.485
8455 CC1=CC=CC(=C1)CC#N~    5.565
8456 C[CH](C#N)C1=CC=CC=C1~    5.485
8457 COC1=CC=C(CC#N)C=C1~    6.836
8458 O=C(N1CC1)C2=CC=CC=C2~    8.327
8459 CN1CC2=C(C=CC=C2)C1=O~    8.408
8462 ON=CC=CC1=CC=CC=C1~    6.585
8463 O=C1CCC2=C(N1)C=CC=C2~    8.523
8464 CCC1=C(SC#N)C=CC(=C1)O~    8.873
8467 CCSC1=NC2=CC=CC=C2O1~    7.575
8468 CC1=C(SC#N)C(=CC(=C1)O)C~    8.955
8472 NC1=CC=C(C=C1)C=CC(O)=O~   11.340
8473 CC(=CC1=CC=CC=C1)[N+]([O-])=O~    5.264
8474 CCOC1=C(C=CC=C1)N=C=O~    4.738
8476 CC(=NO)C(=O)C1=CC=CC=C1~    7.807
8477 N[CH]1CC2=C(C=CC(=C2)O)C1=O~   11.991
8478 C[CH]1NC(=O)C2=C(O1)C=CC=C2~    8.597
8480 COC1=CC=CC(=C1C#N)OC~    6.740
8481 COC1=CC=CC(=C1OC)C#N~    6.740
8482 COC1=CC(=C(OC)C=C1)C#N~    6.740
8483 COC1=CC(=C(C=C1)C#N)OC~    6.740
8487 O=C1NC(=O)[CH]2[CH]3C[CH](C=C3)[CH]12~    7.747
8488 COC1=CC=C(C=C1)[CH](O)C#N~    7.452
8489 CC(=O)C(=NO)C1=CC=CC=C1~    8.319
8491 O=C1OCCN1C2=CC=CC=C2~    6.706
8493 ONC(=O)C=CC1=CC=CC=C1~   12.277
8494 COC(=S)NC(=O)C1=CC=CC=C1~    9.138
8496 CC(=O)CC1=CC=C(C=C1)[N+]([O-])=O~    7.801
8497 CCC(=O)C1=CC=C(C=C1)[N+]([O-])=O~    7.289
8498 CC(=O)C1=CC(=C(C)C=C1)[N+]([O-])=O~    7.370
8499 [O-][N+](=O)C1=CC=C(OCC=C)C=C1~    5.783
8501 CC(=O)NC1=CC(=CC=C1)C(O)=O~   12.907
8502 CC(=O)NC1=CC=C(C=C1)C(O)=O~   12.907
8503 OC(=O)CNC(=O)C1=CC=CC=C1~   12.142
8505 CC(=O)NC1=C(C=CC=C1)C(O)=O~   12.907
8508 OC(=O)C1=CC=C(C=C1O)N2CC2~   10.002
8509 NC(=O)[CH]1COC2=C(O1)C=CC=C2~   11.049
8511 CC(=O)NC(=O)C1=C(O)C=CC=C1~    8.827
8512 NC1=CC=C(CC(=O)C(O)=O)C=C1~   13.206
8513 OC(=O)CN=CC1=C(O)C=CC=C1~   11.218
8514 CCN1C(=O)C2=C(C=CC=C2)S1(=O)=O~    8.445
8515 OS(=O)(=O)CC1=CNC2=C1C=CC=C2~   12.777
8516 OC(=O)CNC(=O)SC1=CC=CC=C1~   10.298
8517 [O-][N+](=O)C1=CC=CC(=C1)OC[CH]2CO2~    8.565
8518 [O-][N+](=O)C1=CC=C(OC[CH]2CO2)C=C1~    8.565
8519 [O-][N+](=O)C1=C(OC[CH]2CO2)C=CC=C1~    8.565
8521 CC(=O)OC1=C(C(=CC=C1)C)[N+]([O-])=O~    6.550
8522 CCOC(=O)C1=C(C=CC=C1)[N+]([O-])=O~    6.740
8524 CCOC(=O)C1=CC=C(C=C1)[N+]([O-])=O~    6.740
8526 OC(=O)CNC1=CC=C(C=C1)C(O)=O~   13.903
8527 COC(=O)C1=C(N=CC=C1)C(=O)OC~    9.533
8528 COC(=O)C1=NC(=CC=C1)C(=O)OC~    9.533
8529 COC(=O)C1=C(C(=CC=C1)C)[N+]([O-])=O~    6.821
8531 CC1=C(C=C(C(O)=O)C(=N1)C)C(O)=O~   14.458
8532 COC1=CC=CC(=C1O)C=C[N+]([O-])=O~   10.670
8534 CCOC(=O)C1=CC(=CC=C1)[N+]([O-])=O~    6.740
8536 COC(=O)C1=CC=C(N=C1)C(=O)OC~    9.533
8537 COC(=O)NC1=C(C=CC=C1)C(O)=O~   12.358
8538 COC1=C(O)C=CC(=C1)C=C[N+]([O-])=O~   10.670
8539 CC1=CC=C(C(=C1C(O)=O)C)[N+]([O-])=O~    9.283
8540 [O-][N+](=O)C1=CC(=CC=C1)C2OCCO2~    8.149
8541 COC1=C(C=C(C=C1)C(C)=O)[N+]([O-])=O~    8.640
8543 OC(=O)CCSC1=C(C=CC=C1)[N+]([O-])=O~   11.213
8545 OCCN1C(=O)C2=C(C=CC=C2)S1(=O)=O~   12.883
8546 CCOC(=O)C=CC1=CC=C(O1)[N+]([O-])=O~    7.666
8547 COC1=CC(=C(C=C1C=O)[N+]([O-])=O)OC~    9.733
8548 COC1=CC(=CC(=C1OC)C=O)[N+]([O-])=O~    9.733
8549 OC(=O)CCOC1=C(C=CC=C1)[N+]([O-])=O~   10.907
8551 COC1=CC(=CC(=C1O)C(C)=O)[N+]([O-])=O~    9.523
8552 CC(=O)OC(OC(C)=O)C1=CC=C(O1)[N+]([O-])=O~    9.876
8553 N#CCCSC1=CC=CC=C1~    7.063
8554 NCC1=CC2=CC=CC=C2S1~    7.489
8557 CC1=C2C=CC(=NC2=NC(=C1)O)N~   16.437
8558 N=C1CC(=O)N(N1)C2=CC=CC=C2~   11.156
8560 NNC(=O)C1=CC2=CC=CC=C2N1~   14.818
8561 NC(=O)N[CH](C#N)C1=CC=CC=C1~   13.572
8562 CC1=NC2=C(C=CC=C2)C(=O)N1N~   11.693
8564 C[C]1(NC(=O)NC1=O)C2=CC=NC=C2~   12.658
8565 C[C]1(NC(=O)NC1=O)C2=CC=CC=N2~   12.658
8566 CCC1=NC2=CC(=CC=C2N1)[N+]([O-])=O~    8.674
8567 NC(=S)NN=CC1=CC2=C(OCO2)C=C1~   10.402
8569 NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2~   13.233
8570 NC(=O)NC(=O)NC(=O)C1=CC=CC=C1~   15.886
8571 NC(=O)NN=CC1=CC2=C(OCO2)C=C1~   13.038
8572 NC(=S)NC(=O)CC1=CC=C(C=C1)[N+]([O-])=O~   12.788
8573 COCC1=C(C(=NC(=C1C#N)O)C)[N+]([O-])=O~   15.399
8574 NC(=O)CNC(=O)C1=CC=C(C=C1)[N+]([O-])=O~   13.036
8575 NC(=O)NC(=O)CC1=CC=C(C=C1)[N+]([O-])=O~   13.463
8576 C[CH]1CN(N=CC2=CC=C(O2)[N+]([O-])=O)C(=S)O1~    8.907
8578 CN(C)C(=S)SC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~    9.440
8580 [O-][N+](=O)C1=CC=C(O1)C=NN2CCCOC2=O~   10.365
8582 OC[CH]1CN(N=CC2=CC=C(O2)[N+]([O-])=O)C(=O)O1~   14.801
8584 COC1=CC=C(NC(C)=O)C(=C1[N+]([O-])=O)[N+]([O-])=O~   12.907
8585 CCC(SC1=C(C=CC=C1)[N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O~   12.447
8587 NC1=C(SC(=N)N1)C2=CC=CC=C2~   10.500
8588 NC1=CC(=CC=C1)C2=CSC(=N)N2~   12.785
8589 NC1=NC(=NC(=N1)N)C2=CC=CC=C2~   10.386
8590 N=C1NC(=N)N(C=N1)C2=CC=CC=C2~   12.419
8591 NC(=O)NC1=NC(=NN1)C2=CC=CC=C2~   14.358
8592 C1CC2=C(C=C1)C=CC=C2~    2.676
8593 C[CH]1C=CC2=C1C=CC=C2~    2.676
8595 C1=CC=[N+](C=C1)C2=CC=NC=C2~   16.475
8597 NNC1=C2C=CC=CC2=CC=C1~    9.110
8599 NNC1=CC2=C(C=CC=C2)C=C1~    9.110
8602 CC1=CC=C2C=CC=NC2=C1N~    9.572
8603 CC1=C2C=CC=CC2=NC(=C1)N~    9.572
8605 N#C[CH]1[CH]2CC[CH](C=C2)[CH]1C#N~    7.804
8606 C(C1=NC=CN1)C2=CC=CC=C2~    6.475
8607 CC1=NC(=C2C=CC=CC2=N1)C~    6.460
8611 COC1=CC2=C(N)C=CN=C2C=C1~   10.842
8613 COC1=CC2=C(C=C1)N=C(N)C=C2~   10.842
8614 CC1=NN(C(=O)C1)C2=CC=CC=C2~    7.045
8615 O=C(CC1=CC=CC=C1)NCC#N~   12.085
8616 CC(=O)CC1=NC2=CC=CC=C2N1~    9.565
8617 CC1=NC2=C(NC(=O)C1)C=CC=C2~    9.088
8618 CC1=C(C)[N+](=C2C=CC=CC2=N1)[O-]~   11.460
8619 CN1N=C(CC1=O)C2=CC=CC=C2~    8.631
8620 NNC(=O)CC1=CSC2=C1C=CC=C2~   12.699
8621 CC(=O)SCC1=NC2=CC=CC=C2N1~    9.465
8622 O=C1C[CH](NC(=S)N1)C2=CC=CC=C2~   10.398
8623 O=C1NC(=S)N[CH]1CC2=CC=CC=C2~    9.098
8624 C[CH](OC(=O)NC1=CC=CC=C1)C#N~    7.100
8625 CC1=NN(C2=CC=CC=C2)C(=O)[CH]1O~    7.851
8629 COC1=CC=C(C=C1)[CH](C#N)C(N)=O~   13.654
8632 COC1=CC=C(NC(=O)CC#N)C=C1~   12.821
8633 O=C1CNC(=O)N1CC2=CC=CC=C2~    9.556
8635 O=C1C=C(N2CC2)C(=O)C=C1N3CC3~   12.996
8636 CC1=C(C)C2=C(C=C1)C(=NO)C(=O)N2~   11.481
8638 OCC1=NC2=C(C=CC=C2)N=C1CO~   12.333
8639 COC1=NC2=C(C=CC=C2)N=C1OC~    7.081
8640 O=C1C[CH](NC(=O)N1)C2=CC=CC=C2~   11.074
8642 O=C1N[CH](CC2=CC=CC=C2)C(=O)N1~    9.775
8643 CCOC(=O)SC1=NC2=CC=CC=C2N1~    8.399
8644 NS(=O)(=O)C1=CC=C(C=C1)N2C=CC=C2~   11.588
8646 O=C1[CH]2CC=CC[CH]2C(=O)N1CSC#N~    7.728
8647 NC1=CC2=C(C=CC=C2)C=C1S(N)(=O)=O~   10.836
8648 CC(=O)C(=NNC1=CC=CC=C1)C(O)=O~   12.294
8649 CCOC(=O)C1=C(C#N)C(=NC(=C1)C)O~   13.175
8650 OC(=O)C=CC(=O)NNC1=CC=CC=C1~   16.197
8651 COC1=CC=C(C=C1OC)C(=O)C=[N+]=[N-]~    6.503
8653 CC1=CN(CC2=CC=CO2)C(=O)NC1=O~   10.620
8656 COC1=CC(=C(C=C1OC)[N+]([O-])=O)CC#N~   10.467
8658 CC(=O)NCC(=O)C1=CC=C(C=C1)[N+]([O-])=O~   12.588
8659 CC(=O)CC(=O)NC1=CC=C(C=C1)[N+]([O-])=O~   13.785
8660 CCOC(=O)C(=NO)C(=O)C1=CC=NC=C1~   13.312
8662 NC(=O)SCC(=O)NC1=C(C=CC=C1)C(O)=O~   14.684
8663 NC(=O)SCC(=O)NC1=CC=C(C=C1)C(O)=O~   14.684
8664 CN(C)S(=O)(=O)N1C(=O)C2=CC=CC=C2C1=O~    9.341
8666 NS(=O)(=O)C1=CC=C(C=C1)N2C(=O)CCC2=O~   10.991
8668 CC1=NN(C(=O)C1)C2=CC(=CC=C2)S(O)(=O)=O~   13.376
8669 CC(=O)NC1=C(C=C(OC(C)=O)C=C1)[N+]([O-])=O~   11.193
8671 CCOC(=O)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O~   12.342
8672 COC(=O)C1=C(NC(C)=O)C=CC(=C1)[N+]([O-])=O~   12.804
8674 OC(=O)[CH](CC1=CC=C(C=C1)[N+]([O-])=O)NC=O~   14.676
8675 COC(=O)C1=CC(=C(NC(C)=O)C=C1)[N+]([O-])=O~   11.465
8676 N[CH](CC(=O)C1=C(C=CC=C1)[N+]([O-])=O)C(O)=O~   15.106
8677 O=C1CCNC(=O)N1OS(=O)(=O)C2=CC=CC=C2~   12.374
8678 CCOC(=O)C1=CC(=C(C)C(=C1)[N+]([O-])=O)[N+]([O-])=O~    9.101
8679 CCOC(=O)NC1=CC(=CC(=C1)[N+]([O-])=O)C(O)=O~   14.638
8680 NC1=C2C=CC(=CC2=CC(=C1N)S(O)(=O)=O)S(O)(=O)=O~   22.845
8681 CC1=CC(=CC=C1)C2=CSC(=N)N2~    9.291
8682 CC1=C(C=CC=C1)C2=CSC(=N)N2~    9.291
8683 C(NC1=CC=CC=N1)C2=CC=CS2~    9.620
8684 CC1=CN=C(N1)N=NC2=CC=CC=C2~    7.947
8685 NC1=NC=CC(=N1)NC2=CC=CC=C2~    9.146
8687 NC(=O)NN=CC1=CNC2=C1C=CC=C2~   13.886
8688 NC(=O)C1=C(N)N(N=C1)C2=CC=CC=C2~   17.710
8689 NC1=C(N=NN1CC2=CC=CC=C2)C(O)=O~   13.735
8690 NNC(=O)C1=NN(C(=O)C1)C2=CC=CC=C2~   11.866
8691 COC1=C(C=CC=C1)N=N[CH](C#N)C(N)=O~   14.362
8694 NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2~    9.801
8695 NC1=CC=C(C=C1)S(=O)(=O)NC2=CN=CC=N2~   13.351
8696 CC(=C)C=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~    8.447
8697 CN1C=NC(=C1S(=O)(=O)NC2=CC=CC=C2)[N+]([O-])=O~   10.863
8700 CC1=CSC(=N1)NN=CC2=CC=CN=C2~   12.375
8701 CC1=CSC(=N1)NN=CC2=CC=NC=C2~   12.375
8702 NC1=C(S)N=C(NC2=CC=CC=C2)N=C1~    8.570
8703 NC1=NC(=C(N=NC2=CC=CC=C2)C(=N1)O)N~   15.435
8704 NC1=NC(=C2CC3=C(CC2=N1)C(=NC(=N3)N)O)O~   21.564
8705 CC(=O)C1=C(C=C)C=CC=C1~    5.298
8706 C[C](O)(C#C)C1=CC=CC=C1~    7.201
8707 O=C1CCCC2=C1C=CC=C2~    5.198
8709 O=C(C1CC1)C2=CC=CC=C2~    5.118
8711 CC=CC(=O)C1=CC=CC=C1~    5.091
8713 CCC(=O)C(=O)C1=CC=CC=C1~    7.286
8714 O=C1C[CH](CO1)C2=CC=CC=C2~    5.081
8715 CC(=O)CC(=O)C1=CC=CC=C1~    8.180
8716 OC1=C2CC=CCC2=C(O)C=C1~   10.313
8717 CC=CC1=CC2=C(OCO2)C=C1~    5.298
8718 CC1(C)OC(=O)C2=C1C=CC=C2~    4.650
8719 COC(=O)C=CC1=CC=CC=C1~    5.383
8720 C=CCC1=CC2=C(OCO2)C=C1~    5.042
8721 CC(=CC(O)=O)C1=CC=CC=C1~    7.693
8722 CC(=O)C=CC=CC1=CC=CO1~    5.833
8723 CC(=O)OC(=C)C1=CC=CC=C1~    4.282
8724 C[CH]1CC(=O)OC2=C1C=CC=C2~    4.378
8725 CC1=CC2=C(OC(=O)CC2)C=C1~    4.458
8726 CC1=CC2=C(CCC(=O)O2)C=C1~    4.458
8727 C=CC(=O)OCC1=CC=CC=C1~    5.127
8728 O=COCC=CC1=CC=CC=C1~    4.851
8730 COC1=CC=C(C=CC=O)C=C1~    7.023
8731 CC(=O)C=CC1=CC=C(O)C=C1~    9.914
8732 C=CCOC(=O)C1=CC=CC=C1~    4.341
8733 C[CH]1CC2=C(C=C(O)C=C2)C1=O~    9.181
8734 O=C1C=CC(=O)[CH]2CC=CC[CH]12~    8.231
8735 OC(=O)[CH]1C[CH]1C2=CC=CC=C2~    7.463
8736 C=CCOC1=CC=C(C=O)C=C1~    5.983
8737 O=C1CC[CH](O1)C2=CC=CC=C2~    5.081
8738 CCOC1=CC2=C(C=C1)C(=CS2)O~    8.631
8739 CC(=CC1=CC=C(O)C=C1)C(O)=O~   11.676
8741 O=C1OC(=O)[CH]2[CH]3CC[CH](C=C3)[CH]12~    4.833
8742 COC1=CC=CC(=C1)C=CC(O)=O~    9.116
8743 COC1=CC=C(C=CC(O)=O)C=C1~    9.116
8744 CC(=O)COC(=O)C1=CC=CC=C1~    6.783
8746 COC1=C(C=CC=C1)C=CC(O)=O~    9.116
8748 CCOC(=O)C1=CC=C(C=O)C=C1~    6.939
8749 OCC=CC1=CC2=C(OCO2)C=C1~    9.735
8750 C[C]1(O[CH]1C2=CC=CC=C2)C(O)=O~    9.169
8752 OC(=O)C1CC1OC2=CC=CC=C2~    8.735
8754 CCC(=O)C1=CC2=C(OCO2)C=C1~    7.821
8755 CC(=O)OC1=C(C=CC=C1)C(C)=O~    6.928
8756 COC1=CC2=C(C=C1O)C(=O)CC2~   10.532
8757 C[CH]1O[CH]1C2=CC3=C(OCO3)C=C2~    7.824
8758 CC(=CC1=CC(=CC=C1)O)C(O)=O~   11.676
8759 CC(=O)OC1=CC=C(C=C1)C(C)=O~    6.928
8760 CC(=O)OC1=CC2=C(CCO2)C=C1~    5.728
8761 COC(=O)C1=CC=C(C=C1)C(C)=O~    7.199
8762 COC1=CC=C(CC(=S)C(O)=O)C=C1~    8.654
8763 COC1=C(O)C=CC(=C1)C=CC(O)=O~   13.099
8764 COC(=O)C1=CC=C(C=C1)C(=O)OC~    6.650
8765 CC(=O)OC1=CC(=CC=C1)OC(C)=O~    6.108
8766 OC(=O)C(CC1=CC=CC=C1)C(O)=O~   12.360
8769 CC(=O)C1=CC=C(OCC(O)=O)C=C1~   10.514
8772 COC(=O)C1=CC(=CC=C1)C(=O)OC~    6.650
8773 COC(=O)C1=C(C=CC=C1)C(=O)OC~    6.650
8775 OC(=O)CCC1=C(C=CC=C1)C(O)=O~   11.928
8776 COC1=CC(=O)O[CH](C1)C2=CC=CO2~    6.321
8777 COC1=CC2=C(C=C1OC)C(=O)OC2~    7.352
8778 COC1=C(OC(C)=O)C=CC(=C1)C=O~    8.020
8779 CC(=O)OC1=C(OC(C)=O)C=CC=C1~    6.108
8781 COC1=CC=C2COC(=O)C2=C1OC~    7.352
8782 OC(=O)C=CC=CC=CC=CC(O)=O~   11.565
8783 OC(=O)CCC(=O)C1=CC=C(O)C=C1~   13.996
8784 OC(=O)CCC(=O)OC1=CC=CC=C1~    9.194
8785 CCC(=O)OC1=C(C=CC=C1)C(O)=O~    8.762
8786 CC(=O)OC1=C(C=CC=C1C)C(O)=O~    8.842
8787 CC(=O)OC1=CC=C(CC(O)=O)C=C1~    9.274
8788 CCOC(=O)C1=CC2=C(OCO2)C=C1~    7.271
8789 CC(=O)C1=CC=CC(=C1)OCC(O)=O~   10.514
8790 O=COC[CH](OC=O)C1=CC=CC=C1~    7.077
8791 CS(=O)(=O)C1=CC=C(C=CC(O)=O)C=C1~   11.524
8793 CC(=O)OCOC(=O)C1=C(O)C=CC=C1~    7.967
8795 OC(=O)C[CH](C(O)=O)C1=C(O)C=CC=C1~   16.343
8796 COC(=O)C1=CC(=C(C=C1)C(=O)OC)O~    7.533
8797 OC(=O)COC1=CC=CC(=C1)OCC(O)=O~   13.281
8801 OC(=O)COC1=CC=C(OCC(O)=O)C=C1~   13.281
8802 OC(=O)CC1=CC(=C(CC(O)=O)C=C1O)O~   20.406
8803 C[C]1(CC(=CC(=C1)C(O)=O)C(O)=O)C(O)=O~   16.740
8804 CCOC(=O)C(=O)[CH]1C(=O)[CH](C)C(=O)C1=O~   15.133
8806 OS(=O)(=O)CC(=O)C1=CC=CC(=C1)C(=O)CS(O)(=O)=O~   21.282
8809 CC1=C2C=CC=CC2=CCN1~    4.622
8810 CN1C=C(C)C2=C1C=CC=C2~    4.680
8812 NC1=C2CCC=CC2=CC=C1~    6.128
8813 NC1=C2CC=CCC2=CC=C1~    5.801
8814 CC1=C(C)C2=C(N1)C=CC=C2~    5.967
8818 N#CCCCOC1=CC=CC=C1~    6.633
8819 OCCC1=CNC2=C1C=CC=C2~   10.323
8820 CC(C=CC1=CC=CC=C1)=NO~    6.461
8821 CCN1C(=O)CC2=C1C=CC=C2~    7.211
8822 O=C1CCCN1C2=CC=CC=C2~    7.131
8823 ON=C1CCCC2=C1C=CC=C2~    6.514
8824 O=C1CC[CH](N1)C2=CC=CC=C2~    8.936
8825 CC(=C)C(=O)NC1=CC=CC=C1~    8.292
8826 CN(C(=O)C=C)C1=CC=CC=C1~    7.176
8827 N[CH]1CCC2=C(C=CC=C2)C1=O~    7.886
8828 N#CCCOCC1=CC=CC=C1~    7.417
8829 CC(C)C1=CC(=CC=C1O)SC#N~    8.752
8830 CCSC(=S)NC(=O)C1=CC=CC=C1~    7.686
8831 OCCN1CC2=C(C=CC=C2)C1=O~   12.721
8835 CC1=CC=C(C=C1)C(=O)C(C)=NO~    7.764
8837 COC1=CC2=C(C[CH](N)C2=O)C=C1~    9.237
8838 COC1=CC(=CC=C1)OCCC#N~    7.983
8839 CC(=O)NC1=C(C=CC=C1)C(C)=O~   10.951
8840 C=CCOC(=O)NC1=CC=CC=C1~    7.542
8841 OC(=O)[CH]1CC2=C(CN1)C=CC=C2~   10.013
8842 C[CH](C(N)=O)C(=O)C1=CC=CC=C1~   11.703
8844 N[CH]1C[CH](OC1=O)C2=CC=CC=C2~    7.770
8846 CCC(=CC1=CC=CC=C1)[N+]([O-])=O~    5.141
8848 C[C]1(CNC(=O)O1)C2=CC=CC=C2~    8.386
8849 N[C]1(CCC2=C1C=CC=C2)C(O)=O~   10.232
8850 CC(=O)NC1=CC=C(C=C1)C(C)=O~   10.951
8851 CC1=CC=C(C=C1)N2CCOC2=O~    6.662
8853 CC(C=CC1=CC=C(O)C=C1)=NO~   10.444
8855 O=C1NCC[CH](O1)C2=CC=CC=C2~    8.386
8856 OC(=O)CCSC(=S)NC1=CC=CC=C1~    9.879
8857 COC1=CC=C(C=C1)C(=O)C(C)=NO~    9.034
8859 CC(=O)N(CC(O)=O)C1=CC=CC=C1~   10.726
8860 CCOC(=O)C(=O)NC1=CC=CC=C1~    9.939
8864 COC1=CC2=C(NC(=O)C2)C=C1OC~   11.101
8865 CCOC(=O)C1=CC=C(NC=O)C=C1~   10.141
8868 CC(=O)O[CH](C(N)=O)C1=CC=CC=C1~   10.818
8870 CC(=O)C(CC1=CC=C(O)C=C1)=NO~   12.178
8872 CC(=O)NC1=C(OC(C)=O)C=CC=C1~   10.130
8873 ON=C(CCC(O)=O)C1=CC=CC=C1~   11.330
8874 CC(=O)NC1=CC(=CC=C1)OC(C)=O~   10.130
8875 CCOC(=O)CC(=O)C1=CC=CN=C1~   10.391
8876 CC(=O)NC1=CC=C(OC(C)=O)C=C1~   10.130
8878 N[CH](CC(=O)C1=CC=CC=C1)C(O)=O~   12.701
8879 COC1=C(OC)C=C(C=C1)[CH](O)C#N~    8.680
8880 C[CH](NC(=O)C1=CC=CC=C1)C(O)=O~   12.019
8881 OC1=CC=C(CN2CCOC2=O)C=C1~   12.151
8882 COC(=O)C1=C(NC(C)=O)C=CC=C1~   10.400
8883 CC(=O)N1CCS(=O)(=O)C2=C1C=CC=C2~   10.889
8884 CC1=CC=C(C=C1)S(=O)(=O)OCCC#N~    9.310
8885 CC(C)N1C(=O)C2=CC=CC=C2S1(=O)=O~    8.322
8886 OC(=O)CNC(=O)SCC1=CC=CC=C1~   10.690
8887 OC(=O)CNC(=O)OCC1=CC=CC=C1~   11.983
8888 COC1=CC(=CC=C1O)C=C(C)[N+]([O-])=O~   10.475
8889 CCCC(=O)OC1=CC=C(C=C1)[N+]([O-])=O~    6.346
8891 OC(=O)CCNC(=O)C1=C(O)C=CC=C1~   14.201
8892 COC(=O)C1=C(OC(=O)CN)C=CC=C1~    9.067
8894 NC(CC1=CC=CC=C1)(C(O)=O)C(O)=O~   15.048
8895 COC(=O)C1=CC(=C(C=C1)C(=O)OC)N~   10.102
8896 CCOC(=O)CC1=CC=C(C=C1)[N+]([O-])=O~    7.130
8897 CC[CH](C(O)=O)C1=CC=C(C=C1)[N+]([O-])=O~    9.513
8898 COC1=C(OC)C=C(C=C1)C=C[N+]([O-])=O~    7.914
8899 COC(=O)C1=CC(=CC(=C1)N)C(=O)OC~   10.102
8900 COC(=O)NC1=C(C=CC=C1)C(=O)OC~    9.851
8904 CC(=O)NC1=CC(=CC=C1)OCC(O)=O~   13.717
8905 CC(=O)NC1=C(OCC(O)=O)C=CC=C1~   13.717
8906 COC(=O)C1=C(C=C(N)C=C1)C(=O)OC~   10.102
8907 COC1=C(OC)C(=C2C(=O)OCC2=C1)N~   10.804
8909 C[C](O)(CC(O)=O)C1=CC=C(C=C1)[N+]([O-])=O~   13.951
8910 CCOC(=O)OC1=C(C=C(C)C=C1)[N+]([O-])=O~    5.876
8911 COC1=CC(=CC=C1O)CC(=NO)C(O)=O~   15.364
8913 CC(=O)OCCOC1=CC=C(C=C1)[N+]([O-])=O~    8.401
8914 CC(C)(OC1=CC=C(C=C1)[N+]([O-])=O)C(O)=O~    9.932
8915 CC(C)OC1=C(C=CC=C1[N+]([O-])=O)C(O)=O~   10.351
8916 CCCOC1=C(C=CC=C1[N+]([O-])=O)C(O)=O~   10.351
8918 CCOC(=O)C1=C(NC(=C1C)C(O)=O)C(O)=O~   16.460
8919 CCOC(=O)C1=C(C)OC(=O)C(=C1C)[N+]([O-])=O~    8.724
8921 C[CH](CC(O)=O)S(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O~   13.190
8922 N#CCCSCC1=CC=CC=C1~    7.457
8923 CC1=CC=C(SCCC#N)C=C1~    7.020
8924 C1CSC(=NC1)C2=CC=CC=C2~    5.611
8926 CC1=CC(=C2C=C(N)C=CC2=N1)N~   13.023
8927 CN1C(=CC=C1C2=CC=CN=C2)N~   11.163
8928 C1CN1CC2=NC3=CC=CC=C3N2~   10.053
8930 CC1=NN(C(=O)C1)C2=CC=C(N)C=C2~   10.496
8931 OCCNC1=C2C=CC=CC2=NC=N1~   13.971
8933 CC1=NN(C(=O)C1)C2=CC(=CC=C2)N~   10.496
8934 NC(=O)NN=CC=CC1=CC=CC=C1~   10.241
8935 O=C(NCCC#N)NC1=CC=CC=C1~   12.614
8936 NC1=CCNC(=O)N1C2=CC=CC=C2~    9.251
8937 C=CCC(=S)NNC(=O)C1=CC=NC=C1~   13.527
8938 COC1=CC=C(C=C1)C=NC(=S)NC(N)=S~    7.656
8939 N[CH](CC1=NNC2=C1C=CC=C2)C(O)=O~   14.094
8942 CC[C]1(NC(=O)NC1=O)C2=CC=CC=N2~   12.535
8943 COC1=C(OC)C(=C2N=CC=NC2=C1)N~   12.453
8946 O=C1NC[CH](NC2=CC=CC=C2)C(=O)N1~   12.928
8948 NCC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2~   13.726
8949 CC1=NN(C(=O)C1)C2=CC(=CC=C2)S(N)(=O)=O~   11.151
8951 CCOC(=O)NN=CC1=CC=C(C=C1)[N+]([O-])=O~   10.349
8952 [O-][N+](=O)C1=CC(=C(C=C1)N2CCOCC2)[N+]([O-])=O~    9.699
8953 CCC(=NN1CCOC1=O)C2=CC=C(O2)[N+]([O-])=O~   10.241
8954 CC([CH](C[N+]([O-])=O)C1=CC=CC=C1)([N+]([O-])=O)[N+]([O-])=O~   11.585
8956 NC(=S)NN=CC=CC1=CC=CC=C1~    7.606
8959 NC1=NC(=NC(=N1)CC2=CC=CC=C2)N~   10.321
8960 NC1=NC=NC(=C1N)NC2=CC=CC=C2~   16.148
8962 CCOC(=O)CC1=NC2=C(O)N=C(N)N=C2N=C1O~   20.136
8964 NC1=NC=NC2=C1N=CN2[CH](O[CH](CO)C=O)C=O~   22.441
8965 CSC1=CC=C(NC2=NC(=NC=N2)N)C=C1~   11.065
8967 CC=C(C)C1=CC=CC=C1~    2.168
8970 C1CNC(=NC1)C2=CC=CC=C2~    7.286
8971 CC(C=CC1=CC=CC=C1)=NN~    6.143
8974 CC[N+]1=C2C=CC=CC2=NC=C1~   11.093
8976 CN(C)[CH](C#N)C1=CC=CC=C1~    8.914
8977 CCCC1=NC2=CC=CC=C2N1~    6.147
8978 CN[CH](CC1=CC=CC=C1)C#N~    9.131
8979 C[CH](CCC1=CC=CC=N1)C#N~    8.122
8981 N#C[CH]1C2CCC(CC2)[CH]1C#N~    7.747
8984 O=C1NCCN1CC2=CC=CC=C2~    9.863
8985 NC(=O)[CH]1CN1CC2=CC=CC=C2~   11.405
8986 C[CH]1CC(=O)NC2=C(N1)C=CC=C2~   11.553
8987 COC1=CC=C(C=C1)C2=NCCN2~    8.636
8988 C[CH](O)C1=NC2=C(C=CC=C2)N1C~    9.378
8989 CC(=O)N1CCNC2=C1C=CC=C2~   10.364
8990 CC(C)OC1=NC2=CC=C(N)C=C2S1~   10.860
8991 OC1=C(C=C(O)C(=C1)N2CC2)N3CC3~   14.542
8992 CN(C)C1=CC=C(C=C1)C=C[N+]([O-])=O~    7.258
8993 CC(C)=NOC(=O)NC1=CC=CC=C1~    7.199
8994 CC(=O)NC1=CC(=CC=C1)NC(C)=O~   10.951
8995 CCOC(=O)C1=CC=C(C=C1)C(N)=N~    9.804
8996 CCOC(=O)C1=C(C)C(=C(C)N1)C#N~    9.040
8997 CC(=O)NC1=C2CCCC2=NC(=C1)O~   15.223
8999 CCOC(=O)NN=CC1=CC=CC=C1~    7.947
9001 CC1=C(NC(=O)CSC(N)=O)C=CC=C1~    9.947
9002 CC1=CC=C(NC(=O)CSC(N)=O)C=C1~    9.947
9004 OC(=O)CCNC(=S)NC1=CC=CC=C1~   11.724
9006 CCCNS(=O)(=O)C1=NC2=CC=CC=C2S1~    9.947
9009 CC(=O)NC1=C(C=C(C)C=C1C)[N+]([O-])=O~    9.188
9010 CCCNC(=O)C1=CC(=CC=C1)[N+]([O-])=O~   10.471
9012 C=CCC1(CC=C)C(=O)NC(=O)NC1=O~   12.452
9013 NC1=CC=C(NC(=O)CCC(O)=O)C=C1~   16.668
9014 CC(=O)NC1=C(C)C(=CC=C1C)[N+]([O-])=O~   10.527
9015 CC(C)C(=O)NC1=CC(=CC=C1)[N+]([O-])=O~   10.368
9017 CC(C)C(=O)NC1=C(C=CC=C1)[N+]([O-])=O~    9.027
9020 OC(=O)CCC(=O)NNC1=CC=CC=C1~   15.593
9021 CC(=O)NCCC1=CC=C(C=C1)[N+]([O-])=O~   10.983
9023 C[CH]1CN(CC2=CC=CO2)C(=O)NC1=O~   10.611
9024 CCOC1=C(C=CC=C1)C=NNC(O)=O~   11.678
9025 COC1=CC=C(NC(=O)CSC(N)=O)C=C1~   11.216
9026 COC1=C(NC(=O)CSC(N)=O)C=CC=C1~   11.216
9027 COC(=O)[CH]1CCC2=C(C1)C(=NC(=N2)S)O~   11.588
9028 CC(=O)O[C](C)(C#N)[C](C)(OC(C)=O)C#N~    5.134
9030 CCOC(=O)CNC1=C(C=CC=C1)[N+]([O-])=O~    7.642
9031 CC(C)(CC1=CC=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~    7.503
9032 CCOC1=CC(=C(NC(C)=O)C=C1)[N+]([O-])=O~   10.379
9033 CC1=C(C(=C(C)C(=C1C)[N+]([O-])=O)C)[N+]([O-])=O~    6.907
9034 COC(=O)NC1=CC=C(NC(=O)OC)C=C1~    9.854
9035 CCOC(=O)NNC1=C(C=CC=C1)C(O)=O~   14.613
9037 CNC(=O)OC1=C(OC(=O)NC)C=CC=C1~    9.517
9038 CC(C)(C)C1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~    6.664
9039 CC(C)OC(=O)NC1=CC(=CC=C1)[N+]([O-])=O~    9.818
9040 N[CH](CSCC1=CC=C(C=C1)[N+]([O-])=O)C(O)=O~   14.295
9041 CC(C)C1=C(O)C(=C(C)C(=C1)[N+]([O-])=O)[N+]([O-])=O~    7.228
9042 CC(C)(C)C1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O~    7.147
9043 NS(=O)(=O)C1=CC=C(NC(=O)CCC(O)=O)C=C1~   17.321
9044 [O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2~   10.260
9045 [O-][N+](=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2~   10.260
9046 [O-][N+](=O)C1=CC=C(C=C1)N2CCOS(=O)OCC2~   10.256
9048 S=C1NCC(CN1)C2=CC=CC=C2~    7.444
9049 C1CN=C(N1)SCC2=CC=CC=C2~    9.381
9050 CCCSC1=NC2=CC=CC=C2N1~    7.726
9051 CN(C)CSC1=NC2=CC=CC=C2S1~    8.597
9052 N#CC1(CCC1)N=NC2(CCC2)C#N~   10.371
9053 C(CC1=NN=NN1)CC2=CC=CC=C2~    7.018
9054 OC1=C2N=CN(C3CCCC3)C2=NC=N1~   12.219
9056 O[CH]1CCC[CH]1N2C=NC3=CN=CN=C23~   12.674
9057 OC1=C2C=NN(C3CCCC3)C2=NC=N1~   12.226
9058 CC(=O)NC1=CC=C(C=C1)C=NNC(N)=S~   13.408
9059 CC(=NO)C(=NNC(N)=S)C1=CC=CC=C1~   11.442
9061 SC1=C2N=CN([CH]3CCCCO3)C2=NC=N1~   10.614
9062 O[CH]1CCC[CH]1N2C=NC3=C(S)N=CN=C23~   12.097
9063 CSC1=C2N=CN([CH]3CCCO3)C2=NC=N1~   11.260
9065 CC(=O)NC1=CC=C(C=C1)C=NNC(N)=O~   16.044
9066 CN1C(=O)N(C)C2=C(N=C(CC=C)N2)C1=O~   11.614
9068 O[CH]1CCC[CH]1N2C=NC3=C(O)N=CN=C23~   16.656
9070 CN1C(=O)N(C)C2=C(N=C(C)C(=N2)C)C1=O~   11.799
9071 CN1C=NC2=C1C(=O)N(CC=C)C(=O)N2C~   10.328
9072 CCOC(=O)CN1C=NC2=C1N=CN=C2SC~   10.818
9073 CN1C=NC(=C1S(=O)(=O)NC2=CC=CC=C2)N~   11.914
9074 CCC1=NN=C(NS(=O)(=O)C2=CC=C(N)C=C2)S1~   13.457
9075 CC(=O)NC1=C(C=NN1CCOC(C)=O)C#N~   14.559
9080 CC(C)C=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~    8.391
9081 CN1C(=O)N(C)C2=C(N=C(CCC(O)=O)N2)C1=O~   16.738
9082 CC(CCC(O)=O)=NNC1=CC=C(C=N1)[N+]([O-])=O~   15.339
9083 OC[CH]1O[CH]([CH](O)[CH]1O)N2C=NC3=C(S)N=CN=C23~   17.924
9085 OC[CH]1O[CH]([CH](O)[CH]1O)N2C=NC3=CN=C(S)N=C23~   17.924
9086 OC[CH]1O[CH]([CH](O)[CH]1O)N2C=NC3=C(O)N=CN=C23~   22.484
9087 OC[CH]1O[CH]([CH](O)[CH]1O)N2C=NC3=C(O)N=C(O)N=C23~   26.467
9088 SC1=C2N=CN(C3CCCC3)C2=NC=N1~    7.660
9089 C1CCC(C1)SC2=C3N=CNC3=NC=N2~    9.511
9091 CSC1=C2C=C(C)C(=NC2=NC(=N1)N)C~    9.190
9092 CCC1=NC2=NC(=NC(=C2C=C1C)S)N~    8.545
9093 CC1=CC=C(C=C1)N=NC2=C(N)NNC2=N~   12.625
9095 COC1=CC=C(C=C1)N=NC2=C(N)NNC2=N~   13.896
9096 CN1C(=O)N(C)C2=C(N=C(N2)C3=NCCN3)C1=O~   16.917
9097 CN1C=NC(=C1NC2=NC(=CC(=N2)C)C)[N+]([O-])=O~    9.842
9098 CCOC(=O)CC1=NC2=C(N)N=C(N)N=C2N=C1O~   19.606
9099 CN1C(=O)N(C)C2=C(N=C(N2)N=NSCCC(O)=O)C1=O~   18.550
9100 NC(=S)NN=CC1=CC(=CC=C1)C=NNC(N)=S~   12.666
9101 NC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=NC(=N1)N=[N+]=[N-]~   24.036
9103 CCC(=O)C1=CC=C(C)C=C1~    4.842
9104 CC=C[CH](O)C1=CC=CC=C1~    6.350
9105 O[CH](CC=C)C1=CC=CC=C1~    6.421
9106 COC1=CC=C(C=CC)C=C1~    3.592
9107 CC(C)C1=CC=C(C=O)C=C1~    4.583
9108 O[CH]1CCCC2=C1C=CC=C2~    6.730
9109 CC1=CC=C(CCC=O)C=C1~    5.096
9112 CC(C)C(=O)C1=CC=CC=C1~    4.762
9113 CCC1=CC=C(C=C1)C(C)=O~    4.842
9114 CCCC(=O)C1=CC=CC=C1~    4.762
9115 CC(=O)C1=C(C)C=C(C)C=C1~    4.924
9116 CC=CCC1=C(O)C=CC=C1~    5.896
9117 CC=CCC1=CC=C(O)C=C1~    5.896
9119 OCC1CC2=CC=CC=C2C1~    6.730
9120 C[CH](CC1=CC=CC=C1)C=O~    5.015
9122 CCOC1=CC=C(C=C)C=C1~    3.664
9123 OC1=C2CCCCC2=CC=C1~    6.275
9124 CC1=CC(=C(C=O)C(=C1)C)C~    4.742
9125 O=C1C[CH]2C[CH]1[CH]3C=CC[CH]23~    4.567
9128 CC[CH](C=O)C1=CC=CC=C1~    5.015
9129 CC1(C)CC2=CC=CC=C2O1~    3.564
9130 CC(=O)CCC1=CC=CC=C1~    5.275
9132 CC1=CC=CC(=C1)OCC=C~    3.335
9134 C[S+](C)CC(=O)C1=CC=CC=C1~    6.695
9135 CCCSC(=O)C1=CC=CC=C1~    4.662
9136 CC(=O)CCSC1=CC=CC=C1~    6.854
9137 CC(=O)C1=CC(=C(O)C(=C1)C)C~    8.907
9138 OC(=O)CCCC1=CC=CC=C1~    7.108
9139 CC1=CC=C(CCC(O)=O)C=C1~    7.188
9140 CC1=CC(=C(C(=C1)C)C(O)=O)C~    6.836
9144 CC(C)C1=CC(=O)C(=CC1=O)C~    8.277
9146 COC1=CC=C(C=C1)[CH](C)C=O~    6.367
9147 CC(=O)OC1=C(C)C=CC(=C1)C~    4.103
9149 O=COCCCC1=CC=CC=C1~    4.466
9150 CCC(=O)OC1=C(C)C=CC=C1~    4.022
9151 CCC(=O)OC1=CC=C(C)C=C1~    4.022
9152 CCC(=O)OC1=CC(=CC=C1)C~    4.022
9153 CC1(OCCO1)C2=CC=CC=C2~    5.622
9154 CCC1=CC=C(OC(C)=O)C=C1~    4.022
9155 CCC1=CC=CC(=C1)OC(C)=O~    4.022
9156 COC1=CC(=CC=C1O)C=CC~    7.573
9157 CC(=O)OCC1=CC=C(C)C=C1~    4.807
9158 CCOC(=O)CC1=CC=CC=C1~    4.726
9159 COC1=CC(=CC=C1O)CC=C~    7.318
9160 COC(=O)CCC1=CC=CC=C1~    4.726
9162 CCC(=O)C1=CC=C(OC)C=C1~    6.114
9164 CCC(=O)C1=CC(=C(O)C=C1)C~    8.824
9167 CCOC(=O)C1=CC(=CC=C1)C~    4.293
9168 CC(C)C1=CC=C(C=C1)C(O)=O~    6.676
9169 CC1=C(OC[CH]2CO2)C=CC=C1~    6.118
9172 CCOC(=O)C1=CC=C(C)C=C1~    4.293
9174 COC1=CC=C(C=CCO)C=C1~    8.028
9175 CC(=O)CCC1=CC=C(O)C=C1~    9.257
9178 CCOC(=O)C1=C(C)C=CC=C1~    4.293
9179 CC(C)(C(O)=O)C1=CC=CC=C1~    7.108
9183 CO[CH]1CC2=C(C=CC=C2)[CH]1O~    8.785
9184 CC(=O)[C](C)(O)C1=CC=CC=C1~    6.082
9185 CCCC1=CC2=C(OCO2)C=C1~    4.914
9186 C1C2OC2C3C1C4CC3C5OC45~    6.413
9187 CC1(C)C=CC=C(C=C1)C(O)=O~    6.179
9188 CC(=O)CCC1=C(O)C=CC=C1~    9.257
9189 CC(C)C1=CC=C(O)C(=O)C=C1~    4.526
9190 O=C(C[CH]1CCC=C1)OCC#C~    4.213
9192 CCC(=O)OCC1=CC=CC=C1~    4.726
9193 COC1=CC=C(CC(C)=O)C=C1~    6.625
9194 COC1=C(C=CC=C1C)C(C)=O~    6.194
9195 CC(=O)OC1=C(C)C=C(C)C=C1~    4.103
9196 CC(C)C(=O)C1=C(O)C=CC=C1~    5.646
9197 O=S1(=O)CCCCC2=CC=CC=C12~    5.971
9199 OC(=O)CCSCC1=CC=CC=C1~    9.203
9200 CC1=CC(=C(C)C=C1)[CH](S)C(O)=O~    8.719
9201 CCS(=O)(=O)C=CC1=CC=CC=C1~    5.983
9202 CC(=O)CCSC1=CC=C(O)C=C1~   10.836
9203 CCOC(=O)C1=CC=C(OC)C=C1~    5.564
9204 CC1=CC(=CC(=C1)OCC(O)=O)C~    7.690
9205 CCOC(=O)[CH](O)C1=CC=CC=C1~    5.533
9207 CCC(=O)OC1=CC=C(OC)C=C1~    5.293
9209 COC1=CC=C(C=C1)C2OCCO2~    6.975
9210 C[CH](COC1=CC=CC=C1)OC=O~    5.738
9211 CCCOC(=O)C1=C(O)C=CC=C1~    5.096
9212 CCOC1=CC=C(C=C1)C(=O)OC~    5.564
9218 CC(C)(O)C1=CC=C(C=C1)C(O)=O~   11.113
9219 CCCOC1=CC=C(C=C1)C(O)=O~    7.947
9220 CC1=C(C)C[CH]2[CH](C1)C(=O)OC2=O~    4.333
9221 CC(C)OC1=CC=C(C=C1)C(O)=O~    7.947
9222 COC1=C(O)C=CC(=C1)CC(C)=O~   10.609
9225 CCOC1=C(OC)C=C(C=O)C=C1~    7.205
9226 COC1=C(OC)C=C(C=C1)C(C)=O~    7.465
9227 CC(C)C1=CC=C(O)C(=O)C(=C1)O~    1.434
9228 COCCOC(=O)C1=CC=CC=C1~    6.268
9229 CC1=C2OC[CH](CO)OC2=CC=C1~    9.352
9231 CCCOC(=O)C1=CC=C(O)C=C1~    8.196
9233 C[CH](CC(O)=O)C1=CC=C(O)C=C1~   11.091
9234 COC1=CC=C(OC[CH]2CO2)C=C1~    7.389
9235 CC(C)C(=O)C1=CC(=C(O)C=C1)O~   12.728
9238 COC1=C(CC(O)=O)C=C(C)C=C1~    8.539
9239 CC1(CCO)OC2=CC=CC=C2O1~    9.271
9241 CC(C)(OC1=CC=CC=C1)C(O)=O~    7.529
9243 C[C](CO)(C(O)=O)C1=CC=CC=C1~   11.545
9244 OC(=O)CCCOC1=CC=CC=C1~    8.379
9245 CCCC(=O)C1=C(O)C=C(O)C=C1~    9.627
9247 COC1=CC=C(COC(C)=O)C=C1~    6.077
9248 COC1=CC(=C(C=C1)C(C)=O)OC~    7.465
9250 COC1=CC(=CC(=C1)OC)C(C)=O~    7.465
9252 CC[C]1(O[C]1(C)C2=CC=CS2)C(O)=O~    9.188
9253 COC1=C(OC)C(=C(C=C1)C(C)=O)O~    8.347
9256 CCCOC(=O)C1=C(O)C=CC(=C1)O~    9.079
9258 CCOC(=O)C1=CC=C(O)C(=C1)OC~    9.547
9259 COC1=CC=CC(=C1OC)CC(O)=O~    9.810
9260 C[CH]1OC(=O)C2=C1C(=O)CC(C)(C)O2~    7.860
9262 COC1=C(OC)C(=CC(=C1)C=O)OC~    8.556
9263 COC1=CC(=C(C(C)=O)C(=C1)O)OC~    8.347
9265 COC1=C(OC)C=C(CC(O)=O)C=C1~    9.810
9266 C=CCOC(=O)C=CC(=O)OCC=C~    6.622
9267 COC1=C(OCC(O)=O)C=CC(=C1)C~    8.959
9269 OC[CH](O)CC1=CC2=C(OCO2)C=C1~   10.788
9271 CCOC(=O)OC1=C(OC)C=CC=C1~    4.745
9272 OC(=O)C1=CCC[CH]2[CH]1CCOC2=O~    9.115
9273 COC(=O)C1=C(OC)C=C(OC)C=C1~    6.917
9274 COC1=CC=CC(=O)[C]1(O)CC(C)=O~    9.654
9275 O[C]1(CCC2=C(C1)C=CC=C2)S(O)(=O)=O~   13.496
9280 COC1=C(OC)C(=CC(=C1)C(O)=O)OC~   10.650
9282 COC(=O)C1=CC(=C(O)C(=C1)OC)OC~   10.900
9283 C=CCOC(=O)CC(=O)C(=O)OCC=C~    8.542
9284 COC1=C(O)C(=C(C(C)=O)C(=C1)O)OC~   12.330
9285 CCOC(=O)[CH](C1=CC=CC=C1)S(O)(=O)=O~   11.493
9286 COC(=O)[CH]1CC(=O)[CH](CC1=O)C(=O)OC~   12.955
9287 CC(=O)O[C]1(C)C(=O)OC(=O)[C]1(C)OC(C)=O~    8.104
9288 CCOC(=O)C1=C(O)C(=C(O1)C(=O)OCC)O~   14.371
9289 COC(=O)C(C(=O)OC)=C(C(=O)OC)C(=O)OC~   12.507
9290 CC1=CC=C(SCC=C)C=C1~    3.642
9291 C=CCSCC1=CC=CC=C1~    4.079
9292 C1CSC(SC1)C2=CC=CC=C2~    6.402
9294 CN(C)C1=CC=CC(=C1)C=C~    4.358
9295 CN(C)C1=C(C=C)C=CC=C1~    4.358
9296 CCCC=NC1=CC=CC=C1~    2.545
9298 N[CH]1CCCC2=C1C=CC=C2~    6.281
9299 NC1=C2CCCCC2=CC=C1~    5.745
9303 CC(=O)NC1=CC(=CC(=C1)C)C~    8.124
9305 C1CN(CCO1)C2=CC=CC=C2~    6.231
9306 CN(C(C)=O)C1=CC=CC(=C1)C~    6.854
9308 CCCC(=O)NC1=CC=CC=C1~    7.963
9309 CC(C)C(=O)NC1=CC=CC=C1~    7.963
9310 C[CH](NC(C)=O)C1=CC=CC=C1~    8.580
9311 CC(=O)NCCC1=CC=CC=C1~    8.580
9314 CN(C(C)=O)C1=CC=C(C)C=C1~    6.854
9315 CN(C(C)=O)C1=C(C)C=CC=C1~    6.854
9316 CCN(C(C)=O)C1=CC=CC=C1~    6.775
9317 CNCCC(=O)C1=CC=CC=C1~    8.532
9319 CCOC(=N)CC1=CC=CC=C1~    5.434
9321 CN(C)C(=O)C1=CC(=CC=C1)C~    7.928
9323 CCCNC(=O)C1=CC=CC=C1~    8.067
9325 CN(C)C(=O)C1=CC=C(C)C=C1~    7.928
9327 CCNC(=O)CC1=CC=CC=C1~    8.580
9328 C1CO[CH](CN1)C2=CC=CC=C2~    8.036
9330 CCC1=CC=C(NC(C)=O)C=C1~    8.044
9331 O=C1CCC[CH]1[N+]2=CC=CC=C2~   13.105
9332 CC(=O)NC1=C(C)C=C(C)C=C1~    8.124
9333 CCC(=O)NC1=CC=C(C)C=C1~    8.044
9334 CN(CCC1=CC=CC=C1)C=O~    8.102
9335 CC(C)C(=O)CC1=CC=NC=C1~    8.035
9336 CCC(=O)[CH](C)C1=CC=CC=N1~    8.035
9337 CC(=O)NC1=C(C)C=CC(=C1)C~    8.124
9339 CN(C[CH]1CO1)C2=CC=CC=C2~    6.730
9340 ON=C1C[CH]2C[CH]1[CH]3C=CC[CH]23~    5.370
9341 CC(C)OC(=S)NC1=CC=CC=C1~    5.959
9342 CN1C(=O)C(SC1=S)=C2CCCCC2~    6.592
9343 NCCSC(=O)SCC1=CC=CC=C1~    9.062
9345 CCCCOC(=O)C1=CC=CC=N1~    6.975
9346 CC(C)OC(=O)NC1=CC=CC=C1~    7.415
9347 CC(=O)OCCNC1=CC=CC=C1~    7.879
9348 CCOC(=O)NCC1=CC=CC=C1~    8.031
9349 OC1=CC=C(C=C1)N2CCOCC2~   10.214
9353 CCOC1=CC=CC(=C1)NC(C)=O~    9.314
9355 CC(C)C1=CC(=C(C)C=C1)[N+]([O-])=O~    4.341
9357 CCOC(=O)C(C#N)=C1CCCC1~    6.282
9359 C[CH](O)C(=O)NCC1=CC=CC=C1~    9.386
9360 CCCOC(=O)C1=C(N)C=CC=C1~    7.666
9362 CCOC(=O)CC1=CC=C(N)C=C1~    8.178
9364 CCNCC1=CC2=C(OCO2)C=C1~    8.684
9365 CC[C](N)(C(O)=O)C1=CC=CC=C1~    9.796
9366 COC1=CC(=C(NC(C)=O)C=C1)C~    9.395
9367 OC(=O)C(C#N)=C1CCCCCC1~    8.664
9368 CCCCC1=CC=C(N=C1)C(O)=O~    9.437
9369 CC1=C(C[CH](N)C(O)=O)C=CC=C1~    9.876
9370 CC1=CC=C(C[CH](N)C(O)=O)C=C1~    9.876
9371 C[CH](O)C(=O)N(C)C1=CC=CC=C1~    7.582
9372 CCCOC(=O)C1=CC=C(N)C=C1~    7.666
9373 CCOC(=O)[CH](N)C1=CC=CC=C1~    7.413
9374 C[CH](N)CC1=CC2=C(OCO2)C=C1~    8.903
9375 CC[CH](C(O)=O)C1=CC=C(N)C=C1~   10.561
9376 NC1=CC=C(CCCC(O)=O)C=C1~   10.561
9377 CCCCOC(=O)C1=CC=CN=C1~    6.975
9378 COC1=CC=C(C)C(=C1)NC(C)=O~    9.395
9379 CCCOC(=O)NC1=CC=CC=C1~    7.415
9380 CC1=CC=CC(=C1)C[CH](N)C(O)=O~    9.876
9381 CC(C)C1=C(O)C=C(C)C(=C1)N=O~    7.900
9382 CC1=CC=C(C=C1)[C](C)(N)C(O)=O~    9.876
9383 OCCNC(=O)CC1=CC=CC=C1~   13.017
9384 CNC(=O)OC1=CC(=CC(=C1)C)C~    7.408
9385 CCC1=CC=C(CCC(O)=O)N=C1~    9.947
9387 CC(=O)NC1=C(C)C=C(O)C=C1C~   12.107
9388 CCCC1=CC2=C(OCO2)C=C1N~    8.367
9389 CC(C)OC(=O)C1=CC(=CC=C1)N~    7.666
9390 CC(C)(C)C1=C(C=CC=C1)[N+]([O-])=O~    4.260
9391 CC(C)(C)C1=CC=C(C=C1)[N+]([O-])=O~    4.260
9392 C[C](N)(CC1=CC=CC=C1)C(O)=O~    9.796
9393 NCCCC1=CC2=C(OCO2)C=C1~    8.903
9396 CCOC(=O)NC1=C(C)C=CC=C1~    7.495
9397 CC(CCC1=CC=C(O)C=C1)=NO~   10.060
9399 COC1=CC=C(NCC(C)=O)C=C1~    8.479
9404 CC1=C(SC[CH](N)C(O)=O)C=CC=C1~   11.455
9406 CCCCSC1=CC(=CC=N1)C(O)=O~    9.424
9408 CC(C)OC(=O)NC1=CC=C(O)C=C1~   11.398
9410 CCOC(=O)C1=C(C)NC(=C1C)C=O~    9.627
9411 CCOC(=O)C1=C(C)C(=C(C)N1)C=O~    9.627
9412 CC[CH]([CH](O)C1=CC=CC=C1)[N+]([O-])=O~    9.536
9413 CCOC(=N)C1=CC(=C(O)C=C1)OC~   10.767
9414 CC(C)([CH](O)C1=CC=CC=C1)[N+]([O-])=O~    9.536
9415 CCOC(=O)C1=C(C)NC(=C1C=O)C~    9.627
9416 COC1=CC=C(OC(=O)N(C)C)C=C1~    8.380
9417 N[CH](COCC1=CC=CC=C1)C(O)=O~   11.851
9418 CCOC(=O)NC1=CC=C(OC)C=C1~    8.767
9419 COC1=CC=C(C[CH](N)C(O)=O)C=C1~   11.147
9421 OCCOC(=O)NCC1=CC=CC=C1~   12.467
9423 CNC(=O)OC1=C(OC)C=C(C)C=C1~    8.678
9424 CC(C)(C)C1=CC(=C(O)C=C1)[N+]([O-])=O~    4.742
9425 CC[CH](OC1=CC=C(N)C=C1)C(O)=O~   10.979
9426 CN(C)CC1=CC(=C(O)C=C1)C(O)=O~   11.110
9429 CCOC(=O)COC1=CC=C(N)C=C1~    8.599
9430 O=S(=O)(N1CCOCC1)C2=CC=CC=C2~    7.857
9431 CCOC1=CC(=CC(=N1)OCC)C(O)=O~   10.138
9433 CCOC(=O)C1=C(C)NC(=C1C)C(O)=O~   11.721
9434 COC1=C(OC)C(=CC(=C1)C(N)=O)OC~   12.339
9435 COC(=O)C1=C(C)C(=C(C)N1)C(=O)OC~    9.338
9437 CCOC(=O)C1=C(C)C(=C(C)N1)C(O)=O~   11.721
9438 CNC(=O)OC1=C(OC)C=CC=C1OC~    9.951
9439 OCCN(CCO)C1=CC(=O)C=CC1=O~   16.226
9440 CCOC(=O)CNS(=O)(=O)C1=CC=CC=C1~    7.233
9441 CC1=CC=C(C=C1)S(=O)(=O)C[CH](N)C(O)=O~   13.554
9443 CC1=CC=CC(=C1)S(=O)(=O)C[CH](N)C(O)=O~   13.554
9444 CCN(C)S(=O)(=O)C1=CC=C(C=C1)C(O)=O~   10.264
9445 C[CH](NS(=O)(=O)CC1=CC=CC=C1)C(O)=O~   10.132
9446 OC(=O)[CH](CS)NS(=O)(=O)CC1=CC=CC=C1~   11.582
9448 CCOC(=O)C1=C(N=C(C)O1)C(=O)OCC~    9.246
9449 COC1=C(OC)C(=CC(=C1)C(=O)NO)OC~   15.037
9450 OC[CH](NS(=O)(=O)CC1=CC=CC=C1)C(O)=O~   14.569
9451 COC1=C(OC)C(=C(C(=C1)CO)[N+]([O-])=O)OC~   12.750
9452 CCOC(=O)[CH]1N[CH](C(=O)OCC)C(=O)C1=O~   13.231
9453 CCNC(=S)CC1=CC=CC=C1~    5.818
9454 C1CN(CCS1)C2=CC=CC=C2~    6.272
9455 CN(C)C(=S)SCC1=CC=CC=C1~    5.025
9456 CCSC(SC)=NC1=CC=CC=C1~    6.735
9457 C[C]12CC[CH](C1)C3=C2N=C(N)N=C3~    5.570
9460 C[CH]1CC(=O)N(N1)C2=CC(=CC=C2)N~   12.963
9461 CCC(=NNC(N)=O)C1=CC=CC=C1~    9.857
9462 OCCNCC1=NC2=CC=CC=C2N1~   14.353
9463 COC1=CC=C(NC2=NCCN2)C=C1~   11.790
9464 CC1=CC=C(C=C1)C(C)=NNC(N)=O~    9.939
9465 COC1=CC=C(C=C1)C(C)=NNC(N)=S~    8.572
9466 NC(=O)NN=CCSCC1=CC=CC=C1~   11.951
9469 NNC(=O)CNC(=O)CC1=CC=CC=C1~   13.400
9470 COC1=CC=C(C=C1)C(C)=NNC(N)=O~   11.208
9471 [O-][N+](=O)C1=C(C=CC=C1)N2CCNCC2~    9.010
9472 [O-][N+](=O)C1=CC=C(C=C1)N2CCNCC2~   10.350
9473 NC(=N)N[CH](CC(O)=O)C1=CC=CC=C1~   16.388
9475 COC1=C(OC)C=C(C=C1)C=NNC(N)=S~    9.924
9476 CCOC1=CC(=CC=C1O)C=NNC(N)=S~   12.554
9478 COC1=CC(=CC(=C1)OC)C=NNC(N)=S~    9.924
9481 C[CH]1CSC(=N1)NS(=O)(=O)C2=CC=C(N)C=C2~   12.870
9482 COC1=C(OC)C=C(C=C1)C=NNC(N)=O~   12.559
9485 CC(=N)NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1~   13.374
9486 CCN(CC)C1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~    7.289
9487 OC(=O)C[CH](N(CCC#N)CCC#N)C(O)=O~   19.790
9488 CCC(C)=NNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O~    7.983
9489 [O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)NN2CCOCC2~   12.638
9490 CCOC(=O)C(C(=O)OCC)C1=NC(=NC(=N1)O)O~   18.842
9491 CC(CC1=CC=CC=C1)=NNC(N)=S~    7.221
9492 CC1=CC=C(C=C1)C(C)=NNC(N)=S~    7.301
9493 CC1=CC(=C(C=C1)C=NNC(N)=S)C~    7.382
9494 CC1=CC=C(C=NNC(N)=S)C=C1C~    7.382
9495 CSC1=C(C)C=C(C=C1)C=NC(=N)SN~   10.215
9496 CCN1N=NN(CC2=CC=CC=C2)C1=N~   10.680
9498 C1CCN(CC1)C2=C3N=CNC3=NC=N2~   11.487
9501 NC1=C2N=CN([CH]3CCC[CH]3O)C2=NC=N1~   16.125
9502 NC1=C2N=CN([CH]3CCCCO3)C2=NC=N1~   14.642
9503 NC1=C2C=NN([CH]3CCCCO3)C2=NC=N1~   14.650
9504 CNC1=C2C=NN([CH]3CCCO3)C2=NC=N1~   14.432
9505 CC(=O)NC1=CC=C(C=C1)C=NNC(=S)NN~   15.788
9507 CSCC[CH](NC1=C2N=CNC2=NC=N1)C(O)=O~   18.367
9508 CC(C)[CH](SC1=NC(=NC2=C1N=CN2)N)C(O)=O~   14.309
9509 CCC[CH](SC1=NC(=NC2=C1N=CN2)N)C(O)=O~   14.309
9511 NC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=NC=N1~   21.955
9512 NC1=NC(=C2N=CN([CH]3C[CH](O)[CH](CO)O3)C2=N1)O~   20.951
9513 NC1=NC=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=N1~   18.403
9514 NC1=NC(=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=N1)S~   17.827
9515 NC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=NC(=N1)O~   25.936
9516 NC1=NC(=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=N1)O~   22.386
9517 CCC(=O)OCNC(=O)NNC1=CC=C(C=N1)[N+]([O-])=O~   18.221
9518 CC(C)C1=CC=C(C)C=C1~    1.936
9519 CC(C)(C)C1=CC=CC=C1~    1.857
9520 CC1=C(C)C=C(C)C(=C1)C~    2.097
9521 CC1=CC(=C(C)C(=C1)C)C~    2.097
9522 CCCCC1=CC=CC=C1~    1.857
9523 CC[CH](C)C1=CC=CC=C1~    1.857
9525 CC(C)CC1=CC=CC=C1~    1.857
9526 CCCC=NNC1=CC=CC=C1~    4.924
9527 CN1CCC[CH]1C2=CC=CN=C2~    8.523
9528 CNN1CCC2=C(C1)C=CC=C2~    8.223
9530 CC(C)C1=CC=C(C=C1)C(=O)NN~   10.745
9531 CC(=O)C(C)(CCC#N)CCC#N~   10.453
9533 CC(C)C(=O)NNC1=CC=CC=C1~   10.343
9534 CN(C)CCC(=O)C1=CC=CN=C1~   11.073
9537 C[CH](CC1=CC=CC=C1)NC(N)=O~    9.943
9538 NC1=CC=C(C=C1)N2CCOCC2~    9.684
9539 CCN(CC)C(=O)C1=CC=CC=N1~   10.609
9540 CCCON=CC1=CC=CC(=N1)C~    6.536
9541 CN(C)C(=N)OCC1=CC=CC=C1~    8.983
9542 NCCC(=O)NCC1=CC=CC=C1~   12.567
9543 NCCCNC(=O)C1=CC=CC=C1~   12.055
9544 CN(C)C1=CC=C(C=C1)C(C)=NO~    8.123
9545 CN(C)C1=C(C=CC=C1)C(C)=NO~    8.123
9549 C[CH]1CCCC(C1)=C2NC(=S)NC2=O~    7.559
9550 CN(C)CCC1=C(C=CC=C1)[N+]([O-])=O~    7.812
9552 CCNCCC1=C(C=CC=C1)[N+]([O-])=O~    8.030
9553 CCN(CC)C1=C(C=CC=C1)[N+]([O-])=O~    4.886
9555 CC(C)(CNC1=CC=CC=C1)[N+]([O-])=O~    8.253
9556 CCNCCC1=CC=C(C=C1)[N+]([O-])=O~    8.030
9557 C[CH](CC1=CC2=C(OCO2)C=C1)NN~   11.281
9558 CN(C)C1=CC=C(C=C1)[CH](N)C(O)=O~   11.842
9560 CCC1=CC=C(COC(=O)NC)N=C1~   10.870
9562 CN(C)C(=O)COC1=CC=C(N)C=C1~   12.234
9563 CC(C)(C)C1=CC(=C(N)C=C1)[N+]([O-])=O~    6.373
9564 CC(C)(C)C1=C(C=C(N)C=C1)[N+]([O-])=O~    7.712
9571 CCC1([CH](C)C=C)C(=O)NC(=S)NC1=O~    8.449
9572 CC(C)C1(CC=C)C(=O)NC(=S)NC1=O~    8.449
9573 CCC1(CC(C)=C)C(=O)NC(=S)NC1=O~    8.377
9574 COC1=CC(=CC(=C1)OC)CSC(N)=N~   12.164
9575 COC1=C(OC)C=C(CSC(N)=N)C=C1~   12.164
9577 CCOC(=O)C1=C(C)C(=C(C)N1)C=NO~   11.203
9579 CCCC1(CC=C)C(=O)NC(=O)NC1=O~   12.324
9581 CC[CH](CC1=CC=CO1)C(=O)NC(N)=O~   10.693
9582 CCCNC(=O)C1=CC=C(C=C1)S(N)(=O)=O~   12.173
9584 CCOC(=O)C1=NC(=NC(=C1)OCC)SC~    7.693
9585 CCOC(=O)[C](CCC=O)(NC(C)=O)C#N~   14.983
9588 COC1=C(OC)C(=CC(=C1)C(=O)NN)OC~   14.719
9589 CCC(=O)OCNC(=O)NCC1=CC=CO1~   11.049
9590 CCOC(=O)C1=C(N(C)C(=S)N1)C(=O)OCC~    8.495
9591 N[CH](CCS(=O)(=O)NC1=CC=CC=C1)C(O)=O~   13.503
9592 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)[N+]([O-])=O~    7.848
9596 CC1=C(C)C=C(CSC(N)=N)C=C1~    9.623
9597 CN(C)C(=S)SCNC1=CC=CC=C1~    5.509
9598 CN(C)C1=CC=C(C=C1)C=NNC(N)=O~   11.903
9600 CC(C)C1=NC2=C(N1)N(C)C(=O)N(C)C2=O~   11.487
9602 CCOC1=NC(=C2C=NN(C)C2=N1)OCC~    8.670
9604 CCOC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C~   11.551
9605 CCN1C(=O)N(C)C2=C1N(C)C(=O)N(C)C2=O~   15.433
9606 C[CH](O)C1=NC2=C(N1C)C(=O)N(C)C(=O)N2C~   14.717
9607 CN1C(=O)N(C)C2=C(N=C(CCCO)N2)C1=O~   15.924
9608 CN1C(=O)N(C)C2=C(N=C(SCCO)N2C)C1=O~   16.296
9610 CN1C(=O)N(C)C2=C(N(C[CH](O)CO)C=N2)C1=O~   16.074
9611 O=C1N[CH](CCSSCC[CH]2NC(=O)NC2=O)C(=O)N1~   20.967
9612 CCN(CC)C(=O)CN1C=C(C=C1[N+]([O-])=O)[N+]([O-])=O~   14.410
9613 CN(C)C1=CC=C(C=C1)C=NNC(N)=S~    9.266
9615 CCCCSC1=C2N=C(C)NC2=NC=N1~    9.236
9616 CC(C)CCSC1=C2N=CNC2=NC=N1~    9.156
9618 CCC(C)(C)SC1=C2N=CNC2=NC=N1~    9.156
9619 NC1=C2N=C(NC2=NC=N1)N3CCCCC3~   14.939
9623 NNC1=C2N=CN([CH]3CCC[CH]3O)C2=NC=N1~   18.504
9624 CC(=O)NC1=CC=C(C=C1)C=NNC(=N)NN(O)O~   25.013
9625 N[CH]1[CH](CO)O[CH]([CH]1O)N2C=NC3=C(N)N=CN=C23~   24.504
9626 CCN(N=O)C1=NC2=C(N1C)C(=O)N(C)C(=O)N2C~   13.371
9627 NC1=NC(=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=N1)N~   21.854
9628 NNC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=NC=N1~   24.333
9630 CCO[CH](C)C1=CC=CC=C1~    3.910
9631 CC(C)(CO)C1=CC=CC=C1~    6.293
9632 CCCOC1=CC=C(C)C=C1~    3.208
9633 CC[CH](C)C1=CC=C(O)C=C1~    5.839
9636 C1C[CH](O[CH]2CCC=C2)C=C1~    2.903
9637 CCC[CH](O)C1=CC=CC=C1~    6.293
9639 C[CH](CO)C1=CC=C(C)C=C1~    6.374
9640 CC(C)C1=CC(=C(C)C=C1)O~    5.921
9641 CC(=C)[CH]1CC=C(C)C(=O)C1~    4.112
9644 CC1=CC=C(CCCO)C=C1~    6.374
9646 CC[CH](O)CC1=CC=CC=C1~    6.293
9648 CC(C)C1=CC=C(CO)C=C1~    6.374
9649 CC[CH](CO)C1=CC=CC=C1~    6.293
9650 O=C1CCCC1=C2CCCC2~    4.340
9651 CC(C)[C]12C[CH]1C(=CC2=O)C~    4.412
9652 CC(C=O)=C[CH]1CCC=CC1~    3.854
9653 CC(=O)C=C[CH]1CCC=CC1~    4.184
9654 OC1CC2CC1C3C=CCC23~    5.585
9655 CC(C)[CH](O)C1=CC=CC=C1~    6.293
9657 C[CH]1[CH]2C[CH](C=C2)[CH]1C(C)=O~    4.210
9659 CC1=CC(=O)[CH]2C[CH]1C2(C)C~    4.412
9660 CCCC1=CC=C(OC)C=C1~    3.208
9661 CCOCCC1=CC=CC=C1~    3.910
9662 CC(C)(O)CC1=CC=CC=C1~    6.293
9663 CC(C)=C1CC=C(C1)C(C)=O~    3.967
9666 C[S+](C)CCOC1=CC=CC=C1~    5.060
9667 CC1(C)[CH]2CC[C]1(C)C(=O)C2=O~    6.678
9668 CC[CH](O)C1=CC=C(OC)C=C1~    7.644
9669 OCCCCOC1=CC=CC=C1~    7.564
9672 CC(C)(C)C1=C(O)C=CC(=C1)O~    9.821
9673 COC(CC1=CC=CC=C1)OC~    5.266
9674 CC(C)(C)C1=CC(=C(O)C=C1)O~    9.821
9675 COC1=CC=C(CCCO)C=C1~    7.644
9676 CCOC1=C(OCC)C=CC=C1~    4.479
9677 CC(C)(O)C#CC#CC(C)(C)O~    7.450
9678 CCO[CH](C)OC1=CC=CC=C1~    5.182
9679 CC(=O)OC1(CCCCC1)C#C~    4.158
9680 CC1=CC(=C(C)C=C1)OCCO~    7.726
9681 CCOC(=O)[CH]1C[CH]2C[CH]1C=C2~    3.662
9682 C[CH](OCCO)C1=CC=CC=C1~    8.348
9684 CCCCCC(=O)C1=CC=CO1~    4.517
9685 CC(C)CCC(=O)C1=CC=CO1~    4.517
9687 CC(C)C1=C(O)C=C(C)C(=C1)O~    9.903
9689 C[CH](O)CCC1=CC=C(O)C=C1~   10.277
9690 CC(C)C1=C(O)C(=C(C)C=C1)O~    9.903
9691 CC(=O)OC[CH]1C[CH]2C[CH]1C=C2~    3.662
9693 CCCCS(=O)(=O)C1=CC=CC=C1~    5.535
9694 CCC[CH](CC1=CC=CS1)C(O)=O~    7.127
9695 CC1(C)[CH]2CC[C]1(C)C(=O)OC2=O~    4.421
9696 COC1=C(O)C=CC(=C1)CCCO~   11.627
9697 C[CH]1C[CH](C)O[CH](O1)C2=CC=CO2~    5.377
9699 COC1=C(CO)C=C(C)C=C1CO~    9.242
9700 C=CCOC(=O)[CH]1CCCCC1=O~    6.796
9703 C1CC2OC2C1OC3CCC4OC34~    8.112
9706 O[CH]1CCC[CH]1C2=C(O)C(=O)CC2~    5.757
9708 CC1=C(OC[CH](O)CO)C=CC=C1~    9.081
9709 CCCCOS(=O)(=O)C1=CC=CC=C1~    5.726
9711 CCOC(=O)C(=O)[CH]1CCCCC1=O~    9.192
9712 C[CH]1C=C(C)C[CH]([CH]1C(O)=O)C(O)=O~   10.870
9715 CCOC(=O)C1=C(C)OC(=O)C[CH]1C~    5.478
9716 CCOC(=O)C1=CC(=O)CC(C)(C)O1~    7.575
9718 CC(=C)C(=O)OCCOC(=O)C(C)=C~    6.423
9719 OC(=O)CC(C(O)=O)=C1CCCCC1~   11.069
9720 OC(=O)[CH]1CC(=O)OC12CCCCC2~    8.857
9721 OCCOC1=CC=C(OCCO)C=C1~   10.353
9722 CCOC(=O)C(CC#C)C(=O)OCC~    6.672
9723 COC(=O)C1=CCCC[C]1(C)C(O)=O~    8.759
9725 OC(=O)[CH]1C2CCC(CC2)[CH]1C(O)=O~   11.240
9726 OC(=O)[CH]1CCC[CH]2[CH]1CCOC2=O~    8.857
9730 CC1=CC=C(C=C1)S(=O)(=O)CCS(C)(=O)=O~    9.810
9731 CC(=O)C(SSC(C(C)=O)C(C)=O)C(C)=O~   15.604
9734 C=CCOC(=O)COCC(=O)OCC=C~    6.375
9735 CCOC(=O)[C]1(CCCC1=O)CC(O)=O~   11.921
9738 CC(=O)CC(=O)OCCOC(=O)CC(C)=O~   12.600
9740 CC1(C)O[CH]2O[CH]([CH](O)[CH]2O1)[CH]3COC(=O)O3~   14.214
9741 COC(=O)[CH]1OCO[CH]2[CH]1OCO[CH]2C(=O)OC~   12.294
9742 COC(=O)C(C(C(=O)OC)C(=O)OC)C(=O)OC~   11.503
9744 CC(C)(C)C1=CC=C(S)C=C1~    2.870
9745 CCCCSC1=CC=CC=C1~    3.435
9747 CC(C)C1=C(S)C(=CC=C1)C~    2.951
9748 CCCCC1=CC=CC(=N1)C~    4.697
9749 CN(C)CCC1=CC=CC=C1~    5.408
9751 CC(C)C1=CC(=C(C)C=C1)N~    5.388
9753 CCCCCC1=CC=NC=C1~    4.616
9755 CCCCNC1=CC=CC=C1~    5.010
9756 CCN(CC)C1=CC=CC=C1~    3.821
9757 C[CH](N(C)C)C1=CC=CC=C1~    5.408
9759 CN[CH](C)CC1=CC=CC=C1~    5.625
9760 CC1=C(C)C=C(CCN)C=C1~    6.005
9761 CC(C)(CN)C1=CC=CC=C1~    5.845
9762 CN(C)C1=C(C)C=CC=C1C~    3.983
9764 CCCCN(CC#C)CC#C~    5.390
9765 C[CH](N)[CH](C)C1=CC=CC=C1~    5.845
9766 CC(C)CCC1=CC=CC=N1~    4.616
9767 CCCCCC1=CC=CN=C1~    4.616
9768 CCCCC1=CC(=CC=N1)C~    4.697
9769 CC(C)(C)C1=C(N)C=CC=C1~    5.308
9771 CC(C)(N)CC1=CC=CC=C1~    5.845
9773 COC1=C(C[CH](C)N)C=CC=C1~    7.195
9774 CC(=C)[CH]1CCC(=CC1)C=NO~    4.642
9775 CCCC(=O)C[N+]1=CC=CC=C1~   12.750
9776 C[CH](O)C1=CC=C(C=C1)N(C)C~    8.338
9777 C[CH](O)C1=CC=CC(=C1)N(C)C~    8.338
9779 CCCCOC1=CC=C(N)C=C1~    6.578
9780 C[CH](O)CNC1=C(C)C=CC=C1~    9.527
9781 CCN(CCO)C1=CC=CC=C1~    8.258
9783 COC1=C(C=CC=C1)[CH](C)CN~    7.195
9784 OCCCNCC1=CC=CC=C1~   10.063
9787 CC(=C)C(=O)N(CC=C)CC=C~    7.115
9788 C[CH](N(C)C)C1=CC(=CC=C1)O~    9.390
9789 CCNC[CH](O)C1=CC=CC=C1~   10.063
9790 CC(C)(C)C1=CC(=C(O)C=C1)N~    9.291
9792 CN(CCO)CC1=CC=CC=C1~    9.845
9794 ON=C1C[CH]2C[CH]1[CH]3CCC[CH]23~    5.313
9796 CC(C)C1=C(O)C=C(C)C(=C1)N~    9.372
9797 COC1=CC=C(C[CH](C)N)C=C1~    7.195
9799 C[CH](O)CNCC1=CC=CC=C1~   10.063
9801 C[CH](NCCO)C1=CC=CC=C1~   10.063
9802 CC[CH](N)[CH](O)C1=CC=CC=C1~   10.281
9804 CNC[C](C)(O)C1=CC=CC=C1~   10.063
9805 CC[C](C)(O)CC1=CC=CN=C1~    9.054
9807 CN[CH](C)CC1=C(O)C=CC=C1~    9.609
9808 C[CH](CN(C)C)C(=O)C1=CC=CS1~    8.332
9809 S=C(S[CH]1CCC=C1)N2CCOCC2~    6.016
9810 CC1(C)[CH]2CC[C]1(C)C(=O)C2=NO~    7.076
9814 COC1=CC=C(CNCCO)C=C1~   11.413
9815 CCOC(=O)C1=C(C)C(=C(C)N1)C~    6.983
9816 CNCC1=C(OC)C(=CC=C1)OC~    8.328
9818 COC1=C(OC)C=C(CCN)C=C1~    8.547
9819 CCOC(=O)C[N+]1=CC(=CC=C1)C~   12.280
9820 C[N+](C)(CC(O)=O)C1=CC=CC=C1~   17.008
9821 NCCOCCOC1=CC=CC=C1~    9.170
9822 CCC(=O)ON=C(C1CC1)C2CC2~    3.390
9823 CCCCCOC(=O)N1C=CC=C1~    4.348
9825 CCCCNS(=O)(=O)C1=CC=CC=C1~    5.664
9826 CCN(CC)S(=O)(=O)C1=CC=CC=C1~    5.445
9827 CC(C)(C)C1=CC=C(C=C1)S(N)(=O)=O~    5.963
9828 CNC[CH](SC)C1=CC(=C(O)C=C1)O~   15.686
9830 CC(=O)[C](C)(CCC#N)CCC(O)=O~   12.201
9831 CCOC(=O)C1=C(C)NC(=C1C)CO~   11.419
9834 CNC[CH](OC)C1=CC(=C(O)C=C1)O~   15.646
9835 CCN(CC)C1=C(C=CC=C1)S(O)(=O)=O~   10.152
9836 CCN(CC)C1=CC(=CC=C1)S(O)(=O)=O~   10.152
9837 CN(CCO)S(=O)(=O)C1=CC=C(C)C=C1~    9.963
9838 CCCN1C[CH](C(=O)OCC)C(=O)C1=O~   12.278
9839 CCOC(=O)[CH]1CN(C(C)C)C(=O)C1=O~   12.278
9840 CC(=O)NC(=O)C1(CCCC1)OC(C)=O~    8.876
9841 CCOC(=O)CC[CH](C#N)C(=O)OCC~    9.269
9844 CCCCCSC1=CC=CC=N1~    4.606
9846 NNC1=C2CC[CH](N)CC2=CC=C1~   12.111
9847 C[CH](CC1=CC=CC=C1)NC(N)=N~   11.137
9848 OC1=C(CN2CCCCC2)C=NC(=N1)S~   12.189
9849 COC1=C(NC(=O)NN(C)C)C=CC=C1~   12.620
9851 CCC(C)=NNS(=O)(=O)C1=CC=C(N)C=C1~    9.030
9852 CC1=C(CN2CCOCC2)C(=NC(=N1)O)O~   18.883
9854 OCCN(CCO)CC(=O)C1=C(O)N=C(O)N=C1~   20.772
9856 CCN(CC)C1=C2C=NN(C)C2=NC=N1~    9.932
9857 CCCCCNC1=C2C=NNC2=NC=N1~   12.327
9858 CC[CH](C)NC1=C2C=NN(C)C2=NC=N1~   11.121
9860 CCCN(CC)C1=C2C=NNC2=NC=N1~   11.139
9861 CC(C)CNC1=C2N=CN(C)C2=NC=N1~   11.114
9863 CC(C)N(C)C1=C2C=NN(C)C2=NC=N1~    9.932
9864 NC(=N)NC(=N)NCCC1=CC=CC=C1~   16.428
9865 CCCCNC1=C2N(C)C=NC2=NC=N1~   11.114
9866 CCCCN(C)C1=C2C=NNC2=NC=N1~   11.139
9869 CCOCCNC1=C2C=NN(C)C2=NC=N1~   13.176
9870 CC[CH](C)CN1C=NC2=C1N=C(N)N=C2O~   11.764
9871 NC1=NC=NC2=C1N=CN2[CH](O[CH](CO)[CH](O)S(O)(=O)=O)[CH](O)S(O)(=O)=O~   34.232
9872 CCNC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C~   13.433
9874 CN1C=NC2=C(N=CN=C12)N(CCO)CCO~   15.799
9875 CN1C(=C(NC(=S)NCC=C)C(=O)N(C)C1=O)N~   13.793
9876 CCCCNC(=S)NNC1=CC=C(C=N1)[N+]([O-])=O~   14.015
9877 CN1C(=O)N(C)C2=C(N(C)C(=N2)NCCO)C1=O~   17.870
9878 CN(C)CCN(N=CC1=CC=C(O1)[N+]([O-])=O)C(N)=O~   15.349
9879 CCCCNC1=C2N=CNC2=NC(=N1)SC~   12.388
9881 CCCCCSC1=NC(=NC2=C1N=CN2)N~    9.057
9883 CCCCN1C=NC2=C(SC)N=C(N)N=C12~    7.851
9884 CC(C)CCN1C=NC2=C1N=C(N)N=C2S~    7.206
9888 CC1=CC[CH]2C[CH]1C2(C)C~    0.971
9890 CC1(C)[CH]2CCC(=C)[CH]1C2~    0.793
9891 CC(C)C1=CCC(=CC1)C~    0.349
9893 NC1=NC(=NC(=N1)SCCOCCSC2=NC(=NC(=N2)N)N)N~   22.536
9894 CCN(CC)C1=CC=C(N)C=C1~    7.273
9895 C[CH](NCCN)C1=CC=CC=C1~    9.614
9897 CCNCCC1=CC=C(N)C=C1~    9.078
9898 CN[CH](C)CC1=CC=C(N)C=C1~    9.078
9900 CN(C)C1=CC=C(C=C1)N(C)C~    5.866
9901 N#CCCCCCCCCC#N~    7.036
9902 CN(C)CCCC1=CC=CN=C1~    8.167
9904 CN(C)[CH](CN)C1=CC=CC=C1~    9.395
9905 N#CCCCCOCCCCC#N~    9.090
9907 CN1C=CC=C1CN2CCOCC2~    9.139
9908 C=CCC1(CNC(=O)NC1)CC=C~    8.504
9909 C[CH]([CH](O)C1=CC=CC=C1)N(C)N~   12.441
9911 C[N+](C)(C)CC1=CC=C(C=C1)[N+]([O-])=O~   16.076
9912 C[N+](C)(C)CC1=CC=CC(=C1)[N+]([O-])=O~   16.076
9913 O=C1NC(=O)C2(CCCCCCC2)N1~    8.298
9914 O=C(CCCCC(=O)N1CC1)N2CC2~   10.545
9915 C[C]1(NC(=O)NC1=O)C2CCCCC2~    8.298
9917 CCC[CH]1CCC[C]12NC(=O)NC2=O~    8.298
9918 CCCCNC(=O)NCC1=CC=CO1~    9.479
9919 CC(=C)CNC(=O)C(=O)NCC(C)=C~    9.488
9920 CCN(CC)S(=O)(=O)C1=CC=C(N)C=C1~    8.896
9923 CC[CH](C)C1(CC)C(=O)NC(=S)NC1=O~    8.321
9924 CCOC(=S)SSC(=S)NCCNC(=S)SSC(=S)OCC~   10.921
9926 CCCCCC[C]1(NC(=O)NC1=O)C=O~   11.102
9927 CCCCC[C]1(C=O)N(C)C(=O)NC1=O~   10.883
9929 CC[CH](C)C1(CC)C(=O)NC(=O)NC1=O~   12.197
9930 CCC(CC)C1(C)C(=O)NC(=O)NC1=O~   12.197
9931 CCN1C(=O)NC(=O)C(CC)(CC)C1=O~   11.979
9932 CC(C)CCC1(C)C(=O)NC(=O)NC1=O~   12.197
9934 [O-][N+](=O)C12CCCCC1(CCCC2)[N+]([O-])=O~    7.223
9935 O=C(OCCCCOC(=O)N1CC1)N2CC2~    9.449
9937 CCC[CH](C)OC(=O)C=CC(=O)NC(N)=O~   12.577
9938 CCOC(=O)[C]1(CCCNC1=O)NC(C)=O~   12.197
9939 O=C(N1CCOCC1)C(=O)N2CCOCC2~   13.759
9940 OC(=O)CCSC(=S)NCCNC(=S)SCCC(O)=O~   17.304
9941 O=C(OCCOCCOC(=O)N1CC1)N2CC2~   11.503
9942 OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O~   22.932
9943 OC(=O)CNC(=O)OCCCCOC(=O)NCC(O)=O~   17.077
9945 C1CC(CCS1)=NN=C2CCSCC2~    6.145
9946 N#CCCN1CCN(CCC#N)CC1~   14.492
9947 CC(C)(NN)C(=NN)C1=CC=CC=C1~   12.126
9948 CCN(CC)N=NC1=CC=C(C=C1)S(N)(=O)=O~   10.130
9949 C[N+](C)(C)CC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O~   21.168
9950 NS(=O)(=O)C1=CC=C(C=C1)N=NN(CCO)CCO~   16.004
9952 CN(C)C1=NC(=C2C=NN(C)C2=N1)N(C)C~    8.427
9953 CCCCNC1=NC(=C2N=CNC2=N1)NC~   12.003
9956 CCCCCNC1=NC2=C(N)N=CN=C2N1~   15.772
9960 CN(C)C1=CC=C(C=C1)C=NNC(=N)NN(O)O~   20.870
9961 CC(C)[CH]1CCC(=CC1=O)C~    4.056
9963 CC(C)=CCCC(C)=CC=O~    3.425
9965 CC1(C)[CH]2CC[C](C)(C2)C1=O~    4.155
9967 CCC1=C(C)C[CH](C)CC1=O~    3.983
9969 CC1(C)[CH]2C[CH]3O[C]3(C)[CH]1C2~    3.648
9970 C[CH]1CCC(=C(C)C)C(=O)C1~    3.983
9972 C[CH]1CC=C(C1)C(=O)C(C)C~    4.056
9973 CC(=O)C=CC1CCCCC1~    4.128
9975 CC1(C)[CH]2CC[C]1(C)C(=O)C2~    4.155
9977 C[CH](O)C=C[CH]1CCC=CC1~    4.928
9978 CC(C)C[C](C)(O)C#CC=C~    5.710
9979 CCCCC1=CC(=O)CCC1~    4.056
9980 CC(C)CC1=CC(=O)CCC1~    4.056
9981 CC(C)(C)C1=CC(=O)CCC1~    4.056
9982 CC1=C[CH](O)[CH]2C[CH]1C2(C)C~    5.157
9985 C[CH]1CC[CH]([CH](C)C=O)[CH]1C=O~    6.699
9988 CC(C)=C[CH]1[CH](C(O)=O)C1(C)C~    5.616
9989 CCOC(=O)C=C1CCCCC1~    3.507
9990 CCCCOC(=O)C=CC=CC~    3.369
9991 CC(=C)C(=O)OC1CCCCC1~    3.580
9992 CC1(C)CC(=O)C(C)(C)C(=O)C1~    7.218
9993 C[CH]1CC=CC[CH]1C2OCCO2~    4.202
9994 COC(=O)[C]1(C)CCCC(=C1)C~    3.234
9995 CC1(C)[CH]2CC[CH]([CH]1C2)C(O)=O~    5.987
9997 C[C]12CC[CH](C[CH]1O2)[C]3(C)CO3~    5.701
10000 CCOC1=CC(=O)CC(C)(C)C1~    5.283
10001 CC1=CC[CH](CC(O)=O)C1(C)C~    5.616
10006 COC(=O)[CH]1CCCCCCC1=O~    6.670
10007 CCOC(=O)[CH]1OC12CCCCC2~    5.311
10010 CCOC(=O)[CH](CC(C)=C)C(C)=O~    6.369
10013 CC(C)CC(=O)C(C(C)=O)C(C)=O~   10.280
10015 CC(=O)CC[CH]1CC(=O)OC1(C)C~    6.670
10016 CC(=O)[CH]1C[CH](CC(O)=O)C1(C)C~    9.051
10017 CCOC(=O)[C]1(C)CCCC(=O)C1~    6.670
10018 CC(=O)O[CH]1CCCC[CH]1OC(C)=O~    6.120
10019 CC1(C)[CH](CC[C]1(C)C(O)=O)C(O)=O~   10.883
10020 CCCOC(=O)C=CC(=O)OCCC~    6.367
10021 CC(=O)OC1CCC(CC1)OC(C)=O~    6.120
10022 C1CO[C]2(C1)CO[C]3(CCCO3)CO2~    9.511
10023 CCOC(=O)C(CC=C)C(=O)OCC~    5.893
10024 CCOC(=O)C1(CCC1)C(=O)OCC~    6.120
10025 C[CH](OCOCC=C)C(=O)OCC=C~    5.710
10026 CCCC(=O)OC(C)=CC(=O)OCC~    5.194
10027 CCOC(=O)C=C(C)OC(=O)C(C)C~    5.194
10030 C1CC2(CC3(C1)OCCO3)OCCO2~    8.611
10031 CC1CCC(CC1)(CC(O)=O)C(O)=O~   10.883
10033 OC(=O)CCCC1(CCCC1)C(O)=O~   10.883
10034 OC(=O)CC1(CCCCC1)CC(O)=O~   10.883
10036 CCCC(=O)O[CH]1C[CH]1C(=O)OCC~    6.120
10037 CC1(C)C(C(O)=O)C(C)(C)C1C(O)=O~   10.883
10039 CC1(C)[CH]2CC[C]1(CS(O)(=O)=O)C(=O)C2~   10.921
10040 OC(=O)CSC1(CCCCC1)SCC(O)=O~   15.074
10042 CCOC(=O)C=C(OCC)C(=O)OCC~    6.672
10043 CC(=O)C(C)(CCC(O)=O)CCC(O)=O~   13.947
10044 CCOC=C(C(=O)OCC)C(=O)OCC~    7.521
10045 CCOC(=O)C(C(=O)CC)C(=O)OCC~    9.182
10046 CCOC(=O)C(=O)C(C)(C)C(=O)OCC~    8.287
10047 COC(=O)[CH]1CCC[CH]([CH]1O)C(=O)OC~   10.556
10050 CCOC(=O)C(C(=O)OCC)C(=O)OCC~    8.633
10052 CC1(C)O[CH]2[CH]3OC[CH](O3)[CH](OS(C)(=O)=O)[CH]2O1~   13.896
10053 CC12CC3(C)SC(C)(CC(C)(S1)S2)S3~    9.472
10054 C1CC2(CCS1)SSC3(CCSCC3)S2~    9.283
10057 CCCCCCC(C)=CC#N~    2.857
10058 C[N+](C)(C)CC1=CC=CC=C1~   13.672
10060 CC1(C)[CH]2CC[C](C)(C2)C1=NO~    4.959
10061 CC1(C)[CH]2CC[C]1(C)C(C2)=NO~    4.959
10062 CCCCNC(=O)C=CC=CC~    7.222
10063 C1CCC(=CC1)N2CCOCC2~    6.078
10064 O[CH]1CCN(C2CCCCC2)C1=O~    8.048
10065 CCCC[CH]1CCC(=NC1)C(O)=O~    5.636
10066 CCCCCCC(=O)OCCC#N~    6.400
10067 CCC1(CC)C(=O)NC[CH](C)C1=O~   10.523
10069 CCCCCCN1C(=O)CCC1=O~    6.640
10070 CCCCC1(C)CC(=O)NC(=O)C1~    6.857
10071 CC(C)OC(=O)N(CC=C)CC=C~    6.237
10072 CC1(C)CN[CH](O1)[CH]2CCC=CO2~    6.544
10073 CCC[CH](C)[CH](C#N)C(=O)OCC~    6.400
10074 CCCCCCCOC(=O)CSC#N~    6.243
10075 CCCCCCOC(=O)[CH](C)SC#N~    6.243
10077 CCCCOC(=O)[CH](C)OCCC#N~    7.604
10079 NC(=O)[CH](C1CCCCCC1)C(O)=O~   12.573
10080 COC(=O)[CH]1[CH](O)C[CH]2CC[CH]1N2C~   11.593
10081 CC(=O)N[CH]1C[CH](CC(O)=O)C1(C)C~   12.356
10082 OCCN1CCOC(=O)C12CCCC2~   10.294
10083 CC1(COC2(CCCCC2)OC1)[N+]([O-])=O~    7.388
10084 CCOC(=O)C[CH](N1CC1)C(=O)OCC~    8.371
10085 CCOC(=O)C[CH]1OCCN(CC)C1=O~   10.959
10087 CCOC(=O)[CH]1CS[C](C)(N1)C(=O)OCC~    6.714
10089 CC(=O)OCCN(CCOC(C)=O)C(C)=O~   12.268
10090 C[CH](OC(C)=O)C(=O)NCCCOC(C)=O~   11.636
10091 C[CH](CNC(=O)[CH](C)OC(C)=O)OC(C)=O~   11.636
10092 CC(C)C[CH](N(CC(O)=O)CC(O)=O)C(O)=O~   15.431
10093 CCOC(=O)C(CO)(NC(C)=O)C(=O)OCC~   15.623
10096 CC1=CC(CC(C)(C)C1)=NNC(N)=O~    8.366
10097 CCC(=NNC(N)=O)C1=CCCCC1~    8.366
10098 CC(C[CH]1CCC=CC1)=NNC(N)=O~    8.438
10101 CCOC(=O)N1CCN(CCC#N)CC1~   13.393
10103 CCN(CCO)C1=CNC(=O)N(CCO)C1=O~   16.910
10104 CCCCSC1=NC(=C(C)C=N1)NC~    8.178
10105 CCCSC1=NC(=NC(=C1)SCCC)N~    4.836
10108 CC(C)NC(=S)NC1=C(N)N(C)C(=O)N(C)C1=O~   13.666
10109 CCCCC[C]1(NC(=O)NC1=O)C=NNC(N)=O~   19.144
10110 CC12CCC(CC1)C2(C)C~    0.457
10114 COC(=N)N(CC(C)=C)CC(C)=C~    7.265
10115 CCCCN=C1SSC(=O)N1CCCC~    6.161
10117 CCC(=O)N1CCN(CC1)C(=O)CC~   10.190
10118 CC(=O)NC1CCC(CC1)NC(C)=O~   10.627
10121 CCCC[C]1(CCC)NC(=O)NC1=O~    7.943
10123 OCCN(CCO)C1(CCCC1)C#N~   13.311
10124 CCCCCC[C]1(C)NC(=O)NC1=O~    7.943
10125 C[CH]1NC(=O)N[CH]1CCCCCC(O)=O~   13.500
10126 NC(=O)C[CH](NC1CCCCC1)C(O)=O~   15.043
10127 CC(=O)N(CCN1CCOCC1)C(C)=O~   12.245
10128 CC(=O)OCCN1CCN(CC1)C(C)=O~   13.305
10130 CCCC[C]1(NC(=O)NC1=O)C(OC)OC~   11.353
10132 CCOC(=O)N1CCN(CC1)C(=O)OCC~    9.093
10134 OC(=O)CCN1CCN(CC1)CCC(O)=O~   17.987
10135 N[CH](CCCCNC(=O)OCC=C)C(O)=O~   14.267
10136 CCC1(CC)C(=O)NC(=O)NC1(OC)OC~   11.353
10137 CCOC(=O)CCN(CCC(=O)OCC)N=O~   10.441
10138 OCCOC(=O)N1CCN(CC1)C(=O)OCCO~   14.967
10142 CN(CCC#N)CCN(C)CCC#N~   14.137
10143 C1CCC(CC1)CCCC2=NN=NN2~    5.542
10144 COC(=O)NN=CCCC[CH](O)C=NNC(=O)OC~   13.439
10146 COC(=O)N(CCCCCCN(N=O)C(=O)OC)N=O~   10.987
10147 CCOC(=O)N(CCCCN(C(=O)OCC)[N+]([O-])=O)[N+]([O-])=O~   10.607
10148 CCN(CC)CCSC1=NC(=NC=C1)N~    8.318
10149 C(CCSC1=NCCN1)CSC2=NCCN2~   15.074
10150 C=CCNC(=N)SCCSC(=N)NCC=C~   15.055
10152 C1CN=C(N1)N2CCN(CC2)C3=NCCN3~   18.341
10154 CC1(C)[CH]2CC[C](C)(O)[CH]1C2~    5.174
10155 O[CH]1CC[CH]2CCCC[CH]2C1~    5.174
10156 CC(C)=CCC[C](C)(O)C=C~    4.374
10157 CC12CCC(CC1)C(C)(C)O2~    3.690
10158 CCCCC[CH](CC)OC#C~    1.680
10160 CC(C)[CH]1CC[CH](C)CC1=O~    3.799
10161 CCCCCC[C](C)(O)C#C~    5.370
10162 CC(=O)CC1CCCCCC1~    3.799
10163 CC(C)[CH](O)C1=CC[CH](C)C1~    4.801
10165 CCCCCCCC=CC=O~    3.513
10166 CC(C)[CH]1[CH](C)CCCC1=O~    3.799
10167 CC(C)[CH]1C[CH](C)CC(=O)C1~    3.799
10168 CC[CH](C)[CH]1CCCCC1=O~    3.799
10169 CC[CH](C)C1CCC(=O)CC1~    3.799
10170 CC1=CC[CH](CC1)C(C)(C)O~    4.801
10171 C[CH](CC1CCCCC1)C=O~    3.539
10173 CC1(C)[CH]2CC[C]1(C)[CH](O)C2~    5.174
10175 CC(C)CC(=O)C=CC(C)C~    3.772
10176 CCCCCC=C(C)C(C)=O~    3.701
10177 CC(C)=CCCC(C)=CCO~    4.230
10180 CCCC(=O)CC(=O)CC(C)C~    6.863
10181 CC[C](C)(O)C#C[C](C)(O)CC~    7.104
10182 C[CH](CCCC(C)=C)[CH](O)C=O~    4.047
10185 CCOC(=O)C=C(C)CC(C)C~    3.152
10187 CCCC[CH](CC)C(=O)OC=C~    2.195
10188 C[CH]1OC2(CCCCC2)O[CH]1C~    4.146
10189 C[CH]1C[CH](C)OC2(CCCC2)O1~    4.146
10191 CC1(C)COC2(CCCC2)OC1~    4.146
10192 CC1CCC2(CC1)OCCCO2~    4.146
10193 OC(=O)CCCC1CCCCC1~    5.633
10194 CC=C[CH]1O[CH](C)CC(C)(C)O1~    3.845
10195 OC(=O)CCCCC1CCCC1~    5.633
10196 CC(C)[CH]1CC[C](C)(C1)C(O)=O~    5.633
10198 CC(C)[CH](O)C#C[CH](O)C(C)C~    7.104
10199 CC(C)C(OCC=C)OCC=C~    3.690
10200 CCCC[CH](CC)C=CC(O)=O~    5.606
10201 CC(C)C(=O)CC(=O)C(C)(C)C~    6.863
10202 CCOC(=O)CC1CCCCC1~    3.250
10204 CC[CH](C)CCC(=O)[CH](C)C=O~    6.602
10205 CC[C]1(C)CC(=O)[C](C)(CC)O1~    5.004
10207 CC[CH]1CCC[CH](C1)OC(C)=O~    3.250
10210 CCCCC(=O)OC1CCCC1~    3.250
10211 CC(C)CC(=O)OC1CCCC1~    3.250
10212 C[CH](CCC(O)=O)C1CCCC1~    5.633
10213 CCCC=C(CC)COC(C)=O~    2.879
10214 CCC(CC)COC(=O)C(C)=C~    3.224
10215 CCCCCCCOC(=O)C=C~    3.296
10216 CCCCCCOC(=O)C(C)=C~    3.224
10218 CCCCCC[CH]1CCC(=O)O1~    3.250
10221 CCCCCCCC(=O)OC=C~    2.195
10222 CC(=O)C(C)(C)C(C)(C)C(C)=O~    6.863
10223 CCCC[CH](C)OC(=O)C(C)=C~    3.224
10226 CC1=CC[CH](C[CH]1O)C(C)(C)O~    6.239
10228 O[CH]1CCC[CH]1S[CH]2CCC[CH]2O~    8.706
10229 CCCCOC(=S)SSC(=S)OCCCC~    6.428
10231 CCCC(=O)[CH](CC)C(=O)OCC~    6.313
10232 C[CH]1CCCC2(C1)OCC(O)CO2~    8.583
10234 CCOCCC(=O)OC1CCCC1~    5.305
10238 CC(=O)OCCCC[CH]1CCCO1~    6.205
10239 CCC(=O)OCCC[CH]1CCCO1~    6.205
10241 CC(C)[CH](CCC(C)=O)CC(O)=O~    8.695
10242 CC[CH](C)CCC(=O)[CH](C)C(O)=O~    8.695
10243 C[C](CO)(C1CCCCC1)C(O)=O~   10.070
10244 CCOC(=O)CC(=O)CC(C)(C)C~    6.313
10245 CCCCC(=O)OC[CH]1CCCO1~    6.205
10246 CCC[C]1(OC1(C)C)C(=O)OCC~    4.955
10247 CCCC[CH](C(C)=O)C(=O)OCC~    6.313
10248 CC(=O)O[CH]1CC(C)(C)OC1(C)C~    6.205
10249 CCCCOCCOC(=O)C(C)=C~    5.278
10250 CCOC[CH]1COC2(CCCC2)O1~    6.201
10251 C[CH](O)[CH]1C[CH](CC(O)=O)C1(C)C~   10.070
10252 CCOC(=O)CC1(O)CCCCC1~    7.688
10253 CCOC(=O)C(C(C)C)C(=O)OCC~    5.764
10257 CCOC(=O)CC[C]1(C)OC[CH](C)O1~    6.660
10260 CCOC(=O)CCCCC(=O)OCC~    5.764
10261 OC(=O)CCCCCCCCC(O)=O~   10.529
10262 CCC[CH](OC=O)[CH](CC)COC=O~    5.245
10263 CC(C)[CH](OC=O)C(C)(C)COC=O~    5.245
10265 C[C]1(COCCOC[C]2(C)CO2)CO1~    9.455
10266 CCCCC(C)(CC(O)=O)CC(O)=O~   10.529
10268 CCC(=O)OC[CH]1COCOC1(C)C~    6.660
10269 CCC[C]1(C)OC[CH](COC(C)=O)O1~    6.660
10271 C[CH](CC(C)(C)OC(C)=O)OC(C)=O~    5.764
10272 OC(=O)CCCCSCCCCC(O)=O~   12.623
10273 CCOC(=O)CCSCCC(=O)OCC~    7.860
10274 CCOC(=O)[CH](C)SS[CH](C)C(=O)OCC~    7.670
10275 OCC1(CO)CCCC(CO)(CO)C1=O~   12.547
10276 CCOC(=O)C(CCOC)C(=O)OCC~    7.818
10277 CCOC(=O)[CH](C)O[CH](C)C(=O)OCC~    6.119
10279 CC(=O)OCCOCCOCCOC(C)=O~    9.873
10280 CCOC(=O)CCS(=O)(=O)CCC(=O)OCC~    9.959
10281 C=CCS(=O)(=O)OCCCCOS(=O)(=O)CC=C~    9.051
10282 C[CH](O)C(=O)OCCOCCOC(=O)[CH](C)O~    6.433
10284 CC1(C)[CH]2CC[C]1(C)[CH](S)C2~    2.186
10287 CCCCCCCCCC#N~    3.530
10290 N[CH]1CCC[CH]2CCCC[CH]12~    4.724
10291 CC#CCN(C(C)C)C(C)C~    4.780
10292 CCCN(CCC)CC#CC~    4.780
10293 CC(C)C[CH](C)N=CC(C)=C~    1.385
10294 CCCC(=O)NC1CCCCC1~    7.104
10295 CC(C)C(=O)NC1CCCCC1~    7.104
10296 C1CCC(CC1)N2CCOCC2~    6.342
10297 CC(C)(C)[CH]1CCC(CC1)=NO~    4.602
10298 NC(=O)CC1CCCCCCC1~    7.322
10299 C[CH]1CCC[CH](CC1)CC(N)=O~    7.322
10300 OC[CH]1CCCN2CCCC[CH]12~    8.724
10301 CC(C)NC(=O)C1CCCCC1~    7.104
10302 CC1(C)CC(=O)C[C](C)(CN)C1~    7.788
10303 CC(=O)CCNC1CCCCC1~    7.569
10304 C[CH]1CCC(=O)[CH](C1)CN(C)C~    7.350
10305 CCC(CC)(SCC=C)C(=O)NC~    8.971
10306 CC[CH]1CC[CH](C)N(COC(S)=S)C1~    6.330
10309 C1CO[CH](C1)CNC[CH]2CCCO2~    9.516
10311 CN[CH](CC1CCCCC1)C(O)=O~    8.102
10312 CCN[CH](C1CCCCC1)C(O)=O~    8.102
10313 N[CH](CCC1CCCCC1)C(O)=O~    8.321
10314 CCN(CC)CCOC(=O)C(C)=C~    6.775
10315 CCCCCC(=O)N1CCOCC1~    8.939
10316 C[CH]1[CH](CN)CCC[CH]1OC(C)=O~    7.238
10317 CC(C)C[C]1(C)OC(C)(C)NC1=O~    7.009
10319 CC(C)COC(=O)C1(N)CCCC1~    5.939
10321 C[CH]1CCC[C](O)(CNC(C)=O)C1~   11.541
10323 CCCCOC(=O)N1CCCCC1~    6.337
10324 CCCC[CH]1CCC[C]1(N)C(O)=O~    8.321
10326 OCC1CCCC2CCCC[N+]12[O-]~   15.821
10327 CC(C)CNC[C]1(O)O[CH]1CC=C~   11.269
10328 N[CH](CCCC1CCCC1)C(O)=O~    8.321
10329 C[CH](N)[CH]1C[CH](CC(O)=O)C1(C)C~    9.620
10330 CC[C](N)(C1CCCCC1)C(O)=O~    8.321
10331 NC1(CO)COC2(CCCCC2)OC1~   12.570
10332 CCCCCC[CH](NC(C)=O)C(O)=O~   10.701
10333 CCCCC(=O)N[CH](C(C)C)C(O)=O~   10.701
10334 CCCCCOC(=O)CC[CH](N)C(O)=O~   10.833
10335 CCCCCC[CH](C[N+]([O-])=O)OC(C)=O~    6.137
10336 CC(C)COC(=O)N[CH](C(C)C)C(O)=O~   10.151
10337 OCCN(CCO)C1(CCCC1)C(O)=O~   13.757
10339 CCOC(=O)C[CH](NCCO)C(=O)OCC~   12.670
10343 CNCC1=C(C)NC(=C1CNC)C~   12.163
10344 CC(CC1CCCCC1)=NNC(N)=O~    8.382
10345 CC(=O)NCCN1CCN(CC1)C(C)=O~   13.959
10346 CCOC(=O)CNC(=O)N1CCN(C)CC1~   13.151
10347 O=C1OC(=O)C2=C1C=C3C(=O)OC(=O)C3=C2~    8.127
10348 CCCCC1CCCCC1~    0.101
10349 CN1CCC[CH]1[CH]2CCCNC2~    8.057
10350 CC(C)CN(CC#N)CC(C)C~    7.081
10352 CCCCCCCNCCC#N~    7.300
10353 NC[CH]1C2CCC(CC2)[CH]1CN~    8.712
10354 C[CH]1N[CH]2CCCC[CH]2N[CH]1C~    8.275
10355 CCN(CC)[CH]1CCCCC1=NO~    8.153
10357 CCCCCC1=NCCN1CCO~    9.674
10359 CCN(CC)C(=O)[CH]1CCCCN1~    9.355
10360 CCN(CC)C(=O)[CH]1CCCNC1~   10.656
10361 CN1C(C)(C)CC(CC1(C)C)=NO~    8.153
10362 CN(CCCC[CH](O)CN(C)C(S)=S)C(S)=S~    9.510
10363 NC(=O)CCCCCCCCC(N)=O~   10.708
10366 CCOC(=O)CCN1CCN(C)CC1~   10.352
10368 CCC[CH](C)[CH](CC)C(=O)NC(N)=O~    9.106
10369 CC[CH](CO)NC(=O)[CH]1CCCNC1~   15.310
10371 NN[CH](CCC1CCCCC1)C(O)=O~   10.699
10372 CCN(CC)CC(=O)N1CCOCC1~   11.191
10373 O=S(=O)(N1CCCCC1)N2CCCCC2~    6.102
10374 CC1CN1CCS(=O)(=O)CCN2CC2C~   12.033
10375 CN(C)COC(=S)SCCSC(=S)OCN(C)C~   13.213
10378 CCOC(=O)N1CCN(CCCO)CC1~   14.324
10381 CC(C)[CH](N)C(=O)N[CH](C(C)C)C(O)=O~   13.388
10382 NC(=O)C1(CCCC1)N(CCO)CCO~   15.447
10383 N[CH](CCCCCC[CH](N)C(O)=O)C(O)=O~   15.903
10385 CCN(CC)CCN(CC(O)=O)CC(O)=O~   15.030
10386 CC(C)CC(C)(COC(N)=O)COC(N)=O~    9.611
10387 OCCNC(=O)CCCCC(=O)NCCO~   16.145
10388 CCOC(=O)NCCCCNC(=O)OCC~    9.174
10389 COC(=O)NCCCCCCNC(=O)OC~    9.174
10390 CNC(=O)OCCCSSCCCOC(=O)NC~   11.080
10391 N[CH](CCSCCSCC[CH](N)C(O)=O)C(O)=O~   20.094
10392 OCCN(C[CH](O)[CH](O)CN(CCO)C(S)=S)C(S)=S~   13.821
10393 OCCNC(=O)OCCOCCOC(=O)NCCO~   17.102
10394 CCN(CC)C(=S)SC(=S)N(CC)CC~    4.268
10395 CCN(CC)C(=S)SSC(=S)N(CC)CC~    4.080
10396 CCCCNC(=S)SSSC(=S)NCCCC~    4.328
10397 CCCCNC(=S)SSSSC(=S)NCCCC~    4.140
10398 CCSCC[CH](NC(C)=O)C(C)=NNC(N)=S~   14.208
10399 CCNC(=O)N1CCN(CC1)C(=O)NCC~   18.879
10400 CC(C)C=NNC(=N)C(=N)NN=CC(C)C~   10.438
10401 CCC(C)(C)C(=O)C(C)(C)C~    3.444
10402 CCCCCC(=O)C(C)(C)C~    3.444
10404 CC(C)[CH]1CC[CH](C)C[CH]1O~    4.818
10405 CC[CH](C)[CH]1CCCC[CH]1O~    4.818
10406 CC[C]1(C)CC[C](C)(CC)O1~    3.335
10408 CC[CH](C)C1CCC(O)CC1~    4.818
10410 CC[C](C)(O)CCC(C)=CC~    4.246
10411 CCCCCCCC[CH]1CO1~    2.936
10412 CC(C)(C)[CH]1CCCC[CH]1O~    4.818
10413 CC(C)CC(=O)[CH](C)C(C)C~    3.444
10414 C[CH]1CCC[CH](CCO)CC1~    4.818
10417 CC(C)[CH]1[CH](C)CCC[CH]1O~    4.818
10418 CCCCC1(O)CCCCC1~    4.818
10419 CCCCCCC(=O)C(C)C~    3.444
10420 CCCC[CH](CC)COC=C~    1.380
10421 CCCCCCC(C)=CCO~    4.246
10422 CC(C)[CH]1CC[C](C)(CO)C1~    4.818
10423 C[CH]1C[CH](C)[CH](C)[CH](CO)C1~    4.818
10425 CCCCC(CC)(CC)C(O)=O~    5.277
10426 CCCC(=O)O[CH](C)CC(C)C~    2.896
10427 CCCCC(CCCC)C(O)=O~    5.277
10429 CC(C)CC(=O)OCC(C)(C)C~    2.896
10430 CC(C)(C)[CH](O)C(=O)C(C)(C)C~    4.250
10431 CCCCCC(=O)OCCCC~    2.896
10432 CCCCCCCCCC(O)=O~    5.277
10435 CC(C)CCOC(=O)CC(C)C~    2.896
10437 CCCCCCC1OCCCO1~    3.790
10439 CCCCC(=O)OCCC(C)C~    2.896
10440 CCCC[CH]([CH](C)CC)C(O)=O~    5.277
10441 CCCC[CH](CC)COC(C)=O~    2.896
10442 CCCCCCCC(=O)OCC~    2.896
10444 CCC[CH](C)C(=O)OCC(C)C~    2.896
10445 CCCC(=O)OCC(CC)CC~    2.896
10446 CCC(CC)C(=O)OCC(C)C~    2.896
10450 CCCCCCC(=O)OCCC~    2.896
10451 CC(C)CC1OCC(C)(C)CO1~    3.790
10452 CCCCC[CH]1OCC[CH](C)O1~    3.790
10453 CCCC(C)(C)COC(=O)CC~    2.896
10456 CCC(CC)CO[CH](CO)C=C~    6.644
10457 CC[C]1(C)OCC(C)(C)[CH](C)O1~    3.790
10458 CCC1(C)COC(C)(CC)OC1~    3.790
10459 CCC[CH]1OCC(C)(C)[CH](C)O1~    3.790
10460 CCCC1OCC(C)(CC)CO1~    3.790
10461 CCCCCOC(=O)CC(C)C~    2.896
10462 CCCCCCOC(=O)C(C)C~    2.896
10468 CCOC(=O)[CH](C(C)C)C(C)(C)O~    7.332
10469 CCCCCCCCOC(=O)CO~    3.701
10470 CCOC(=O)C[C](C)(O)CC(C)C~    7.332
10471 OCCCCCCCCCC(O)=O~    9.714
10472 CCC[CH](C)C(=O)OCCOCC~    4.951
10473 CCOCCOC(=O)C(CC)CC~    4.951
10476 CCCCC[C]1(C)OC[CH](CO)O1~    8.227
10477 CCOC(=O)C[C](C)(O)C(C)(C)C~    7.332
10478 CCC[CH]1OC[CH](CCCCO)O1~    8.227
10479 CC[C]1(C)OC[CH](CCCCO)O1~    8.227
10480 CCCCO[CH]1CC[CH]1S(=O)(=O)CC~    6.631
10483 CCOCCC(=O)OCC[CH](C)OC~    7.004
10484 CCOCCCOC(=O)CCOCC~    7.004
10485 OCC1(CO)CCCC(CO)(CO)C1O~   10.565
10486 CCCCCSC1CCCC1~    2.476
10487 C[CH](CS)[CH]1CC[CH](C)[CH](S)C1~    3.281
10490 C1CC[N+]2(CC1)CCCCC2~   12.553
10491 CC(C)(C)C1CCC(N)CC1~    4.369
10492 CNCCC1CCCCCC1~    4.150
10493 CC(C)[CH]1CC[CH](C)[CH](N)C1~    4.369
10495 C[CH]1CCCC[N+]12CCCC2~   12.553
10496 C1CCC[N+]2(CC1)CCCC2~   12.553
10497 CN[CH](C)CC1CCCCC1~    4.150
10499 CCCCCC(=O)N(CC)CC~    6.530
10500 CC(C)N(C(C)C)C(=O)C(C)C~    6.530
10501 CCCN(CCC)C(=O)C(C)C~    6.530
10502 CCCCCCNC(=O)CCC~    6.750
10503 OCCN1CCCCCCCC1~    8.369
10505 CCCCCC[CH](CC)C(N)=O~    6.967
10506 CCCCOCN1CCCCC1~    4.686
10508 CCCCCC(=O)NCC(C)C~    6.750
10510 CCCCCCCCCC[N+]([O-])=O~    3.268
10511 CCCCCC(=O)NCCCOC~    8.804
10512 CCCCCCCC[CH](N)C(O)=O~    7.967
10513 CCCCCCC[C](C)(N)C(O)=O~    7.967
10514 CCCCCCCCCOC(N)=O~    6.418
10517 CCCCC(N)(CCCC)C(O)=O~    7.967
10518 CCCCCCCNC(=O)OCC~    6.200
10520 CCCCN(CCCC)CC(O)=O~    7.527
10522 CCCCOC(=O)[CH](N)CC(C)C~    5.582
10523 CCCCCOC(=O)[CH](N)CCSC~    7.678
10524 CC(C)(CO)CNC(=O)C(C)(C)CO~   12.622
10525 CCOC(=O)C[N+](C)(C)CCOC(C)=O~   16.280
10526 CCCCCC1=NCCN1CCN~    9.224
10527 CCN(CC)C(=O)N1CCN(C)CC1~   11.363
10529 CC(C)CCCCC(C)C~   -0.724
10530 CCCCCCCCCC~   -0.724
10531 CCCCC[CH](C)C(C)C~   -0.724
10533 CCCCCCCC(C)C~   -0.724
10534 CC(C)(N)C1CCC(C)(N)CC1~    8.357
10535 CC(C)[CH]1CC[CH](C)C[CH]1NN~    6.747
10536 CCCCCCC(C)(C)NC(N)=O~    8.112
10537 CC1(C)CN(CCO)C(C)(C)CN1~   12.138
10538 CC(C)N1CCN(CCO)C[CH]1C~   11.921
10539 CCCCN(CCCC)C(=N)OC~    7.154
10540 CCN(CC)C[CH](O)CNCC=C~   11.910
10541 CCN(C)CCOC(=O)N(CC)CC~    9.532
10542 CCCCSCN1CCN(C)CC1~    6.907
10543 CCCCCCNC(=S)NCCC~    5.257
10544 CCCCNC(=N)C(=N)NCCCC~   10.609
10545 NNC(=O)CCCCCCCCC(=O)NN~   15.467
10547 NC(=N)SCCCCCCCCSC(N)=N~   15.237
10548 CCCCCC[CH](CSC(N)=N)SC(N)=N~   15.237
10550 CCC(O)(CC)CC(C)(C)C~    4.262
10551 CC(C)[C](C)(O)CC(C)(C)C~    4.262
10553 CC[CH](C)CC[C](C)(O)CC~    4.262
10555 CC(C)CCOCCC(C)C~    2.080
10556 CC(C)CCC[CH](C)CCO~    4.262
10557 CC(C)(C)C[CH](O)C(C)(C)C~    4.262
10558 CCCCOC(C)OCCCC~    3.434
10559 CC[C](C)(O)CC[C](C)(O)CC~    5.900
10561 CCCCCCCC(CO)CO~    5.900
10562 OCCCCCCCCCCO~    5.900
10563 CC[CH](C)CC[CH](O)[CH](C)CO~    5.900
10564 CCCCCC[C](C)(O)[CH](C)O~    5.900
10565 CCCCCCCC[CH](O)CO~    5.900
10566 CCC(O)(CC)C(O)(CC)CC~    5.900
10568 CCSCCOC(C)OCCSCC~    7.625
10570 CCOC[CH](C)C(OCC)OCC~    5.489
10571 CCOC[CH](O)COCCC(C)C~    8.572
10572 CC(C)(C)COS(=O)OCC(C)(C)C~    3.699
10573 CCCCCCCCS(=O)(=O)OCC~    4.410
10574 CCO[CH](CC(OCC)OCC)OC~    7.544
10575 CCOC(OCC)C(OCC)OCC~    7.544
10579 CCSC(SCC)[CH](O)[CH](O)[CH](O)[CH](O)CO~   14.400
10581 CCCCCCCCCCS~    1.475
10583 CC(C)CCSSCCC(C)C~    1.932
10586 CN(C)C(C)(C)CC(C)(C)C~    3.577
10587 CC(C)CCNCCC(C)C~    3.796
10589 CCC[CH](CC)CNC(C)C~    3.796
10590 CCCCN(CCO)CCCC~    8.013
10592 CCOC(=O)C[N+](CC)(CC)CC~   13.410
10593 CCN(CC)C[CH](O)[CH](COC)OC~   12.122
10594 CCN(CC)C[CH](OC)[CH](O)COC~   12.122
10595 CN(CSCCO)C[CH](O)[CH](O)[CH](O)[CH](O)CO~   14.623
10596 NCCCCCCCCCCN~    8.001
10598 C[N+](C)(C)CC#CC[N+](C)(C)C~   18.860
10599 CN(C)CCCCCCN(C)C~    7.127
10600 NCCCCCOCCCCCN~   10.056
10601 CCOC[CH](CN(CC)CC)NC~    9.400
10603 NCCCCCCN(CCO)CCO~   13.438
10604 NCCCOCCCCOCCCN~   12.110
10606 CCCCCOC[CH](O)CNCCN~   14.274
10607 OCCN(CCO)CCN(CCO)CCO~   15.873
10608 CCOCC[N+](CC)(CC)CC~   13.896
10609 CCCCCCCC[N+](C)(C)N~   14.439
10610 C[N+](C)(C)CC=NN=CC[N+](C)(C)C~   18.876
10611 C[N+](C)(C)CCOCC[N+](C)(C)C~   19.712
10612 O=C1OC(=O)C2=C1N=C3C=CC=CC3=N2~    9.474
10614 O=C1C2=C(C=CC=C2)C(=O)C(=C1N3N=N3)N4N=N4~   12.963
10615 [O-][N+](=O)C1=CC=CC(=C1)C=C(C#N)C#N~   10.266
10616 [O-][N+](=O)C1=CC(=C2C(=C1)C=CC=C2[N+]([O-])=O)[N+]([O-])=O~   10.491
10618 N#CC1=CC2=C(C=CC=C2)N=C1~    8.177
10619 N#CC(=CC=CC1=CC=CO1)C#N~    7.762
10620 OC1=CC=C(C=C1)C=C(C#N)C#N~   11.845
10621 OS(=O)(=O)C1=CC2=CC(=C(C(=C2C=C1)[N+]([O-])=O)[N+]([O-])=O)S(O)(=O)=O~   20.747
10622 [O-][N+](=O)C1=C(C=CC=C1)C=C2SC(=S)NC2=O~   11.090
10623 [O-][N+](=O)C1=CC=CC(=C1)C=C2SC(=S)NC2=O~   11.090
10627 [O-][N+](=O)C1=C2C=CC=C(C2=CC=C1)[N+]([O-])=O~    8.087
10629 [O-][N+](=O)C1=CC=C(C=C1)N2C(=O)C=CC2=O~    9.889
10630 [O-][N+](=O)C1=CC=CC(=C1)N2C(=O)C=CC2=O~    9.889
10631 OC1=C2C=CC=CC2=C(C=C1[N+]([O-])=O)[N+]([O-])=O~    8.570
10632 OC(=O)C1=C(O)C2=CC=CC(=C2N=C1)[N+]([O-])=O~   14.145
10633 [O-][N+](=O)C1=CC=C(O1)SC2=CC=C(C=C2)[N+]([O-])=O~    9.312
10634 OC1=C2C=C(C=CC2=C(C=C1[N+]([O-])=O)[N+]([O-])=O)S(O)(=O)=O~   14.900
10635 O=C1N(C2=NC=NN2)C(=O)C3=C1C=CC=C3~   10.827
10636 OC(=O)C1=CC=C(C=C1)N=NC(C#N)C#N~   15.693
10637 OC(=O)C1=C(C=CC=C1)N=NC(C#N)C#N~   15.693
10638 [O-][N+](=O)C1=CC(=C(C=C1)N2NC(=O)C=CC2=O)[N+]([O-])=O~   13.333
10639 COC(=O)C(=[N+]=[N-])C(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O~   11.479
10640 N1C=NC2=C(SC3=C4N=CNC4=NC=N3)N=CN=C12~   16.190
10641 O=C1C=CC(=O)C2=C1C=CC=C2~    8.706
10642 O=C1C=CC2=C(C=CC=C2)C1=O~    8.378
10643 O=C1C=C(C2=CC=CC=C2)C1=O~    9.011
10645 OC1=CC(=O)C2=C(C=CC=C2)C1=O~    8.613
10647 O=S1(=O)OC2=C3C(=CC=C2)C=CC=C13~    6.879
10648 O=C(C(=O)C1=CC=CO1)C2=CC=CO2~    8.114
10650 OC(=O)C=C1OC(=O)C2=C1C=CC=C2~    9.658
10651 OC1=CC=C(O)C2=C1C(=O)C=CC2=O~   10.471
10652 OC(=O)C1=CC2=C(OC1=O)C=CC=C2~   10.488
10653 OS(=O)(=O)C1=CC(=O)C2=C(C=CC=C2)C1=O~   14.947
10654 OS(=O)(=O)C1=CC(=O)C(=O)C2=C1C=CC=C2~   14.620
10655 OC(=O)C1=CC(=O)OC2=C1C=C(O)C(=C2)O~   18.453
10656 OC(=O)C1=C(C=C(C(O)=O)C(=C1)C(O)=O)C(O)=O~   21.054
10657 O=CC1=C2C=CC=CC2=NC=C1~    8.764
10658 O=CC1=NC2=C(C=CC=C2)C=C1~    8.764
10659 O=CC1=CC2=C(C=CC=C2)C=N1~    8.764
10660 O=C1NC(=S)SC1=CC2=CC=CC=C2~    8.686
10661 SC(=S)OC1=C2N=CC=CC2=CC=C1~    9.033
10664 OC1=CC=C2C=CC=CC2=C1N=O~    9.242
10667 OC1=C2C=CC=CC2=C(C=C1)N=O~    9.242
10668 OC(=O)C1=C2N=CC=CC2=CC=C1~   10.857
10669 NC1=CC(=O)C2=C(C=CC=C2)C1=O~   11.073
10671 [O-][N+](=O)C1=C2C=CC=CC2=CC=C1~    5.682
10672 C=CN1C(=O)C2=C(C=CC=C2)C1=O~    7.406
10674 NC1=CC(=O)C(=O)C2=C1C=CC=C2~   12.046
10675 OC(=O)C1=C2C=CC=NC2=CC=C1~   10.857
10676 OC1=CC=CC(=C1)C=C2SC(=S)NC2=O~   12.668
10677 OC1=C(C=CC=C1)C=C2SC(=S)NC2=O~   12.668
10678 OC1=CC=C(C=C1)C=C2SC(=S)NC2=O~   12.668
10679 CC(=O)N1C(=O)C(=O)C2=C1C=CC=C2~    8.975
10680 OC(=O)C1=C2C=CC=CC2=NC(=C1)O~   14.842
10681 OC(=O)C1=CN=C2C=CC=CC2=C1O~   11.742
10682 OC1=C(C=O)C(=C2C=CC=CC2=N1)O~   10.532
10684 O=CCN1C(=O)C2=C(C=CC=C2)C1=O~    9.384
10685 OC(=O)C1=CC=C2C=CC=NC2=C1O~   11.742
10686 OC1=CC=C2C=CC=CC2=C1[N+]([O-])=O~    6.166
10688 OC1=CC=C(C=C1)N2C(=O)C=CC2=O~   11.470
10689 OC1=CC=CC2=C(C=CC=C12)[N+]([O-])=O~    9.666
10690 OC1=C2C=CC=CC2=CC=C1[N+]([O-])=O~    6.166
10691 OC1=C(C=CC=C1)C=C2SC(=O)NC2=O~   10.963
10692 OC(=O)C1=CC=C(C=C1)N2C(=O)CSC2=S~   11.569
10695 CC(=O)NC1=C2C(=O)OC(=O)C2=CC=C1~   11.138
10696 OC(=O)CN1C(=O)C2=C(C=CC=C2)C1=O~   11.478
10698 CC1=CC(=CC2=CC=C(O2)[N+]([O-])=O)C(=O)O1~    7.071
10700 OS(=O)(=O)C1=CC2=C(C=CC=C2C=C1)[N+]([O-])=O~   12.014
10702 ON=C1C(=O)C=CC2=C1C=CC(=C2)S(O)(=O)=O~   15.620
10703 OC(=O)C=CC1=C(C=C2OCOC2=C1)[N+]([O-])=O~   13.227
10705 OC1=CC(=CC2=CC(=C(N=O)C(=C12)O)S(O)(=O)=O)S(O)(=O)=O~   25.886
10706 O=C1NC(=O)C(=CN1CC2=CC=CO2)C#N~   13.466
10707 [O-][N+](=O)C1=CC=C(C=C1)C(=O)NC2=NC=CS2~   14.465
10709 [O-][N+](=O)C1=CC=C(C=C1)N2NC(=O)C=CC2=O~   12.269
10710 NC1=CC=C(C=C1)N2C(=O)NC(=O)C(=O)C2=O~   17.303
10711 COC(=O)C1=C(SN=N1)C2=CC=CC(=C2)[N+]([O-])=O~   10.469
10712 [O-][N+](=O)C1=CC=C(C=C1)C(=O)NN2C(=O)CSC2=S~   12.360
10713 OC(=O)C1=NN(C(=O)C1)C2=CC(=CC=C2)[N+]([O-])=O~   13.400
10714 COC(=O)C(=[N+]=[N-])C(=O)C1=CC(=CC=C1)[N+]([O-])=O~    9.075
10715 COC(=O)C(=[N+]=[N-])C(=O)C1=C(C=CC=C1)[N+]([O-])=O~    9.075
10716 COC(=O)C(=[N+]=[N-])C(=O)C1=CC=C(C=C1)[N+]([O-])=O~    9.075
10717 CC1=CC(=C(C#N)C2=C(C#N)C(=N)NN12)O~   16.983
10719 [O-][N+](=O)C1=CC(=CC(=C1)C(=O)NNC(=O)CC#N)[N+]([O-])=O~   18.513
10720 N(C1=CC=CC=C1)C2=NC=NC3=NSN=C23~   11.690
10721 N1C=NC2=C(SC3=CC=CC=N3)N=CN=C12~   11.640
10722 C1=CC2=C(C=C1)C=CC=C2~    3.279
10723 C1=CC=C(N=C1)C2=NC=CC=C2~    9.149
10725 OC1=CC=C(N=N1)C2=CC=CC=C2~   10.640
10726 NC1=C2C=CC=CC2=CC=C1N=O~    8.712
10729 O=C1NC(=S)NC1=CC2=CC=CC=C2~    9.434
10730 OC1=CC(=NC(=N1)S)C2=CC=CC=C2~   10.056
10731 O=C(SC1=NC=CN1)C2=CC=CC=C2~    8.764
10732 NC1=C2C=CC=CC2=C(C=C1)[N+]([O-])=O~    9.135
10733 ON(N=O)C1=C2C=CC=CC2=CC=C1~    9.367
10734 NC1=C2C=CC=C(C2=CC=C1)[N+]([O-])=O~    9.135
10735 NC1=CC=C2C=CC=CC2=C1[N+]([O-])=O~    7.796
10737 O=C1NN(C(=O)C=C1)C2=CC=CC=C2~    9.866
10739 OC(=O)C1=CC=NN1C2=CC=CC=C2~   12.569
10740 O=C1C=CC(=O)N1CC2=CC=CC=N2~   11.833
10742 OC1=NC(=NC(=C1)O)C2=CC=CC=C2~   14.614
10743 OC1=CC(=NC(=N1)O)C2=CC=CC=C2~   14.614
10744 O=C1NC(=O)C(N1)=CC2=CC=CC=C2~   10.111
10745 OC1=C(C=CC=C1)C=C2NC(=S)NC2=O~   13.418
10747 OC1=CC=C(C=C1)C=C2NC(=S)NC2=O~   13.418
10748 O=C1NC(=S)NC(=O)C1C2=CC=CC=C2~   10.152
10749 COC1=CC(=C2N=CC=CC2=C1)[N+]([O-])=O~    9.793
10750 CC1=CC(=C2C=CC=CC2=[N+]1[O-])[N+]([O-])=O~   13.523
10751 COC(=O)C(=[N+]=[N-])C(=O)C1=CC=CC=C1~    6.672
10752 O=C1NC(=O)C(C(=O)N1)C2=CC=CC=C2~   14.028
10754 COC(=O)C1=C(C=CC=C1)C(=O)C=[N+]=[N-]~    6.239
10757 OC(=O)C1=C(COC2=CC=CC=C2)SN=N1~   11.777
10759 ON=C(C1=CC=CO1)C(=NO)C2=CC=CO2~   11.640
10760 O=C1C=CC(=O)N1CCN2C(=O)C=CC2=O~   17.658
10761 CC(=O)NC1=CC2=C(OC(=O)NC2=O)C=C1~   13.111
10763 NC1=C2C=C(C=CC2=C(C=C1)[N+]([O-])=O)S(O)(=O)=O~   15.465
10764 OC(=O)C1=NN(C(=O)C1)C2=CC=C(C=C2)S(O)(=O)=O~   17.327
10765 COC(=O)COC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O~   11.040
10766 NC1=C(C=NN1C2=CC=CC=C2)C#N~   13.339
10767 CC1=CC=CC(=C1)N=NC(C#N)C#N~   10.955
10769 CC1=C(C=CC=C1)N=NC(C#N)C#N~   10.955
10770 C1=CC=C(N=C1)N=NC2=CC=CC=N2~   10.599
10771 COC1=CC=C(C=C1)N=NC(C#N)C#N~   12.225
10772 COC1=C(C=CC=C1)N=NC(C#N)C#N~   12.225
10774 NC1=NC(=NC(=C1N=O)O)C2=CC=CC=C2~   16.064
10775 NC(=O)[CH](N=NC1=C(C=CC=C1)C(O)=O)C#N~   17.830
10776 NC(=O)NC(=O)C1=NC2=C(C=CC=C2)N=C1O~   15.830
10778 CN1C(=S)S[CH](N=NC2=CC=C(C=C2)[N+]([O-])=O)C1=O~    8.775
10779 NC1=NC=CC(=N1)S(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O~   10.585
10780 CC1=NN(C2=CC=C(C=C2)[N+]([O-])=O)C(=O)[CH]1[N+]([O-])=O~   12.693
10781 [O-][N+](=O)C1=CC(=CC(=C1)[N+]([O-])=O)C=NN2CCOC2=O~   12.889
10786 NC1=NC(=C2N=NN(C3=CC=CC=C3)C2=N1)O~   16.424
10787 [O-][N+](=O)C1=CC=C(NC(=O)NC2=NC=CN=N2)C=C1~   12.465
10789 OC1=CC2=C(C=CC=C2)C=C1~    7.262
10790 OC1=C2C=CC=CC2=CC=C1~    7.262
10791 CC(=O)C1=CSC2=C1C=CC=C2~    6.284
10793 CC1=CC2=C(OC(=O)C=C2)C=C1~    5.115
10794 OC1=CC2=CC=CC(=C2C=C1)O~   11.245
10796 OC1=CC2=C(C=CC=C2)C=C1O~   11.245
10798 O1C=CC=C1C=CC2=CC=CO2~    3.910
10799 CC1=CC2=C(C=C1)C=CC(=O)O2~    5.115
10800 CC1=CC(=O)OC2=C1C=CC=C2~    4.963
10802 CC(=O)C1=CC2=CC=CC=C2O1~    6.020
10804 OC(=O)CC1=C2C=CSC2=CC=C1~    8.629
10806 OC(=O)C=CC(=O)C1=CC=CC=C1~   10.616
10808 CC1=CC=C(C)C2=C1C(=O)OC2=O~    5.112
10809 CC1=CC2=C(C=C1C)C(=O)OC2=O~    5.112
10811 O=CC=CC1=CC2=C(OCO2)C=C1~    8.730
10812 CC1=CC(=O)C2=C(O1)C=C(O)C=C2~    9.879
10813 CC1=CC(=CC2=CC=CO2)C(=O)O1~    4.668
10814 OC1=CC=CC2=C1C(=O)CCC2=O~    8.987
10816 OS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1~    9.609
10819 OC(=O)C1=C(C=CC=C1)C(=O)OC=C~    8.333
10820 CC1=CC(=O)OC2=C1C(=CC(=C2)O)O~   12.928
10825 O[CH](C1=CC=CO1)C(=O)C2=CC=CO2~    6.910
10826 OC(=O)[CH]1[CH](OC1=O)C2=CC=CC=C2~   10.333
10827 OC(=O)C(=CC1=CC=CC=C1)C(O)=O~   13.218
10828 CC1=CC(=O)OC2=C(O)C(=CC=C12)O~   12.928
10829 OC1=CC2=C(C=C1)C=CC(=C2)S(O)(=O)=O~   13.592
10830 OC1=CC2=C(C=C1)C=C(C=C2)S(O)(=O)=O~   13.592
10831 OC1=CC=CC2=CC=CC(=C12)S(O)(=O)=O~   13.592
10832 OC1=C2C=CC=CC2=C(C=C1)S(O)(=O)=O~   13.592
10833 OC1=CC=CC2=C(C=CC=C12)S(O)(=O)=O~   13.592
10834 OC1=CC2=C(C=CC=C2C=C1)S(O)(=O)=O~   13.592
10835 OC1=CC=C2C=CC=CC2=C1S(O)(=O)=O~   13.592
10836 OC1=C(C=CC2=C1C=CC=C2)S(O)(=O)=O~   13.592
10839 OS(=O)(=O)OC1=CC2=C(C=CC=C2)C=C1~    9.533
10840 COC1=CC=C2C(=O)OC(=O)C2=C1OC~    7.654
10841 OC1=CC2=C(C=C1O)C=C(C=C2)S(O)(=O)=O~   17.575
10842 COC(=O)C1=C(O)C=CC(=C1)C(=O)C(O)=O~   12.439
10845 OS(=O)(=O)C1=CC=CC2=C(C=CC=C12)S(O)(=O)=O~   15.939
10846 OS(=O)(=O)C1=CC2=C(C=C1)C=CC(=C2)S(O)(=O)=O~   15.939
10848 OS(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)S(O)(=O)=O~   15.939
10849 OC1=CC2=C(C=C(C=C2C=C1)S(O)(=O)=O)S(O)(=O)=O~   19.924
10850 OC1=CC2=C(C=C(C=C2)S(O)(=O)=O)C=C1S(O)(=O)=O~   19.924
10852 OC1=CC(=CC2=CC=CC(=C12)S(O)(=O)=O)S(O)(=O)=O~   19.924
10853 OC1=C2C(=C(C=C1)S(O)(=O)=O)C=CC=C2S(O)(=O)=O~   19.924
10854 OC1=C2C=CC(=CC2=CC(=C1)S(O)(=O)=O)S(O)(=O)=O~   19.924
10856 OC1=C2C(=CC(=CC2=CC(=C1)S(O)(=O)=O)S(O)(=O)=O)O~   23.907
10857 OS(=O)(=O)C1=CC2=CC(=CC(=C2C=C1)S(O)(=O)=O)S(O)(=O)=O~   22.271
10858 SC1=CC2=C(C=CC=C2)C=C1~    4.292
10860 CC1=CC=C(C=C1)C2=CSSC2=S~    4.251
10863 CC1=C2C=CC=CC2=NC=C1~    6.119
10864 CC1=CC2=C(C=C1)N=CC=C2~    6.119
10865 NC1=CC2=C(C=CC=C2)C=C1~    6.730
10866 NC1=C2C=CC=CC2=CC=C1~    6.730
10867 CC1=CC2=C(C=CC=C2)C=N1~    6.119
10868 CC1=C2N=CC=CC2=CC=C1~    6.119
10870 O=C(CCC#N)C1=CC=CC=C1~    8.268
10871 NC1=C2C=CC=C(O)C2=CC=C1~   10.714
10873 CC1=C2C=CC=CC2=NC(=C1)O~   10.102
10875 CN1C(=O)C=CC2=C1C=CC=C2~    7.866
10876 OCC1=NC2=C(C=CC=C2)C=C1~   10.556
10877 OCC1=C2C=CC=CC2=NC=C1~   10.556
10879 NC1=C2C=CC=CC2=CC=C1O~   10.714
10880 NC1=C2C=C(O)C=CC2=CC=C1~   10.714
10882 NC1=CC2=C(C=CC=C2)C=C1O~   10.714
10883 NC1=CC2=C(O)C=CC=C2C=C1~   10.714
10887 CC1=C2C=C(O)C=CC2=NC=C1~   10.102
10888 CCC(=O)C1=C(C=CC=C1)C#N~    6.900
10889 CC1=CC(=C2C=CC=CC2=N1)O~   10.102
10890 CC(=O)[CH](C#N)C1=CC=CC=C1~    8.780
10891 CC(=O)C1=CNC2=C1C=CC=C2~    8.793
10892 CC1=CC=CC(=C1)N2C(=O)CSC2=S~    6.830
10894 OC(=O)[CH](CC1=CC=CC=C1)C#N~   10.613
10895 O=C1CCC(=O)N1C2=CC=CC=C2~    6.886
10896 CCN1C(=O)C2=C(C=CC=C2)C1=O~    7.526
10897 OC(=O)CC1=CNC2=C1C=CC=C2~   11.138
10898 O=C(NC1=CC=CC=C1)OCC#C~    8.322
10899 CC1=NC(=C2C=CC=CC2=C1O)O~   14.085
10900 CC(=O)OC1=CNC2=C1C=CC=C2~    7.971
10902 COC1=CC=C(C=C1)C(=O)CC#N~    9.618
10905 CC1=CC(=O)OC2=C1C=CC(=C2)N~    8.415
10906 NS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1~    7.385
10907 COC1=CC=C(C=C1)N2C(=O)CSC2=S~    8.100
10908 OC(=O)CCSC1=NC2=CC=CC=C2S1~   12.967
10911 CCOC(=O)C(=CC1=CC=CO1)C#N~    7.914
10912 ON=C(C=CC1=CC=CC=C1)C(O)=O~   10.413
10913 O=C1COC(=O)N1CC2=CC=CC=C2~    7.072
10914 COC1=CC=C2C=C(NC2=C1)C(O)=O~   11.979
10915 COC1=CC2=C(NC(=C2)C(O)=O)C=C1~   11.979
10918 OCCN1C(=O)C2=C(C=CC=C2)C1=O~   11.963
10925 NC1=CC=C2C=CC=CC2=C1S(O)(=O)=O~   13.061
10929 NC1=CC=CC2=C(C=CC=C12)S(O)(=O)=O~   13.061
10930 NC1=C2C=CC(=CC2=CC=C1)S(O)(=O)=O~   13.061
10931 NC1=C2C=C(C=CC2=CC=C1)S(O)(=O)=O~   13.061
10932 NC1=CC2=C(C=C1)C=C(C=C2)S(O)(=O)=O~   13.061
10934 NC1=C(C=CC2=C1C=CC=C2)S(O)(=O)=O~   13.061
10935 NC1=C2C=CC=CC2=CC(=C1)S(O)(=O)=O~   13.061
10936 C=CCN1C(=O)C2=C(C=CC=C2)S1(=O)=O~    8.450
10937 COC(=O)C=CC1=CC=CC(=C1)[N+]([O-])=O~    7.788
10938 COC(=O)C=CC1=CC=C(C=C1)[N+]([O-])=O~    7.788
10940 CC(=CC1=CC2=C(OCO2)C=C1)[N+]([O-])=O~    8.199
10941 CC(=O)CC(=O)C1=C(C=CC=C1)[N+]([O-])=O~   10.585
10942 CC(=O)CC(=O)C1=CC(=CC=C1)[N+]([O-])=O~   10.585
10944 ON=C([CH](O)C1=CC=CO1)C2=CC=CO2~   11.857
10945 COC1=CC=C2C(=O)NC(=O)C2=C1OC~   10.446
10946 CC(=CC1=CC=C(C=C1)[N+]([O-])=O)C(O)=O~   10.097
10948 OC(=O)C=CC(=O)NC1=CC=C(O)C=C1~   17.801
10949 NC1=C2C=C(C=C(O)C2=CC=C1)S(O)(=O)=O~   17.044
10956 NC1=C2C=CC=CC2=C(C=C1O)S(O)(=O)=O~   17.044
10957 NC1=CC2=C(O)C=C(C=C2C=C1)S(O)(=O)=O~   17.044
10958 NC1=CC2=CC(=CC(=C2C=C1)O)S(O)(=O)=O~   17.044
10960 NC1=C2C=CC(=CC2=CC=C1O)S(O)(=O)=O~   17.044
10961 COC1=C2OCC(=O)NC2=CC(=C1)C(O)=O~   14.991
10963 OC(=O)CCC(=O)C1=CC(=CC=C1)[N+]([O-])=O~   12.418
10964 CC(=O)NC1=CC(=CC(=C1)C(O)=O)C(O)=O~   17.602
10965 CCOC(=O)N1C(=O)C2=CC=CC=C2S1(=O)=O~    7.527
10966 COC(=O)CN1C(=O)C2=C(C=CC=C2)S1(=O)=O~    9.893
10967 COC(=O)C1=CC(=C(C=C1)C(=O)OC)[N+]([O-])=O~    9.055
10968 COC(=O)C1=C(C=C(C=C1)[N+]([O-])=O)C(=O)OC~    9.055
10970 COC1=CC(=CC(=C1O)[N+]([O-])=O)C=CC(O)=O~   12.003
10971 CCC(=O)OC1=C(C=C2OCOC2=C1)[N+]([O-])=O~    9.403
10972 COC1=CC2=C(C=C1OC)C(=O)O[CH]2[N+]([O-])=O~   10.593
10974 NC1=CC2=C(C=C(C=C2C=C1)S(O)(=O)=O)S(O)(=O)=O~   19.391
10976 NC1=CC2=CC(=CC(=C2C=C1)S(O)(=O)=O)S(O)(=O)=O~   19.391
10978 NC1=CC2=C(C=C(C=C2)S(O)(=O)=O)C=C1S(O)(=O)=O~   19.391
10979 NC1=C2C(=C(C=C1)S(O)(=O)=O)C=CC=C2S(O)(=O)=O~   19.391
10982 NC1=CC2=C(C=CC(=C2C=C1)S(O)(=O)=O)S(O)(=O)=O~   19.391
10983 NC1=CC(=C2C=CC=C(C2=C1)S(O)(=O)=O)S(O)(=O)=O~   19.391
10984 NC1=C2C=C(C=CC2=CC(=C1)S(O)(=O)=O)S(O)(=O)=O~   19.391
10987 NC1=C2C(=CC=CC2=C(C=C1S(O)(=O)=O)S(O)(=O)=O)O~   23.375
10991 NC1=CC2=C(O)C=C(C=C2C=C1S(O)(=O)=O)S(O)(=O)=O~   23.375
10994 COC1=C(OC)C(=C(C(O)=O)C(=C1)[N+]([O-])=O)C(O)=O~   16.521
10995 NC1=CC(=CC2=CC(=CC(=C12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O~   25.724
10996 NC1=CC2=C(C=C(C=C2C=C1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O~   25.724
10997 NC1=CC=C(C2=CC(=CC(=C12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O~   25.724
10998 NC1=CC(=CC2=C(C=C(C=C12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O~   25.724
11000 C=CCC1=NC2=CC=CC=C2S1~    6.266
11001 CC=CC1=NC2=CC=CC=C2S1~    6.521
11002 CC1=CSC(=S)N1C2=CC=CC=C2~    3.078
11004 N(C1=CC=NC=C1)C2=CC=NC=C2~   11.745
11006 CC1=C2C=CC=CC2=NC(=N1)C(N)=O~   12.889
11007 NC(=O)C1=C2C=CC=CC2=NC(=C1)N~   16.000
11009 NC1=CC=C(C=C1)C(=O)NC2=NC=CS2~   15.513
11010 NC1=CC(=O)NC(=S)N1C2=CC=CC=C2~    9.842
11012 NNC(=O)C1=CN=C2C=CC=CC2=C1O~   15.810
11013 NC(=O)C1=C(N)[N+](=C2C=CC=CC2=C1)[O-]~   21.000
11015 O=S(=O)(NC1=CC=CN=C1)C2=CC=CN=C2~   12.399
11016 NC1=CC=CC(=C1)N2N=C(CC2=O)C(O)=O~   14.449
11017 CC1=NN(C(=O)C1)C2=CC=C(C=C2)[N+]([O-])=O~    9.449
11021 CC(=O)OC1=CC(=C(OC(C)=O)C=C1)N=[N+]=[N-]~    8.190
11026 NC(=S)NN=CC1=CSC2=C1C=CC=C2~    8.742
11027 NC1=NC(=C(C(=N1)S)C2=CC=CC=C2)S~    5.398
11028 C(NC1=C2C=NNC2=NC=N1)C3=CC=CO3~   13.914
11029 NC1=NC(=NC(=C1N=O)N)C2=CC=CC=C2~   15.533
11030 C(NC1=C2N=CNC2=NC=N1)C3=CC=CO3~   13.907
11031 NC1=C2N=CNC2=NC(=N1)SCC3=CC=CO3~   14.193
11032 NC1=NC2=C(N=CN2CC3=CC=CO3)C(=N1)O~   13.352
11033 NC1=NC=NC(=C1[N+]([O-])=O)NC2=CC=CC=C2~   12.420
11034 CNC1=NC=NC(=C1[N+]([O-])=O)SC2=C3N=CNC3=NC(=N2)N~   16.099
11035 CC1=C2C=CC=CC2=CC=C1~    3.237
11038 N#CCCC1=CNC2=C1C=CC=C2~    9.269
11039 N(N=CC1=CC=CO1)C2=CC=CC=C2~    6.387
11040 CC(=O)NC1=CC2=C(C=CC=C2)N=C1~   12.103
11041 CC(=O)NC1=C2N=CC=CC2=CC=C1~   12.103
11044 CN(N=O)C1=C2C=CC=CC2=CC=C1~    6.327
11045 CN(N=O)C1=CC2=C(C=CC=C2)C=C1~    6.327
11048 OC1=NC(=NC(=C1)CC2=CC=CC=C2)S~    9.991
11052 OC1=CC=NC(=N1)SCC2=CC=CC=C2~   10.556
11057 COC(=O)C1=C2C=CC=CC2=NC(=C1)N~   11.804
11059 CC1=CC(=C2C=CC=CC2=C1N)[N+]([O-])=O~    9.092
11061 O=C1NC(=O)[C]2(CCC3=C2C=CC=C3)N1~   10.087
11062 CC(C=C1C=NC2=C1C=CC=C2)=[N+](O)[O-]~   14.485
11063 OC1=NC(=C(CC2=CC=CC=C2)C=N1)O~   14.550
11065 O=C1NC(=O)N(CC2=CC=CC=C2)C=C1~   10.812
11066 NNC(=O)C1=CC2=C(C=CC=C2)C=C1O~   12.928
11067 NC(=N)SC1=CC(=C2C=CC=CC2=C1O)O~   18.291
11068 COC1=CC=C(C=C1)C=C2NC(=S)NC2=O~   10.664
11069 CSC1=NC(=C(C(=N1)O)C2=CC=CC=C2)O~   14.561
11071 COC1=CC(=C2N=CC=C(C)C2=C1)[N+]([O-])=O~    9.752
11072 CC(=O)OC1=NC2=C(C=CC=C2)N1C(C)=O~    8.701
11073 OC(=O)CCC1=CC=C(C=C1)C(=O)C=[N+]=[N-]~    9.011
11074 O=C1N(CCCC#N)S(=O)(=O)C2=C1C=CC=C2~   11.706
11075 COC(=O)C1=C(COC2=CC=CC=C2)SN=N1~    9.271
11076 OC(=O)C1=C(COCC2=CC=CC=C2)SN=N1~   12.437
11077 O=C(NNS(=O)(=O)C1=CC=CC=C1)C2=CC=CS2~   12.211
11078 COC1=CC(=C2N=CC=CC2=C1OC)[N+]([O-])=O~   11.022
11079 O=C1C=CC(=O)N1CCCN2C(=O)C=CC2=O~   17.535
11080 OC1=NC(=NC(=C1)S(=O)(=O)CC2=CC=CC=C2)O~   16.638
11081 OC(=O)CN1C(=O)N(CC(O)=O)C2=C1C=CC=C2~   14.332
11085 N(N=CC1=CC=CN=C1)C2=CC=CC=N2~   12.152
11086 CC1=CC(=C(C)C=C1)N=NC(C#N)C#N~   10.910
11088 NC1=C(N=CC2=CC=CC=C2)C(=NC=N1)O~   14.708
11089 O=C(NC1=CC=CC=N1)NC2=CC=CC=N2~   15.721
11090 NC1=CC(=NC=N1)SCC2=CC=C(C=C2)[N+]([O-])=O~   12.428
11091 COC(=O)C1=C(C=CC=C1)N=N[CH](C#N)C(N)=O~   15.324
11092 O=C(NN=CC1=CC=CO1)NN=CC2=CC=CO2~   10.772
11093 [O-][N+](=O)C1=CC(=C(NN=CC=CC=C)C=C1)[N+]([O-])=O~    8.541
11094 OC(=O)CCC(=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C(O)=O~   17.472
11095 NC(=S)NN=CC1=C2C=CC=CC2=NC=C1~   11.361
11096 S=C(NC1=CC=CC=N1)NC2=CC=CC=N2~   13.085
11097 NC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)N~   15.503
11099 NC1=CC=C(C=C1)C2=NC(=C3N=CNC3=N2)N~   17.721
11101 NC1=NC(=C2N=CN(C3=CC=CC=C3)C2=N1)N~   15.495
11102 NC1=NC2=C(N=CN2)C(=N1)NC3=CC=CC=C3~   13.313
11104 CN(C1=CC=CN=C1)C2=C3C=NNC3=NC=N2~   14.991
11105 NC1=NC2=C(N=NN2CC3=CC=CC=C3)C(=N1)O~   13.747
11106 NC1=NC2=C(N=NN2)C(=N1)OCC3=CC=CC=C3~   11.363
11107 NC1=NC(=C(N=NC2=CC=C(C=C2)C(O)=O)C(=N1)O)N~   20.131
11108 NC1=NC2=C(N=CN2)C(=N1)SCC3=CC=CC=N3~   13.526
11110 O=C1CCC(=C1)C2=CC=CC=C2~    6.093
11111 COC1=CC2=C(C=CC=C2)C=C1~    4.507
11112 OCC1=C2C=CC=CC2=CC=C1~    7.674
11113 COC1=C2C=CC=CC2=CC=C1~    4.507
11115 CC(=O)[CH]1CC2=C(C=CC=C2)C1=O~    8.493
11117 O=C(CC1=CC=CC=C1)OCC#C~    5.510
11118 C=C1C[CH](OC1=O)C2=CC=CC=C2~    5.287
11119 O=C1OCCC1=CC2=CC=CC=C2~    5.544
11120 CCC1=CC2=C(OC1=O)C=CC=C2~    4.839
11122 CC1=CC(=C2C=CC(=O)OC2=C1)C~    5.073
11125 CC1=C(C=CC=C1)C(=O)OCC#C~    5.078
11126 CCOC(=O)C#CC1=CC=CC=C1~    5.498
11127 OC(=O)C=CC=CC1=CC=CC=C1~    7.788
11128 COC(=O)CC1=CSC2=C1C=CC=C2~    6.124
11129 CC1=CC=C(S1)S(=O)(=O)C2=CC=CC=C2~    6.827
11130 OC(=O)[CH](CC1=CC=CS1)C2=CC=CS2~    8.854
11132 OC(=O)[CH]1CC(=O)C2=C(C1)C=CC=C2~   10.327
11133 COC1=CC2=C(OC(=O)C=C2C)C=C1~    6.191
11134 CC=CC1=CC2=C(OCO2)C=C1C=O~    7.903
11136 COC1=CC=C(C=C1)C(=O)OCC#C~    6.349
11141 COC(=O)C=CC(=O)C1=CC=CC=C1~    8.111
11142 OS(=O)(=O)CC1=C2C=CC=CC2=CC=C1~   10.003
11144 OC(=O)CC(=CC1=CC=CC=C1)C(O)=O~   12.821
11145 COC1=CC(=C(C=C1)C#CC(O)=O)OC~   10.582
11146 OC(=O)C=C(CC1=CC=CC=C1)C(O)=O~   12.767
11149 CC(=CC1=CC2=C(OCO2)C=C1)C(O)=O~   10.627
11151 CC(=O)OC1=CC=C(C=CC(O)=O)C=C1~    9.807
11152 COC1=CC2=C(C=C1O)C(=CC(=O)O2)C~   10.174
11154 CC(=O)OC1=CC(=C(C=C1)C(O)=O)OC(C)=O~   10.804
11157 C(SC1=CSC=C1)C2=CC=CC=C2~    5.162
11158 CC1=CC2=C(C=C1)N=C(C)C=C2~    6.077
11159 C(N1C=CC=C1)C2=CC=CC=C2~    4.807
11160 CC1=CC2=C(C=C1)C=CC(=N2)C~    6.077
11161 CNC1=C2C=CC=CC2=CC=C1~    6.389
11162 CC1=CC=CC2=C(C)C=C(O)N=C12~   10.059
11163 COC1=CC2=C(C=C1)N=C(C)C=C2~    7.348
11164 CC1(C)O[C]1(C#N)C2=CC=CC=C2~    4.329
11165 CC1=CC(=C2C(=CC=CC2=N1)C)O~   10.059
11167 CCC(=O)[CH](C#N)C1=CC=CC=C1~    8.658
11168 COC1=CC2=C(C=CC=C2)C=C1N~    7.959
11169 COC1=CC=C2C=CC=CC2=C1N~    7.959
11170 COC1=C2C=CC=C(N)C2=CC=C1~    7.959
11171 COC1=CC2=C(N)C=CC=C2C=C1~    7.959
11172 CC1=C(C)C(=C2C=CC=CC2=N1)O~   10.059
11174 CC1=CC(=C2C=CC=CC2=C1O)N~   10.672
11175 NCC1=C2C=CC=CC2=CC=C1O~   11.207
11176 C[CH](C(C)=O)C1=NC2=CC=CC=C2S1~    9.433
11179 CCOC(=O)[CH](C#N)C1=CC=CC=C1~    8.108
11180 COC1=CC2=C(C)C=C(O)N=C2C=C1~   11.330
11181 CCCN1C(=O)C2=C(C=CC=C2)C1=O~    7.402
11182 CC(=O)OCCC1=C(C=CC=C1)C#N~    6.740
11184 COC1=CC2=C(C=C1)N(C)C(=O)C=C2~    9.096
11187 COC1=CC=C(C=C1)[CH](C#N)C(C)=O~   10.008
11189 OC(=O)[CH]1CCC(=N1)C2=CC=CC=C2~    7.345
11191 CC1=CC2=C(NC=C2CC(O)=O)C=C1~   11.096
11192 NC1=CC=C(C=C1)C=C2CCOC2=O~    8.996
11194 CC1=N[CH](CC2=CC=CC=C2)C(=O)O1~    4.963
11196 C[CH]1CC2=C(C=N1)C=C3OCOC3=C2~    6.532
11197 OC1=CC(=C(O)C=C1)[N+]2=CC=CC=C2~   21.558
11198 OC(=O)CCC1=CNC2=C1C=CC=C2~   11.015
11199 CNS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1~    7.043
11202 COC1=C(OC(C)=O)C=CC(=C1)CC#N~    8.754
11203 OC(=O)C1=C(C=CC=C1)C(=O)NCC=C~   12.893
11204 CC(=O)NC(=CC1=CC=CC=C1)C(O)=O~   12.745
11205 CCOC(=O)O[CH](C#N)C1=CC=CC=C1~    3.740
11206 OCCCN1C(=O)C2=C(C=CC=C2)C1=O~   11.839
11207 O=C(N[CH]1CCOC1=O)C2=CC=CC=C2~    9.870
11208 CCOC(=O)C=CC1=CC=CC(=C1)[N+]([O-])=O~    7.664
11209 CCOC(=O)C=CC1=CC=C(C=C1)[N+]([O-])=O~    7.664
11210 COC1=CC2=C(C=C1OC)C(=O)OC(=N2)C~    7.917
11216 OC(=O)C[CH](NC(=O)C1=CC=CC=C1)C(O)=O~   17.148
11217 CC(=O)NC1=CC(=C(C=C1)C(O)=O)OC(C)=O~   14.827
11218 CC(=O)OC(OC(C)=O)C1=C(C=CC=C1)[N+]([O-])=O~    9.876
11220 S1C=CC=C1C=C[N+]2=CC=CC=C2~   11.664
11221 NC(=N)NC1=C2C=CC=CC2=CC=C1~   11.900
11222 NC(=N)NC1=CC2=C(C=CC=C2)C=C1~   11.900
11223 CC1=NC(=CN1)C(=O)NC2=CC=CC=C2~   12.027
11224 CC1=NN(C2=CC=CC=C2)C(=C1N=O)C~    9.767
11225 CCOC(=O)C(=NNC1=CC=CC=C1)C#N~    6.056
11227 CC1=CC(=C2C=C(C=CC2=N1)C(=O)NN)O~   18.866
11232 NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2~   12.967
11233 CN1C=NC(=C1SCC2=CC=CC=C2)[N+]([O-])=O~    9.128
11235 COC1=C(O)C=CC(=C1)C=NNC(=O)CC#N~   17.210
11236 NC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=CO2~   10.492
11237 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(O)N=C(O)N=C2~   17.821
11238 COC(=O)[CH](N=NC1=CC=C(C=C1)[N+]([O-])=O)C(C)=O~   11.132
11239 NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=N2)S(O)(=O)=O~   19.298
11240 NC1=CC(=NC=N1)SCC2=CC=CC=C2~   10.025
11241 NC1=NC=CC(=N1)SCC2=CC=CC=C2~    6.475
11242 CC(=NNC(N)=S)C1=CSC2=C1C=CC=C2~    8.620
11243 NC1=NC(=C(C=C1)N=NC2=CC=CC=C2)N~   14.620
11244 CN1N=CC2=C1N=CN=C2NCC3=CC=CO3~   12.585
11245 CC1=NC2=C(C=NN2)C(=N1)NCC3=CC=CO3~   13.870
11246 CC1=NNC2=C(NCC3=CC=CO3)N=CN=C12~   13.870
11247 CN1C=NC2=C1N=CN=C2NCC3=CC=CO3~   12.577
11250 NNC(=S)NN=CC1=CC=C2C=CC=CC2=N1~   13.740
11251 NNC(=S)NN=CC1=C2C=CC=CC2=NC=C1~   13.740
11253 CC1=C2CC=CC2=C(C)C=C1~    2.714
11254 CC[CH]1C=CC2=C1C=CC=C2~    2.553
11256 C=CC[N+]1=C2C=CC=CC2=NC=C1~   11.098
11257 C(CC1=CC=CC=N1)N2C=CC=C2~    7.567
11259 CN(N)C1=C2C=CC=CC2=CC=C1~    7.799
11262 NC(=O)CCN1C=CC2=C1C=CC=C2~   11.419
11266 C1C[CH](OC=C1)C=NC2=CC=CC=N2~    6.821
11267 S=C=NC1=CC=C(C=C1)N2CCOCC2~    7.070
11268 CC[C]1(SC(=N)NC1=O)C2=CC=CC=C2~   12.431
11269 O=C1CCN(CC2=CC=CC=C2)C(=S)N1~   10.057
11271 N[CH](CC1=CNC2=C1C=CC=C2)C(O)=O~   13.703
11272 O[CH]1CCC=NN1C(=O)C2=CC=CC=C2~   11.133
11273 COC1=CC(=C2N=CC=CC2=C1OC)N~   12.070
11274 CC(=C)C(=O)NC(=O)NC1=CC=CC=C1~   10.308
11275 CCC1=C(C)NC2=C1C=C(C=C2)[N+]([O-])=O~    8.248
11276 CC[C]1(NC(=O)NC1=O)C2=CC=CC=C2~    9.652
11277 O[CH](CNC(=O)C1=CC=CC=C1)CC#N~   15.886
11278 O=C1CCN(CC2=CC=CC=C2)C(=O)N1~   10.733
11279 O=C1CC[CH](N1)C(=O)NC2=CC=CC=C2~   10.419
11280 CC(C)(OC(=O)NC1=CC=CC=C1)C#N~    6.979
11281 CCOC(=O)CSC1=NC2=CC=CC=C2N1~   10.471
11282 OC(=O)C1=CC(=CC=C1)NC(=S)NCC=C~   11.296
11283 COC1=CC2=NN=CC(=C2C=C1OC)SC~   10.544
11285 O=C1N[CH](CSCC2=CC=CC=C2)C(=O)N1~   11.747
11286 S=C(NCC1=CC=CO1)NCC2=CC=CO2~    8.306
11287 CC(=O)C(C)=NOC(=O)NC1=CC=CC=C1~    9.194
11289 CCCCOC1=NC2=C(S1)C=C(C=C2)[N+]([O-])=O~    9.690
11290 CC(=O)C1=CC=C(NC(=O)CSC(N)=O)C=C1~   12.728
11291 [O-][N+](=O)C1=CC=C(C=C1)C(=O)N2CCOCC2~   12.539
11292 [O-][N+](=O)C1=CC=CC(=C1)C(=O)N2CCOCC2~   12.539
11293 NC(=O)C[CH](NC(=O)C1=CC=CC=C1)C(O)=O~   15.636
11294 OC(=O)CCC(=NNC1=CC=CC=C1)C(O)=O~   14.004
11295 CC1=NN(C(=O)C1)C2=C(C)C=CC(=C2)S(O)(=O)=O~   13.333
11296 NC(=O)SCC(=O)NC1=CC=C(CC(O)=O)C=C1~   15.074
11297 CCOC(=O)C(CC1=CC=C(C=C1)[N+]([O-])=O)=NO~    9.928
11298 CCCC(=O)NC1=CC(=CC(=C1)[N+]([O-])=O)C(O)=O~   15.063
11299 CC(=O)N[CH](CO)C(=O)C1=CC=C(C=C1)[N+]([O-])=O~   16.903
11300 COC(=O)C1=CC=C(O)C(=C1)NC(=O)CSC(N)=O~   16.162
11301 CC(C)(C)OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O~    8.900
11304 CC(C)(C)C1=C(C=C(C=C1[N+]([O-])=O)C(O)=O)[N+]([O-])=O~   11.361
11306 OC(=O)CC[CH](NS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(O)=O~   17.148
11307 C(SCC1=CNC=N1)C2=CC=CC=C2~    8.447
11309 SC(=S)N(CCC#N)CC1=CC=CC=C1~    7.762
11312 CC1=CC=C(C=C1)N2N=CC(=C2N)C(N)=O~   17.668
11313 OC1=C2N=CN([CH]3CCCC=C3)C2=NC=N1~   12.152
11314 CC1=CC=C(NC2=CC(=NC(=N2)N)O)C=C1~   13.087
11315 CC1=C(NC2=NC(=NC(=C2)O)N)C=CC=C1~   13.087
11319 CC1=NN(C(=C1N=O)C)C2=CC=C(C=C2)S(N)(=O)=O~   13.873
11320 [O-][N+](=O)C1=CC(=C(NN=C2CCCC2)C=C1)[N+]([O-])=O~    8.623
11322 COC1=C(NS(=O)(=O)C2=C(N=CN2C)[N+]([O-])=O)C=CC=C1~   12.092
11324 SC1=C2N=CN([CH]3CCCC=C3)C2=NC=N1~    7.593
11325 NC1=CC(=NC(=N1)N)SCC2=CC=CC=C2~    9.928
11326 CC1=C(NC2=NC(=NC(=C2)S)N)C=CC=C1~    8.527
11327 CSC1=NC(=CC(=N1)C2=CC=CC=C2)NN~   12.426
11328 CC1=CC=C(NC2=CC(=NC(=N2)N)S)C=C1~    8.527
11329 CC1=NC(=C(N=NC2=CC=CC=C2)C(=N1)N)N~   14.959
11330 CC1=CC=C(NC2=C(N=O)C(=NC(=N2)N)N)C=C1~   14.536
11333 CCN1C(=NC(=C1SC2=NC(=NC3=C2N=CN3)N)[N+]([O-])=O)C~   14.314
11334 [O-][N+](=O)C1=CC=C(NNCNNC2=CC=C(C=N2)[N+]([O-])=O)N=C1~   22.457
11335 CC1=CC=C(C)C2=C1CCC2=O~    5.236
11336 O=C(C1CCC1)C2=CC=CC=C2~    4.996
11337 CCC(=O)C=CC1=CC=CC=C1~    5.810
11339 CC(=O)[CH]1C[CH]1C2=CC=CC=C2~    5.507
11340 CCC(C=O)=CC1=CC=CC=C1~    5.478
11341 CC(=O)C(C)=CC1=CC=CC=C1~    5.738
11342 C=CCSC(=S)OCC1=CC=CC=C1~    6.204
11343 CCC(=O)CC(=O)C1=CC=CC=C1~    8.057
11345 CCOC(=O)C=CC1=CC=CC=C1~    5.260
11347 C(CC1=CC=CO1)CC2=CC=CO2~    3.075
11348 CC1=CC=CC(=C1)C(=O)OCC=C~    4.298
11349 OC(=O)CC1=CC2=C(CCC2)C=C1~    7.502
11350 CC[CH]1CC2=C(OC1=O)C=CC=C2~    4.255
11351 CC1=CC2=C(OC(=O)CC2)C=C1C~    4.416
11352 CCC1=CC2=C(OC(=O)CC2)C=C1~    4.335
11353 CC(=O)OC1=CC2=C(CCC2)C=C1~    4.335
11354 COC(=O)C=C(C)C1=CC=CC=C1~    5.188
11355 CC(=C)C(=O)OCC1=CC=CC=C1~    4.932
11356 COC1=CC=C(C=C1)C=C(C)C=O~    6.827
11358 COC1=CC2=C(C[CH](C)C2=O)C=C1~    6.426
11359 CC(=O)C(C)=CC1=CC=C(O)C=C1~    9.719
11361 COC1=CC=C(C=CC(C)=O)C=C1~    7.160
11362 CC(=O)C(C(C)=O)C1=CC=CC=C1~    8.570
11365 CCC(=CC1=CC=CC=C1)C(O)=O~    7.570
11366 CC(=O)OC1=C(CC=C)C=CC=C1~    4.027
11367 CC1=CC=C(C=C1)C(=O)OCC=C~    4.298
11369 OC(=O)C1=C2CCCCC2=CC=C1~    6.987
11370 CC(=O)C1=CC=C(OCC=C)C=C1~    6.118
11371 CC(=O)OCC=CC1=CC=CC=C1~    4.987
11374 CC1=C(C(=CC(=C1)O)C)C(=O)C=C~    9.183
11377 O=C([CH]1COCCO1)C2=CC=CC=C2~    8.254
11378 CC(=O)CC(=O)OCC1=CC=CC=C1~    8.021
11380 CCOC(=O)CC(=O)C1=CC=CC=C1~    7.509
11381 COC(=O)C1=C(OCC=C)C=CC=C1~    5.569
11382 O[CH](C(=O)OCC=C)C1=CC=CC=C1~    5.538
11383 O[CH](CC=C)C1=CC2=C(OCO2)C=C1~    9.357
11385 OC(=O)CCCC(=O)C1=CC=CC=C1~    9.889
11386 COC1=CC(=CC(=C1O)C=CC)C=O~   10.178
11388 C[CH](CC1=CC2=C(OCO2)C=C1)C=O~    7.951
11389 COC1=CC=C(C=C1)C(=O)OCC=C~    5.569
11390 COC(=O)C=CC1=CC=C(OC)C=C1~    6.611
11393 COC(=O)CCC(=O)C1=CC=CC=C1~    7.509
11394 C[CH](OC(=O)C1=CC=CC=C1)C(C)=O~    6.660
11396 CC(=C)COC1=CC2=C(OCO2)C=C1~    6.118
11397 CC1(C)O[CH](C(=O)O1)C2=CC=CC=C2~    6.163
11398 COC1=C(OC)C=C(C=C1)[CH](O)C#C~    9.780
11399 CCOC(=O)C=COC1=CC=CC=C1~    5.375
11400 CCC(=O)C1=CC=C(OC(C)=O)C=C1~    6.804
11401 C[C]12[CH]3CC[CH](C=C3)[CH]1C(=O)OC2=O~    4.710
11405 COC1=C(O)C=CC(=C1)C=CC(C)=O~   11.143
11408 CCCC(=O)OC1=C(C=CC=C1)C(O)=O~    8.638
11411 CC(=O)OC(OC(C)=O)C1=CC=CC=C1~    7.472
11412 COC1=CC=C(C=C1)C(=O)CCC(O)=O~   11.242
11414 CC(=O)OC1=CC=C(CCC(O)=O)C=C1~    9.151
11416 CCC(C(O)=O)(C(O)=O)C1=CC=CC=C1~   12.237
11418 COC(=O)COC1=CC=C(C=C1)C(C)=O~    8.010
11419 COC(=O)CSC1=C(C=CC=C1)C(=O)OC~    8.618
11420 CC(=O)CC(=O)CS(=O)(=O)C1=CC=CC=C1~   12.248
11423 COC1=C(OC)C(=C2COC(=O)C2=C1)OC~    8.580
11426 COC1=CC(=CC(=C1OC(C)=O)OC)C(O)=O~   11.340
11428 CC1=CC(=C(OCC(O)=O)C=C1)OCC(O)=O~   13.239
11429 CC[N+]1=C2C=CC=CC2=CC=C1~   10.710
11432 CC1=CC2=[N+](C)C=CC=C2C=C1~   10.790
11433 CC1=CC2=C(C=CC=C2)C=[N+]1C~   10.790
11434 CN(CC#C)CC1=CC=CC=C1~    6.192
11437 CCC(N)=CC(=O)C1=CC=CC=C1~    8.636
11438 CC1=CC2=C(CCCC2=NO)C=C1~    6.471
11440 CC1=CC2=C(NC(=O)CC2)C=C1C~    8.437
11444 O=C1CCN(CC1)C2=CC=CC=C2~    7.472
11446 CC(C)C1=CC(=C(C)C=C1O)SC#N~    8.708
11447 O[CH](C[N+]1=CC=CC=C1)C2=CC=CS2~   15.495
11448 CN(C)C(=S)SCC(=O)C1=CC=CC=C1~    7.807
11450 O=C(N1CCOCC1)C2=CC=CC=C2~   10.136
11451 CN(C=CC(C)=O)C1=CC=C(O)C=C1~   11.180
11452 CC(=O)CC(=O)NC1=C(C)C=CC=C1~   11.339
11454 OC1=C(C=CC=C1)C(=O)N2CCCC2~    8.963
11456 O=C1CN(CCO1)CC2=CC=CC=C2~    7.210
11457 CC1(C)O[C]1(C(N)=O)C2=CC=CC=C2~   10.735
11458 OC(=O)[CH]1CC[CH](N1)C2=CC=CC=C2~    9.810
11460 CNC(=O)C=CC1=CC=C(OC)C=C1~   10.465
11462 C[CH](C=C(C)[N+]([O-])=O)C1=CC=CC=C1~    4.690
11463 CN(C(=O)CC(C)=O)C1=CC=CC=C1~   10.070
11464 CNC(=O)OCC=CC1=CC=CC=C1~    8.292
11465 N[C]1(CCC2=C(C1)C=CC=C2)C(O)=O~   10.109
11467 C[CH]1[CH](OC(=O)N1C)C2=CC=CC=C2~    8.045
11469 N#CCCOCCOC1=CC=CC=C1~    8.564
11471 CCOC(=O)C=CC1=CC=C(N)C=C1~    8.712
11473 OCCNC(=O)C=CC1=CC=CC=C1~   13.551
11474 CC(=O)CC(=O)NC1=CC=C(C)C=C1~   11.339
11476 COC(=N)CCOC(=O)C1=CC=CC=C1~    7.668
11478 CC(=O)NCCOC(=O)C1=CC=CC=C1~   10.812
11482 CC[CH](NC(=O)C1=CC=CC=C1)C(O)=O~   11.896
11483 C[CH](OC(C)=O)C(=O)NC1=CC=CC=C1~    9.860
11484 COC(=O)CCC(=O)NC1=CC=CC=C1~   10.710
11485 CCC(=CC1=CC=C(OC)C=C1)[N+]([O-])=O~    6.369
11486 OCCN1C(=O)[CH]2[CH]3C[CH](C=C3)[CH]2C1=O~   11.721
11487 COC1=CC=C(NC(=O)CC(C)=O)C=C1~   12.609
11489 CC(=O)NC1=CC(=C(C(O)=O)C(=C1)C)C~   12.821
11490 CCOC(=O)CNC(=O)C1=CC=CC=C1~    9.513
11491 CCC(=NOCC1=CC=CC=C1)C(O)=O~    7.524
11493 COC(=O)C1=C(C)C=CC(=C1)NC(C)=O~   10.358
11494 CCOC(=O)C1=CC=C(NC(C)=O)C=C1~   10.277
11495 CC(=O)NC1=CC=C(CCC(O)=O)C=C1~   13.173
11496 CC(CCC1=CC2=C(OCO2)C=C1)=NO~    9.012
11498 COC(=O)CCNC(=O)C1=CC=CC=C1~   10.812
11499 CCOC(=O)NC1=CC=C(C=C1)C(C)=O~   10.277
11500 CCNC(=O)[CH]1COC2=C(O1)C=CC=C2~   10.585
11501 CC(=O)NC1=CC=C2OC(C)(C)OC2=C1~   10.900
11502 CNC(=O)[CH](C(=O)OC)C1=CC=CC=C1~   11.326
11503 CCNC(=O)[CH](C(O)=O)C1=CC=CC=C1~   13.708
11505 CCOC(=N)COC(=O)C1=CC=CC=C1~    7.668
11506 CCCC(=O)NC1=C(C=CC=C1)C(O)=O~   12.660
11508 CN(CC(O)=O)C(=O)CC1=CC=CC=C1~   12.190
11510 CCOC(=O)C(=O)NCC1=CC=CC=C1~   10.431
11511 N[CH](CSCC(=O)C1=CC=CC=C1)C(O)=O~   14.674
11512 CC(=O)N[CH](CSC1=CC=CC=C1)C(O)=O~   13.987
11513 C[CH](NC(=O)SCC1=CC=CC=C1)C(O)=O~   10.569
11514 COC1=CC=C(NC(=S)SCCC(O)=O)C=C1~   11.107
11516 OC(=O)CN(CC(O)=O)CC1=CC=CC=C1~   13.188
11518 COC1=CC=C(C=O)C(=C1OC)NC(C)=O~   13.269
11519 CC(=O)N[CH](CC1=CC=C(O)C=C1)C(O)=O~   16.391
11520 C[C](N)(COC(=O)C1=CC=CC=C1)C(O)=O~   12.030
11521 COC1=CC=C(C=C(C)[N+]([O-])=O)C=C1OC~    7.719
11525 COC1=CC=C(C=C1)[CH](CC(N)=O)C(O)=O~   15.278
11526 C[CH](NC(=O)OCC1=CC=CC=C1)C(O)=O~   11.860
11527 COC(OC)C=CC1=CC=C(C=C1)[N+]([O-])=O~    7.932
11532 CC(=O)NC1=CC(=CC=C1)OCCC(O)=O~   14.444
11533 OCC[CH](NC(=O)C1=CC=CC=C1)C(O)=O~   16.333
11534 C[CH]1O[CH](O[CH]1C)C2=CC=CC(=C2)[N+]([O-])=O~    7.903
11535 C[CH]1CCO[CH](O1)C2=CC=CC(=C2)[N+]([O-])=O~    7.903
11536 OC[CH](O)[CH](O)[CH](O)C1=NC2=CC=CC=C2S1~   14.762
11537 OC[CH](NC(=O)OCC1=CC=CC=C1)C(O)=O~   16.297
11538 COC1=C(OC)C(=CC(=C1)C=C[N+]([O-])=O)OC~    9.143
11539 CCOC(=O)C1=C(OC)C(=CC(=C1)[N+]([O-])=O)OC~    9.197
11542 COC(=O)C1=CC(=C(OC)C(=C1[N+]([O-])=O)OC)OC~   10.547
11543 CC[CH]1CN=C(S1)C2=CC=CC=C2~    5.488
11544 C[CH]1CCN=C(S1)C2=CC=CC=C2~    5.488
11545 CC(CN)(C1=CC=CS1)C2=CC=CS2~    7.590
11546 NC(=N)NC1=C2CC=CCC2=CC=C1~   10.971
11547 CN1N(C2=CC=CC=C2)C(=O)C(=C1C)N~   11.545
11548 CCN1C(=NC2=C(C=CC=C2N)C1=O)C~   12.301
11549 CC1=NC2=C(C=CC=C2)N1CCC(N)=O~   11.759
11550 CC(C=CC1=CC=CC=C1)=NNC(N)=O~   10.118
11551 NNC(=O)CCC1=CNC2=C1C=CC=C2~   15.085
11552 CC1=NC(=C2C=CC=CC2=N1)NCCO~   13.928
11554 NC(=S)NN=CC1=CC=C(OCC=C)C=C1~    8.577
11555 O=C(CSC1=NCCN1)NC2=CC=CC=C2~   15.365
11556 CCOC(=O)C(CCC#N)(CCC#N)C#N~   13.287
11557 OC[CH](O)CNC1=C2C=CC=CC2=NC=N1~   15.283
11558 CCC1(CC)[CH](C#N)C(=O)NC(=O)[CH]1C#N~   13.745
11561 O=C1NC(=O)C(=CN1C2CCCCC2)C#N~   12.113
11564 CC1=NOC(=C1C)NS(=O)(=O)C2=CC=C(N)C=C2~   11.975
11565 CC[CH]1SC(=NC1=O)NS(=O)(=O)C2=CC=C(N)C=C2~   15.701
11566 [O-][N+](=O)C1=CC(=C(C=C1)N2CCCCC2)[N+]([O-])=O~    7.521
11567 CCCC1=NC(=C(C#N)C(=C1[N+]([O-])=O)COC)O~   15.153
11568 CC(CCC(O)=O)=NNC1=CC=C(C=C1)[N+]([O-])=O~   12.456
11569 O=C1N[CH](CCS(=O)(=O)NC2=CC=CC=C2)C(=O)N1~   13.359
11570 [O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)NN=C2CCCC2~    8.215
11573 CC1=C(C=C(C(=C1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O)[N+]([O-])=O~    9.025
11576 OCCN(CCO)C(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O~   18.407
11577 CC(=C)C1=CC=C(C=C1)C=NNC(N)=S~    7.562
11581 NN(CC1=CC=CC=C1)C2=C(N)C=NC=N2~   14.599
11582 CC1=C(NC2=NC(=NC(=C2)N)N)C=CC=C1~   12.556
11583 CN(C1=CC=CC=C1)C2=CC(=NC(=N2)N)N~   11.287
11584 CC1=CC=C(NC2=NC(=NC(=C2)N)N)C=C1~   12.556
11585 CC1=CC(=CC=C1)NC2=NC(=NC(=C2)N)N~   12.556
11586 CC1=NN=C(C)N1NC(=O)NC2=CC=CC=C2~   12.833
11587 COC1=CC=C(NC2=NC(=NC(=C2)N)N)C=C1~   13.827
11588 CCC(=O)NC1=C2N(C=NC2=NC=N1)C(=O)CC~   15.745
11592 CC[CH]1CCC2=C1C=CC=C2~    2.169
11594 C([N+]1=CC=CC=C1)[N+]2=CC=CC=C2~   12.513
11595 CCCCN1C=NC2=C1C=CC=C2~    4.738
11597 CCN(CC)C1=CC=C(C=C1)C#N~    5.836
11599 CC1=C(C)[N+](=C2C=CC=CC2=N1)C~   11.131
11602 CN1CCN=C1CC2=CC=CC=C2~    6.943
11604 C[N+](C)([O-])CC1=CNC2=C1C=CC=C2~   16.410
11606 NC(=O)N[CH](C1CC1)C2=CC=CC=C2~   10.176
11608 C[CH]1[CH](NC(=O)N1C)C2=CC=CC=C2~    9.740
11610 OCCN1CCSC1=NC2=CC=CC=C2~   12.860
11612 CCC(C)=NOC(=O)NC1=CC=CC=C1~    7.076
11614 CC(=O)NC1=CC=C(C)C(=C1)NC(C)=O~   10.907
11616 [O-][N+](=O)C1=C(C=CC=C1)N2CCCCC2~    5.117
11618 O=C(NN1CCOCC1)C2=CC=CC=C2~   12.514
11619 CCCC1=CC(=C(C#N)C(=N1)O)COC~   12.750
11620 CC(CCC(O)=O)=NNC1=CC=CC=C1~   10.053
11621 CC(=O)NC1=C(NC(C)=O)C=C(C)C=C1~   10.907
11622 C(NCC1=CC=CO1)NCC2=CC=CO2~    8.113
11623 C[CH](CC1=CC=CC=C1)[N+]2=NOC(=C2)O~   14.137
11624 COC(=O)NN=C(C)CC1=CC=CC=C1~    7.821
11626 CN1COC2=C(C1)C=C(NC(C)=O)C=C2~   11.879
11627 CC1=C(C)C=C(NC(=O)CSC(N)=O)C=C1~    9.903
11628 CC1=CC=CC(=C1NC(=O)CSC(N)=O)C~    9.903
11629 CCN(CC)C1=NS(=O)(=O)C2=C1C=CC=C2~    7.062
11631 CSC(=O)NC1=CC=C(C)C(=C1)NC(=O)SC~    8.967
11632 NC(=O)C[CH](NCC1=CC=CC=C1)C(O)=O~   16.396
11633 CCN(CC)C(=O)C1=CC=C(C=C1)[N+]([O-])=O~   10.130
11635 COC(=O)C(CCC#N)(CCC#N)C(C)=O~   13.200
11636 CN(C)CCC(=O)C1=CC(=CC=C1)[N+]([O-])=O~   10.593
11637 CN(C)CCC(=O)C1=CC=C(C=C1)[N+]([O-])=O~   10.593
11638 CCOC(=O)N(N=O)[CH](C)C1=CC=CC=C1~    8.815
11639 CCOC1=CC=C(CC(=O)NC(N)=O)C=C1~   12.165
11640 CC[CH](OC1=CC=CC=C1)C(=O)NC(N)=O~   11.235
11641 NCC(=O)NC1=CC=C(CCC(O)=O)C=C1~   15.860
11642 CCOC(=O)[CH](C)NC(=O)C1=CC=NC=C1~   12.273
11643 CC[CH](C(=O)NC(=O)NO)C1=CC=CC=C1~   12.682
11644 C[CH](CC1=CC=CC=C1)N(CC(O)=O)N=O~   10.363
11645 COC(=O)[CH]1CCC2=NC(=NC(=C2C1)O)SC~   12.110
11646 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CC2~   10.075
11647 COC1=C(C=C(CSC(=S)N(C)C)C=C1)[N+]([O-])=O~    8.658
11648 CC1=C(C=C(C=C1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O~    6.622
11649 CNC(=O)OCN1C(=O)[CH]2CC=CC[CH]2C1=O~   11.801
11650 COC(=O)NC1=CC=C(C)C(=C1)NC(=O)OC~    9.810
11651 CC(C)(O)CNC(=O)C1=CC(=CC=C1)[N+]([O-])=O~   14.785
11653 CC(C)(COC(=O)NC1=CC=CC=C1)[N+]([O-])=O~   10.535
11654 OC(=O)C1=CN(C2CCCCC2)C(=O)NC1=O~   14.790
11655 CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC2~   11.316
11656 COC1=CC(=C(OC)C=C1)NC(=O)CSC(N)=O~   12.444
11657 CCC(C)(C)C1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O~    7.024
11658 CCC[CH](C)C1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O~    7.024
11659 CCC[CH](C)C1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O~    7.024
11660 COC1=C(OC)C(=CC(=C1)C(=O)NC(N)=O)OC~   14.355
11661 OCCN(CCO)C(=O)C1=CC=C(C=C1)[N+]([O-])=O~   16.003
11662 COC1=C(NC(=O)OC(C)C)C=C(C=C1)[N+]([O-])=O~   11.047
11663 CC(=O)N[CH](CO)[CH](O)C1=CC=C(C=C1)[N+]([O-])=O~   16.735
11664 OC(=O)C=CC(=O)NCCCNC(=O)C=CC(O)=O~   21.857
11665 NC1=CC=C(C=C1)S(=O)(=O)N[CH](CCC(O)=O)C(O)=O~   18.196
11666 CCN(CC)C1=CC=C(SC#N)C=C1~    6.611
11667 C[CH]1CN(CC2=CC=CC=C2)C(=N)S1~    9.258
11668 C[CH]1[CH](SC(=N)N1C)C2=CC=CC=C2~    9.258
11671 O[CH]1CCCC[CH]1N2C=NC3=CN=CN=C23~   12.550
11672 C1CN(CCO1)CN2N=NC3=CC=CC=C23~   10.975
11673 CC(=O)NC1=CC(=C(C=C1)C=NNC(N)=S)C~   13.366
11676 CSC1=C2N=CN([CH]3CCCCO3)C2=NC=N1~   11.137
11679 COC1=C2N=CN([CH]3CCCCO3)C2=NC=N1~   11.460
11680 OC[CH]1CCC[CH](O1)N2C=NC3=C(S)N=CN=C23~   14.928
11681 CN1C(=O)N(C)C2=C(N(C)C(=N2)OCC=C)C1=O~   11.556
11682 CN1C(=O)N(C)C2=C(N(C)C(=O)N2CC=C)C1=O~   15.438
11684 COC1=C(NS(=O)(=O)C2=C(N)N=CN2C)C=CC=C1~   13.140
11685 CCC(CC)=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~    8.268
11686 CCCC(C)=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~    8.268
11687 CN1C(=O)N(C)C2=C(N(C)C(=N2)CCC(O)=O)C1=O~   15.409
11688 CN1C(=O)N(C)C2=C(N=C(CCCC(O)=O)N2)C1=O~   16.614
11692 CSC1=NC=NC2=C1N=CN2[CH]3O[CH](CO)[CH](O)[CH]3O~   18.447
11693 OCCCCC=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~   12.706
11695 COC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=NC=N1~   18.770
11696 OCCNCCNC(=O)C1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O~   18.341
11697 SC1=C2N=CN(C3CCCCC3)C2=NC=N1~    7.538
11698 NC(=N)SCCCSC1=NC2=CC=CC=C2N1~   15.208
11700 COC1=CC=C(C=C1)N=NC2=C(N)N(C)NC2=N~   13.554
11701 CC(=O)C1=C(C)C=C(C)C(=C1)C~    4.879
11703 COC1=C2CCCCC2=CC=C1~    3.520
11705 CC(C)C1=CC=C(C=C1)C(C)=O~    4.719
11706 CC1=C2CCCCC2=CC=C1O~    6.233
11707 C[CH](CC1=CC=C(C)C=C1)C=O~    4.971
11708 C[C](O)(CC=C)C1=CC=CC=C1~    6.298
11710 CC(=C)CC1=C(O)C=CC(=C1)C~    5.854
11712 CC(C)(CC=O)C1=CC=CC=C1~    4.893
11713 CC[CH](C(C)=O)C1=CC=CC=C1~    5.152
11714 CCOC(=S)SCCC1=CC=CC=C1~    6.077
11715 CC(C)(CC(O)=O)C1=CC=CC=C1~    6.987
11717 CCOC1=C(O)C=C(C=CC)C=C1~    7.451
11718 CCCC(=O)C1=CC=C(OC)C=C1~    5.991
11719 COC1=C(C=CC=C1)[CH](O)CC=C~    7.650
11720 CC[CH](CC1=CC=CC=C1)OC=O~    4.344
11721 C[CH]1O[CH](O[CH]1C)C2=CC=CC=C2~    5.499
11724 CCCOC(=O)CC1=CC=CC=C1~    4.604
11726 CC1(CC2=CC=CC=C2)OCCO1~    5.499
11727 CCCC(=O)OCC1=CC=CC=C1~    4.604
11728 CCCCOC(=O)C1=CC=CC=C1~    4.090
11730 CC1=CC(=C(CC(O)=O)C(=C1)C)C~    7.226
11731 CCCOC(=O)C1=CC(=CC=C1)C~    4.171
11732 CC(C)OC(=O)C1=CC(=CC=C1)C~    4.171
11733 C[C]12CC=CC[CH]1[CH](O)C(=O)C=C2~    5.223
11736 COC1=C(C[CH](C)C=O)C=CC=C1~    6.243
11739 CC(C)[CH](C(O)=O)C1=CC=CC=C1~    6.987
11741 CCCOC(=O)C1=CC=C(C)C=C1~    4.171
11742 CC(C)OC(=O)C1=CC=C(C)C=C1~    4.171
11744 C[CH]1CO[CH](CC2=CC=CC=C2)O1~    5.499
11745 C[CH]1CO[CH](O1)C2=CC=C(C)C=C2~    5.578
11746 COC1=CC=C(C=C1)C=C(C)CO~    7.833
11748 CCC1(OCCO1)C2=CC=CC=C2~    5.499
11750 C[CH](CC1=CC=CC=C1)OC(C)=O~    4.604
11751 CC(=O)CCOCC1=CC=CC=C1~    7.206
11752 C[CH](C1OCCO1)C2=CC=CC=C2~    5.499
11753 CC(C)(C)OC(=O)C1=CC=CC=C1~    4.090
11755 COC1=C(OC)C=C(C=CC)C=C1~    4.818
11756 CC(C)C(=O)OCC1=CC=CC=C1~    4.604
11757 C[CH]1CCO[CH](O1)C2=CC=CC=C2~    5.499
11758 CC(C)(C)C1=CC=C(C=C1)C(O)=O~    6.553
11759 CCOC(=O)CC1=CC=C(C)C=C1~    4.684
11761 CCCCC(=O)C1=CC=C(O)C=C1~    8.622
11762 CCCCC(=O)C1=C(O)C=CC=C1~    5.521
11764 COC(=O)CCSCC1=CC=CC=C1~    6.699
11765 O=S1(=O)CC[CH](C1)SCC2=CC=CC=C2~    8.379
11766 CC(C)(C)OOC(=O)C1=CC=CC=C1~    3.686
11769 CC1=CC(=C(C)C(=C1)C)OCC(O)=O~    7.646
11770 CCOC1=C(OCC)C=C(C=O)C=C1~    7.082
11772 CC(C)OC(=O)[CH](O)C1=CC=CC=C1~    5.410
11773 CCCOC(=O)COC1=CC=CC=C1~    5.024
11774 CCOC(=O)C1=C(OCC)C=CC=C1~    5.441
11775 COC1=CC=C(C=C1)C2OCCCO2~    6.851
11777 COC[CH](C)OC(=O)C1=CC=CC=C1~    6.145
11778 COCCOC(=O)CC1=CC=CC=C1~    6.658
11781 COC1=C(OC)C(=C(C=C1)C(C)=O)C~    7.421
11782 C[CH](COC1=CC=CC=C1)OC(C)=O~    5.873
11784 CCC1=C(C(O)=O)C(=CC(=C1)OC)C~    7.983
11786 CCCCOC(=O)C1=CC=C(O)C=C1~    8.073
11788 C[CH](CO)CC1=CC2=C(OCO2)C=C1~    9.228
11789 CC(C)(O)[CH](C(O)=O)C1=CC=CC=C1~   11.423
11791 COC1=CC=CC(=C1OCC=C)OC~    5.836
11792 COC1=C(O)C(=CC(=C1)C=CC)OC~    8.801
11793 COC1=C(O)C(=CC(=C1)CC=C)OC~    8.547
11794 CCC(=O)C1=CC(=C(OC)C=C1)OC~    7.341
11796 COCCOC(=O)C1=C(C)C=CC=C1~    6.225
11797 COCCOC(=O)C1=CC(=CC=C1)C~    6.225
11798 CCOCCOC(=O)C1=CC=CC=C1~    6.145
11799 CCOC(=O)CC1=CC=C(OC)C=C1~    5.955
11801 OCC[CH]1CO[CH](O1)C2=CC=CC=C2~    9.936
11802 COC1=CC(=CC=C1)[CH](C)CC(O)=O~    8.336
11803 CC[CH](CC1=CC=C(O)C=C1)C(O)=O~   10.967
11804 CCC(=O)C1=C(OC)C=C(OC)C=C1~    7.341
11805 CC[C](CO)(C(O)=O)C1=CC=CC=C1~   11.423
11806 CC(=O)[C]1(CCC=O)CCC=CC1=O~   10.582
11807 C[CH](CCC1=CC=C(O)C=C1)OC=O~    8.326
11808 COC1=C(C=CC=C1)[CH]2OC[CH](C)O2~    6.851
11809 CCC(=O)OCC1=CC=C(OC)C=C1~    5.955
11810 C[CH]1CCO[CH](O1)C2=CC=C(O)C=C2~    9.481
11811 CC[CH](O)[CH](C(O)=O)C1=CC=CC=C1~   11.423
11812 CCSC(=O)C1=CC=C(C=C1)S(=O)(=O)CC~    8.298
11813 CC(C)(C)C1=C(O)C=C(C(O)=O)C(=C1)O~   11.418
11814 CC(C)(C)C1=C(O)C(=CC(=C1)O)C(O)=O~   11.418
11815 C=CCOC(=O)CC(=C)C(=O)OCC=C~    6.225
11816 CCOC(=O)C1=C(O)C=C(OCC)C=C1~    6.324
11818 C[CH](O)C(=O)OCCOC1=CC=CC=C1~    6.680
11819 CC=CC(=O)O[CH](OC(=O)C=CC)C=C~    6.427
11821 CCOC1=C(OCC)C=C(C=C1)C(O)=O~    9.175
11823 COCCOC(=O)C1=CC=C(OC)C=C1~    7.496
11824 COC1=C(OC)C(=CC(=C1)C(C)=O)OC~    8.693
11825 CCCOC(=O)C1=CC=C(O)C(=C1)OC~    9.424
11826 COC1=CC=CC(=C1OC)C2OCCO2~    8.201
11829 COC(=O)[CH]1[CH]2C[CH](C=C2)[CH]1C(=O)OC~    6.408
11830 COC1=C(CC(C)=O)C(=CC(=C1)O)OC~   11.836
11831 COC(=O)CCS(=O)(=O)CC1=CC=CC=C1~    8.799
11834 COC(=O)C1=CC(=C(OC)C(=C1)OC)OC~    8.143
11835 CCCCOC(=O)C1=CC(=C(O)C(=C1)O)O~   16.039
11836 COC(=O)C1=CO[CH](O)[CH]2[CH]1CC=C2CO~   10.824
11839 COC1=C(OC)C(=C(C(O)=O)C(=C1)OC)OC~   11.876
11840 CC1(SCCCS1)C2=CC=CC=C2~    6.279
11841 CN(C)CC=CC1=CC=CC=C1~    5.668
11842 CCN1CCCC2=C1C=CC=C2~    4.134
11843 CCN1CCC2=C(C1)C=CC=C2~    5.721
11844 C[CH]1CC2=C(CN1C)C=CC=C2~    5.721
11846 CN(C)C1=CC=C(CC=C)C=C1~    3.907
11848 CCCN(C(C)=O)C1=CC=CC=C1~    6.652
11849 CC(C)N(C(C)=O)C1=CC=CC=C1~    6.652
11851 CCCC(=O)NCC1=CC=CC=C1~    8.457
11852 CC[CH](C)NC(=O)C1=CC=CC=C1~    7.943
11853 CCCC(=O)NC1=C(C)C=CC=C1~    7.921
11855 CCC(=O)N[CH](C)C1=CC=CC=C1~    8.457
11856 CCC(=O)NCCC1=CC=CC=C1~    8.457
11857 CC(C)C(=O)NCC1=CC=CC=C1~    8.457
11858 CC(C)C(=O)NC1=C(C)C=CC=C1~    7.921
11859 CCN(CC)C1=CC=C(C=O)C=C1~    6.425
11861 CC(C)CC(=O)NC1=CC=CC=C1~    7.842
11862 CC(=O)NC1=C(C)C=C(C)C=C1C~    8.081
11866 CC(C)C(=O)NC1=CC(=CC=C1)C~    7.921
11867 CC(=NC1=CC=CC=C1)C(C)(C)O~    6.860
11868 CCN(CC)C(=O)C1=CC=CC=C1~    7.726
11870 CC(C)CNC(=O)C1=CC=CC=C1~    7.943
11871 OC1=CC(=CC=C1)N2CCCCC2~    8.037
11872 CCCCNC(=O)C1=CC=CC=C1~    7.943
11873 CC(C)[CH](C(N)=O)C1=CC=CC=C1~    8.676
11874 CC(C)C1=CC=C(C)C(=C1)NC=O~    7.742
11876 CN(C)CCC(=O)C1=CC=CC=C1~    8.190
11877 CC1=C(NC[CH]2CO2)C(=CC=C1)C~    7.959
11878 CC[C](C)(C(N)=O)C1=CC=CC=C1~    8.676
11879 CN(C(C)=O)C1=C(C)C=C(C)C=C1~    6.812
11880 CC(C)(C)C(=O)CC1=CC=NC=C1~    7.914
11883 CC(C)[CH](C(C)=O)C1=CC=CC=N1~    7.914
11885 O=C(CCN1CCCC1)C2=CC=CS2~    8.564
11886 CC1(C)[CH]2CC[C]1(C)C(=O)[CH]2N=C=S~    4.230
11888 C[CH](O)C(=O)N[CH](C)C1=CC=CC=C1~    9.264
11889 CC(C)OC(=O)NCC1=CC=CC=C1~    7.907
11890 CC(C)OC(=O)N(C)C1=CC=CC=C1~    6.103
11891 CCC(C)(C)C1=CC=C(C=C1)[N+]([O-])=O~    4.137
11892 CCCC(=O)NC1=C(OC)C=CC=C1~    9.192
11893 CCOC(=O)N(CC)C1=CC=CC=C1~    6.103
11897 C[CH](O)C(=O)NCCC1=CC=CC=C1~    9.264
11898 CN(C)CCC(=O)C1=CC=C(O)C=C1~   12.173
11899 CCN(CC)C1=CC=C(C=C1)C(O)=O~    8.517
11901 COC1=C(NC(=O)C(C)C)C=CC=C1~    9.192
11902 COC1=CC=C(NC(=O)C(C)C)C=C1~    9.192
11904 CN(C)CCC(=O)C1=CC(=CC=C1)O~   12.173
11906 C=CCN1C(=O)[CH]2CCCC[CH]2C1=O~    7.000
11907 CN[CH](CCC1=CC=CC=C1)C(O)=O~    9.455
11908 CN(C)CCOC(=O)C1=CC=CC=C1~    7.640
11909 N[CH](CCCC1=CC=CC=C1)C(O)=O~    9.674
11912 CC1=C(O)C(=CC(=C1)N=O)C(C)(C)C~    7.777
11914 CC1=CC=CC(=C1C[CH](N)C(O)=O)C~    9.833
11916 CC1=CC(=CC(=C1)C)C[CH](N)C(O)=O~    9.833
11917 CCOC(=O)N[CH](C)C1=CC=CC=C1~    7.907
11919 CC(C)OC1=CC=C(NC(C)=O)C=C1~    9.192
11920 CC(C)(O)C(=O)NCC1=CC=CC=C1~    9.264
11921 C[CH](N)CCC1=CC2=C(OCO2)C=C1~    8.780
11922 CCNC[CH]1COC2=C(O1)C=CC=C2~    8.480
11923 CCCOC(=O)NC1=CC(=CC=C1)C~    7.372
11925 C[C](N)(CCC1=CC=CC=C1)C(O)=O~    9.674
11926 CC(C)COC(=O)NC1=CC=CC=C1~    7.292
11927 CCCCOC(=O)NC1=CC=CC=C1~    7.292
11928 CC(C)(C)OC(=O)C1=CC=C(N)C=C1~    7.542
11929 CC(C)(N)COC(=O)C1=CC=CC=C1~    8.078
11931 CCC1=CC(=CC(=C1)OC(=O)NC)C~    7.285
11932 C[CH](CNCC1=CC=CC=C1)C(O)=O~   10.754
11933 CCOC(=O)C[CH](N)C1=CC=CC=C1~    8.590
11935 CCCCNC1=CC(=CC=C1)C(O)=O~    9.706
11938 C[CH](O)CCNC(=O)C1=CC=CC=C1~   12.381
11940 CCOC(=O)CNCC1=CC=CC=C1~    7.072
11943 COC(=O)[CH](N)CSCC1=CC=CC=C1~    9.385
11944 CN1CCC(CC1)(C(O)=O)C2=CC=CS2~   10.910
11946 COC1=CC=C2[CH](O)[CH](N)CC2=C1OC~   13.296
11947 CCOC(=O)C1=C(C)C(=C(C)N1)C(C)=O~    9.764
11950 C[CH](NC(=O)OCCO)C1=CC=CC=C1~   12.345
11952 CCOC(=O)[CH](N)[CH](O)C1=CC=CC=C1~   11.728
11953 CC(C)NCC(=O)C1=CC(=C(O)C=C1)O~   15.074
11954 CCOC(=O)NC1=CC=C(OCC)C=C1~    8.642
11955 CCCCCOC1=C(C=CC=C1)[N+]([O-])=O~    5.408
11956 C[CH](O)COC(=O)NCC1=CC=CC=C1~   12.345
11957 CN(CC1=CC=CC=C1)C(=O)OCCO~   12.126
11959 CCOC(=O)CCOC1=C(N)C=CC=C1~    9.325
11961 CCOC(=O)CCOC1=CC=CC(=C1)N~    9.325
11962 CCOC(=O)C1=C(C)NC(=C1C)C(C)=O~    9.764
11963 COC1=CC=CC(=C1)NC(=O)OC(C)C~    8.642
11964 CCOC1=CC=C(C[CH](N)C(O)=O)C=C1~   11.024
11965 CN(C)[CH](CC1=CC=C(O)C=C1)C(O)=O~   13.219
11967 CCOC(=O)C1=C(C)C(=CN1)C(=O)OCC~    9.135
11969 CCCCS(=O)(=O)NC1=CC=CC(=C1)C(O)=O~   10.260
11970 CCCCNS(=O)(=O)C1=CC=C(C=C1)C(O)=O~   10.360
11971 CCOC(=O)CNS(=O)(=O)C1=CC=C(C)C=C1~    7.190
11972 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O~   10.141
11973 C[CH](O)[CH](NS(=O)(=O)CC1=CC=CC=C1)C(O)=O~   14.446
11975 NC(=N)N[CH]1CCC2=C(C1)C=CC=C2~   11.450
11976 NC(=N)N[CH]1CCCC2=C1C=CC=C2~   11.450
11977 CN(CC1=CC=CC=C1)C2=NCCN2~   10.714
11980 CCN(CC)N=NC1=CC=C(C=C1)C(O)=O~   10.721
11981 CN1CCN(CC1)C2=C(C=CC=C2)[N+]([O-])=O~    8.668
11982 NCCC(=O)N(CC1=CC=CC=C1)C(N)=O~   14.583
11983 CCSC(=O)[CH]1CCC2=C(C1)C(=NC(=N2)N)O~   12.393
11984 NC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCC2~    9.262
11985 COC1=C(OC)C=C(C=C1)C(C)=NNC(N)=S~    9.801
11986 CC[CH]1CSC(=N1)NS(=O)(=O)C2=CC=C(N)C=C2~   12.747
11987 CC1(C)CN=C(NS(=O)(=O)C2=CC=C(N)C=C2)S1~   12.747
11988 CC(=O)NNC(=O)[CH](N)CC1=CC=C(O)C=C1~   17.260
11990 CC1=C(CCO)SC=[N+]1CC2=C(O)N=C(O)N=C2~   26.640
11991 OC(=O)CC[CH](N(CCC#N)CCC#N)C(O)=O~   19.668
11992 CC(C)CC=NNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O~    7.860
11995 CC(C)C1=CC=C(C=C1)C=NNC(N)=S~    7.178
11996 CN1CCC(CC1)(C#N)C2=CSC(=N2)C~   12.004
11997 CC1(C)NC(=N)NC(=N1)NC2=CC=CC=C2~   13.108
11999 NC1=C2C=NN(C3CCCCC3)C2=NC=N1~   11.572
12000 NC1=C2N=CN(C3CCCCC3)C2=NC=N1~   11.565
12001 NC1=C2N=CN([CH]3CCCC[CH]3O)C2=NC=N1~   16.002
12002 NC1=NC(=C2N=CN(C3CCCCC3)C2=N1)O~   12.000
12004 CN(C)C1=C2N=CN([CH]3CCCO3)C2=NC=N1~   13.113
12005 CNC1=C2C=NN([CH]3CCCCO3)C2=NC=N1~   14.309
12008 CC1=NC(=NC(=C1[N+]([O-])=O)N2CCC2)N3CCC3~    7.069
12009 CCCC[CH](NC1=C2N=CNC2=NC=N1)C(O)=O~   16.149
12011 NC1=C2N=CN([CH]3CCC[CH](CO)O3)C2=NC=N1~   18.959
12013 CN1C(=O)N(C)C2=C(N(C)C(=N2)CCC(N)=O)C1=O~   17.099
12017 C[CH](O)[CH]1O[CH]([CH](O)[CH]1O)N2C=NC3=C(N)N=CN=C23~   21.830
12018 CNC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=NC=N1~   21.613
12019 CSC1=NC(=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=N1)N~   21.900
12020 CSC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=NC(=N1)N~   18.349
12022 COC1=NC(=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=N1)N~   22.222
12023 NC1=NC=NC2=C1N=CN2[C]3(CO)OC[CH](O)[CH](O)[CH]3O~   23.268
12025 NC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)C2=NC=N1~   23.268
12026 NC1=NC(=C2N=CNC2=N1)SC3CCCCC3~    9.290
12027 CC1=C(C)C(=C(C)C(=C1)C)C~    2.055
12029 CC1=CC=C(C=C1)C(C)(C)C~    1.812
12030 CC1=C(C=CC=C1)C(C)(C)C~    1.812
12031 CC1=CC=CC(=C1)C(C)(C)C~    1.812
12032 C[N+](C)(C)CC1=CC=C(C=C1)C#N~   15.688
12033 CN1CCN(CC1)C2=CC=CC=C2~    7.604
12034 CC1=C(C=CC=C1)N2CCNCC2~    7.903
12036 C1CCN(C1)CCC2=CC=CC=N2~    8.400
12037 C1CCN(C1)CCC2=CC=NC=C2~    8.400
12038 C1CN(CCN1)CC2=CC=CC=C2~    9.409
12041 CC(C)(CNC(N)=O)C1=CC=CC=C1~    9.821
12042 COC1=C(C=CC=C1)N2CCNCC2~    9.174
12043 CC(C)CCON=CC1=CN=CC=C1~    6.333
12046 C1CN(CCO1)CCC2=CC=CC=N2~   10.455
12047 CCN(CC)C(=O)CC1=CC=CC=N1~   11.000
12048 CC(C)OC(=O)NC1=CC(=CC(=N1)C)C~   10.213
12051 CC(C)NCCC1=C(C=CC=C1)[N+]([O-])=O~    7.907
12060 CCOC(=O)NN(CC)C1=CC=CC=C1~    8.483
12064 CN(C)C1=CC=C(C[CH](N)C(O)=O)C=C1~   11.717
12065 CC1=CN(C2CCCCC2)C(=O)NC1=O~    9.266
12068 O=S(=O)(NC1=CC=CC=C1)N2CCCCC2~    7.057
12070 CCCC1(CC=CC)C(=O)NC(=S)NC1=O~    8.253
12073 CCOC(=O)C1=C(C)C(=C(C)N1)C(C)=NO~   11.080
12075 CN(C)CC[CH](O)C1=CC=C(C=C1)[N+]([O-])=O~   12.125
12078 CCCCC1(CC=C)C(=O)NC(=O)NC1=O~   12.201
12079 O=C1NC(=O)C(C2CCCCCC2)C(=O)N1~   12.429
12080 CCCC(=O)NNS(=O)(=O)C1=CC=C(C)C=C1~   10.955
12081 CCCCS(=O)(=O)NC(=O)NC1=CC=CC=C1~    9.541
12083 COC[CH](CNO)OC(=O)C1=CC=C(N)C=C1~   16.282
12084 CCOC(=O)N1[CH]2C[CH](C=C2)N1C(=O)OCC~    7.991
12086 OC[CH](O)[CH](O)[CH](O)C(=O)NNC1=CC=CC=C1~   15.337
12088 CCOC(=O)NC(NC(=O)OCC)C1=CC=CO1~    8.137
12090 CCCCSC(=N)NC1=CC=CC=C1~    8.504
12096 NC(=O)C(=CNC(=O)NC1CCCCC1)C#N~   17.924
12097 CN(N=O)C1=C(C)C(=C(C)C=C1C)N(C)N=O~    8.236
12099 CCCCN1C=NC2=C1N(C)C(=O)N(C)C2=O~   10.077
12101 CC(=NNC1=CC=C(C=N1)[N+]([O-])=O)C(C)(C)C~    9.967
12103 CC(C)SC1=NC2=C(N1C)N(C)C(=O)N(C)C2=O~   11.735
12105 CCOC(=O)C1=C(C)C(=C(C)N1)C=NNC(N)=O~   14.860
12106 CC(C)OC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C~   11.428
12107 CCOC(=O)C1=C(C)NC(=C1C)C=NNC(N)=O~   14.860
12108 CC1(C)NC(=O)N(CN2C(=O)NC(C)(C)C2=O)C1=O~   16.000
12109 CCCCCCSC1=C2N=CNC2=NC=N1~    9.032
12110 CCCCCCSC1=C2C=NNC2=NC=N1~    9.040
12113 NNC1=C2N=CN([CH]3CCCC[CH]3O)C2=NC=N1~   18.381
12115 CN1C(=O)N(C)C2=C(N(CC3NCCN3)C=N2)C1=O~   15.471
12116 C[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C=NC3=C(N)N=C(N)N=C23~   21.733
12117 C[CH](O)[CH]1O[CH]([CH](O)[CH]1O)N2C=NC3=C(N)N=C(N)N=C23~   21.733
12118 CNC1=NC(=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=N1)N~   21.514
12119 COCC1=C(C)C=C(C)C=C1C~    4.029
12121 CCCC1=C(C)C(=CC=C1O)C~    5.876
12122 COC1=CC=C(C=C1)C(C)(C)C~    3.085
12123 CC[C](C)(O)C1=CC=C(C)C=C1~    6.251
12125 OCCCCCC1=CC=CC=C1~    6.171
12126 CCC[CH](O)C1=C(C)C=CC=C1~    6.251
12128 CCC[CH](C)C1=CC=C(O)C=C1~    5.717
12130 CC1=C(O)C=CC(=C1)C(C)(C)C~    5.796
12131 CCCC[CH](O)C1=CC=CC=C1~    6.171
12132 CCC[CH](O)C1=CC=C(C)C=C1~    6.251
12134 CCC[C](C)(O)C1=CC=CC=C1~    6.171
12135 CC(C)[C](C)(O)C1=CC=CC=C1~    6.171
12136 O[CH]1C[CH]2CC[C]13CC=CC[CH]23~    5.462
12137 CC(C)(CCO)C1=CC=CC=C1~    6.171
12138 CCCCC1=CC=C(OC)C=C1~    3.085
12139 C[C]12CCCCC1=CC(=O)CC2~    4.289
12140 CCC(O)(CC)C1=CC=CC=C1~    6.171
12141 CC1=C(C)C(=C(O)C(=C1C)C)C~    6.037
12142 CC1=CC(=C(C=C1)C(C)(C)C)O~    5.796
12143 CCOC(OCC)C1=CC=CC=C1~    5.143
12144 CC1(C)[CH]2CC[C]13CC(=O)O[CH]3C2~    3.839
12145 C[CH](O)CO[CH](C)C1=CC=CC=C1~    8.225
12146 CC1(C)[CH]2CC[C]1(C)C(=O)C2=CO~    7.900
12147 COC1=C(C=CC=C1)[CH](O)C(C)C~    7.521
12148 C[C]12CC=CC[CH]1[CH](O)C=C[CH]2O~    6.599
12151 CCCCCCC(=O)C1=CC=CO1~    4.394
12152 CCC(=O)OC[CH]1C[CH]2C[CH]1C=C2~    3.539
12153 CC(C)C1=CC=C(C)C(=C1)OCO~    7.602
12154 COC(CCC1=CC=CC=C1)OC~    5.143
12155 COC(OC)[CH](C)C1=CC=CC=C1~    5.143
12156 CC(C)(C)C1=CC(=C(O)C=C1)CO~   10.234
12157 CCCCS(=O)(=O)CC1=CC=CC=C1~    5.928
12158 CC1=CC=C(C=C1)S(=O)(=O)C(C)(C)C~    5.492
12159 COC(CSCC1=CC=CC=C1)OC~    7.238
12161 CCOC(=O)[CH]1[CH](C)CC(=O)C=C1C~    6.801
12162 COCCOCC1=CC=C(OC)C=C1~    7.194
12163 OCCOCCOCC1=CC=CC=C1~   10.280
12165 CC1=C(C)C=C(OC[CH](O)CO)C=C1~    9.039
12166 CC1=CC(=CC(=C1)C)OC[CH](O)CO~    9.039
12167 CC1=CC(=C(OC[CH](O)CO)C=C1)C~    9.039
12168 COC(COC1=CC=C(C)C=C1)OC~    6.493
12169 CCOC(=O)[CH]1C[CH]2C[CH](C=O)[CH]1C2~    6.642
12170 CC(=O)OC1=C(C)CC(C)(C)CC1=O~    5.053
12171 CCO[CH](C)C1=CC=C(O)C(=C1)OC~    9.122
12172 COC1=CC=C(C=C1)[C](C)(O)[CH](C)O~    8.959
12173 CCCCOS(=O)(=O)C1=CC=C(C)C=C1~    5.682
12174 CCOC(=O)C(=O)[CH]1CCC[CH](C)C1=O~    9.069
12175 C=CC1OCC2(CO1)COC(OC2)C=C~    8.388
12176 CCOC1=C(C)C(=O)C(=C(OCC)O1)C~    6.200
12177 CCC1=C(OC)C=C(OC)C(=C1O)OC~    9.770
12178 COC[CH](O)[CH](O)COC1=CC=CC=C1~   10.932
12180 CCOC(=O)C(=O)C(=O)CC(=O)CC(C)C~   11.236
12182 CCOC(=O)[CH](C(=O)CCC(=O)OC)C(=O)OC~   11.928
12187 CCCCCCC1=CC=CC=N1~    4.493
12189 CCC(C)(C)C1=CC=C(N)C=C1~    5.185
12191 CCN(CC)C1=CC=C(C)C=C1~    3.777
12194 CNCCCCC1=CC=CC=C1~    5.503
12195 CC(C)C1=CC=C(CCN)C=C1~    5.801
12196 C[CH](N)[CH](C)CC1=CC=CC=C1~    5.721
12197 C[CH](CC1=CC=CC=C1)N(C)C~    5.284
12198 CCCCNCC1=CC=CC=C1~    5.503
12199 CC[C](C)(CN)C1=CC=CC=C1~    5.721
12200 CC[CH](C)NCC1=CC=CC=C1~    5.503
12203 CCC(CC)CC1=CC=CN=C1~    4.493
12204 COC1=CC=C(C)C(=C1)CN(C)C~    6.717
12206 CNC[CH](C)C1=C(OC)C=CC=C1~    6.854
12207 CN(C)CC[CH](O)C1=CC=CC=C1~    9.721
12208 CN[CH](C1=CC=CC=C1)C(C)(C)O~    9.939
12209 CC(C)NC[CH](O)C1=CC=CC=C1~    9.939
12210 COC1=CC=C(CC[CH](C)N)C=C1~    7.072
12211 CC[CH](N)CCC1=CC=C(O)C=C1~    9.703
12212 CN(C)CC1=C(O)C(=CC(=C1)C)C~    9.427
12213 C[CH](CNCCO)C1=CC=CC=C1~    9.939
12215 CN(C)CCOCC1=CC=CC=C1~    7.339
12218 C[CH]([CH](O)C1=CC=CC=C1)N(C)C~    9.721
12219 C[N+](C)(C)CC(=O)C1=CC=CC=C1~   15.155
12220 CCC[C](C)(O)CC1=CC=CN=C1~    8.932
12221 CN(CCO)CCC1=CC=CC=C1~    9.721
12222 CC1(C)[CH]2CC[CH](C2)C1=CC(N)=O~    7.812
12224 CN(C)[CH](CO)CC1=CC=CC=C1~    9.721
12225 CC1(C)[CH]2CC[C]1(C)C(=O)[CH]2NC(S)=S~    5.475
12226 CC1=CC(=CC=C1)N(CCO)CCO~    9.652
12227 CCOC(=O)C1=C(C)C(=C(C)N1)CC~    6.860
12228 CCOC(=O)[CH](C#N)C1CCCCC1~    6.633
12229 CC[CH](CN(C)C)C(=O)C1=CC=CO1~    7.943
12230 CCCCNS(=O)(=O)C1=CC=C(C)C=C1~    5.622
12234 COC1=C(OC)C(=CC(=C1)CCN)OC~    9.775
12236 CC(C)NC[CH](O)C1=CC(=C(O)C=C1)O~   17.907
12237 CCOC(=O)NC1=CC(=O)CC(C)(C)C1~    9.860
12239 OC(=O)[CH]1CN(C2CCCCC2)C(=O)C1~   12.370
12240 CCCOC(=O)ON=C(C1CC1)C2CC2~    2.719
12241 C[C]12CCC[C](CC(O)=O)(C1)NC(=O)C2~   12.588
12242 COC1=C(C=CC=C1)N(CCO)CCO~   10.924
12243 CC(C)C1=CC=C(C)C(=C1)S(=O)(=O)NCO~    8.839
12244 CCCCN1C[CH](C(=O)OCC)C(=O)C1=O~   12.155
12246 CCOC(=O)[CH]1CN(C(=O)C1=O)C(C)(C)C~   12.155
12247 CCOC(=O)C[CH](C#N)[CH](C)C(=O)OCC~    9.146
12248 CC1(COC(OC1)[CH]2CCC=CC2)[N+]([O-])=O~    7.321
12250 CC1=CC=C(C=C1)S(=O)(=O)N(CCO)CCO~   11.277
12251 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(C)(=O)=O~    9.080
12252 CCOC(=O)[CH](NC(=O)C=CC(O)=O)C(C)C~   14.049
12253 CCOC(=O)C1(NC(=O)C[CH]1C)C(=O)OCC~   11.420
12258 CC1=C(CN2CCCCC2)C(=NC(=N1)O)O~   16.706
12259 CSCC[CH](N(CCC#N)CCC#N)C(O)=O~   16.510
12260 CCCCS(=O)(=O)NC1=C(C=CC=C1)C(=O)NN~   14.330
12261 CC1(C)[CH]2CC[C]1(C)C3=NNC(=S)N[CH]23~    6.115
12262 CCCN(CCC)C1=C2C=NNC2=NC=N1~   11.016
12264 CCCCCCN1N=CC2=C(N)N=CN=C12~   11.217
12266 CC(C)CCNC1=C2C=NN(C)C2=NC=N1~   11.000
12267 CCCCN(C)C1=C2C=NN(C)C2=NC=N1~    9.810
12271 CC(C)OCCCNC1=C2N=CNC2=NC=N1~   14.252
12272 CCCCCCN1C=NC2=C(O)N=C(N)N=C12~   11.642
12273 CC(C)C1=CC=C(C=C1)C=NNC(=N)NN(O)O~   18.783
12274 CCCCNC1=NC2=C(N1)N(C)C(=O)N(C)C2=O~   14.516
12276 CCCNC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C~   13.311
12277 NC1=NC(=C(NC=O)C(=N1)O)NC2CCCCC2~   18.075
12278 CCN(CC)C1=C2N=C(C)NC2=NC(=N1)SC~   11.157
12281 CCCN1C=NC2=C1N=C(N)N=C2SC(C)C~    7.728
12282 NC1=C2N=C(NC2=NC=N1)N3CCN(CCO)CC3~   22.804
12285 C[N+]1(C)CCC[CH]1C2=CN=CC=C2~   16.666
12286 CCN(CC)CC1=CC=C(N)C=C1~    8.735
12287 CC(C)CNCCC1=NC=CC=C1~    8.263
12288 CCCCNCCC1=CC=CC=N1~    8.263
12289 CNN(C)C1=C(C)C=C(C)C=C1C~    6.318
12290 C1CCC(CC1)NCC2=CC=CN2~    8.386
12291 CCC(=O)N(C)C1(CCCCC1)C#N~   10.268
12292 CCN(CC)CC1=C(O)C=CC(=C1)N~   12.719
12293 CCN(CC)C(=O)C1=CC=[N+](C)C=C1~   15.280
12294 CN(C)C1=CC=C(CNCCO)C=C1~   11.983
12295 CC(C)CC[N+]1=CC(=CC=C1)C(N)=O~   15.717
12296 CCN(CC)CCOC1=CC=CC=N1~    8.356
12297 CN(C)CCOC1=C(CN)C=CC=C1~   10.623
12299 CC1(C)[CH]2CC[C]1(C)C(=O)[CH]2NC(N)=S~    8.182
12300 C[CH]1CN(C2CCCCC2)C(=S)NC1=O~    8.580
12301 CC(C)C[CH]1CCC[C]12NC(=O)NC2=O~    8.175
12303 CC[C]1(NC(=O)NC1=O)C2CCCCC2~    8.175
12304 C[N+](C)(C)C1=CC=C(C=C1)[CH](N)C(O)=O~   20.955
12305 C[CH]1CN(C2CCCCC2)C(=O)NC1=O~    9.257
12306 CNC(=O)C1CC2(C1)CC(C2)C(=O)NC~   10.860
12307 CCCCC1(CCC)C(=O)NC(=S)NC1=O~    8.197
12308 CCC1(CCC(C)C)C(=O)NC(=S)NC1=O~    8.197
12313 CCC[CH](C)[C]1(C)C(=O)NC(=O)N(C)C1=O~   11.854
12314 CCCCCC[C]1(C=O)N(C)C(=O)NC1=O~   10.759
12316 CCN1C(=O)NC(=O)[C](CC)(C(C)C)C1=O~   11.854
12317 CC[CH](C)[C]1(CC)C(=O)NC(=O)N(C)C1=O~   11.854
12318 CCC[CH](C)C1(CC)C(=O)NC(=O)NC1=O~   12.074
12319 CCCCCC1(CC)C(=O)NC(=O)NC1=O~   12.074
12320 CCC1(CCC(C)C)C(=O)NC(=O)NC1=O~   12.074
12321 CCN(CC)S(=O)(=O)C1=CC(=C(OC)C=C1)N~   10.125
12322 CCCCNS(=O)(=O)C1=CC(=C(OC)C=C1)N~   10.344
12323 CC(C)(COC(=O)N1CC1)COC(=O)N2CC2~    9.325
12325 C[CH](CC1=CC=CC=C1)NN(CS(O)(=O)=O)CS(O)(=O)=O~   15.857
12326 OC(=O)CN(CCCN(CC(O)=O)CC(O)=O)CC(O)=O~   22.810
12327 CC1=NC(=CS1)CCN2CCCCC2~    8.499
12330 CCCCCCNC(=O)NC=C(C#N)C(N)=O~   17.567
12334 CCN(CC)CCNC1=C2C=NNC2=NC=N1~   15.754
12335 CCCCNC1=NC(=C2N=CNC2=N1)N(C)C~   10.693
12336 CCCCNC1=C2N=CNC2=NC(=N1)N(C)C~   10.693
12338 CCN(CC)CCNC1=C2N=CNC2=NC=N1~   15.747
12339 CCN(CC)N1C(=N)NC2=C1C(=O)N(C)C(=O)N2C~   15.682
12340 CN(C)C1=NC(=NC(=N1)C(=S)N(C)C)C(=S)N(C)C~   11.077
12342 CC1(C)[CH]2CC[CH](C2)C1=CCO~    5.034
12343 C[CH]1CC[CH]2[CH]1CCCCC2=O~    4.032
12344 CCCC=C(CC)C=CC(C)=O~    3.721
12345 CC(=O)CCC=C1CCCCC1~    3.660
12346 O[CH]1C[CH]2CC[C]13CCCC[CH]23~    5.407
12347 C[CH]1CC(C)(C)C[C](O)(C1)C#C~    5.602
12349 CC(=O)O[CH]1CCC[CH]2CCC[CH]12~    3.483
12350 CC(=O)O[CH]1CC[CH]2CCC[CH]2C1~    3.483
12352 C[C]12CC[CH](C1)C(C)(C)[CH]2OC=O~    3.223
12353 COC(=O)[CH]1[CH](C=C(C)C)C1(C)C~    3.111
12354 C[CH]1CC=CC[CH]1C2OCCCO2~    4.079
12355 C[CH]1CO[CH](O1)[CH]2CC=CC[CH]2C~    4.079
12359 CC(C)=CCC[C](C)(OC=O)C=C~    2.623
12360 C[CH]1O[CH](O[CH]1C)[CH]2CCC=CC2~    4.079
12361 C[CH]1CCO[CH](O1)[CH]2CCC=CC2~    4.079
12362 C[CH]1O[CH]1[C]2(C)CC[C]3(C)O[CH]3C2~    5.578
12363 CCCCOC(=S)SSC(=S)SSC(=S)OCCCC~    8.405
12364 CCOC(=O)[C]1(C)CCC[CH](C)C1=O~    6.545
12365 OC(=O)CCC(=O)CC1CCCCC1~    8.928
12366 C1COC23OCCCC2(C1)CCCO3~    7.333
12367 CO[CH](C)CCOC(=O)C=CC=CC~    5.300
12369 CCOC(=O)[CH]1OC12CCCCCC2~    5.188
12370 CCOC(=O)[CH]1CCC(C)(C)CC1=O~    6.545
12371 COC(OC)OC1(CCCCC1)C#C~    6.629
12373 C[CH]1CCCC(C1)(CC(O)=O)CC(O)=O~   10.762
12374 CC(=O)OCCCC=CCCOC(C)=O~    5.697
12375 OC(=O)C(C1CCCCCCC1)C(O)=O~   10.762
12377 CCC(=O)O[CH]1CCC[CH]1OC(=O)CC~    5.996
12378 CCOC(=O)C(CC(C)=C)C(=O)OCC~    5.697
12379 CCCOC(=O)CC(=C)C(=O)OCCC~    5.971
12380 CC(C)OC(=O)CC(=C)C(=O)OC(C)C~    5.971
12382 CCOC(=O)CC[CH](C(C)=O)C(=O)OCC~    9.059
12383 CCOC(=O)C1(CCOCC1)C(=O)OCC~    8.951
12384 CO[CH]1OC[CH]2OC(C)(C)O[CH]2[CH]1OC(=S)SC~   13.375
12385 CCOC(=O)C(CCC(=O)OC)C(=O)OCC~    8.510
12390 C[N+](C)(C)CCC1=CC=CC=C1~   13.550
12392 CCCC[C](CC)(CCC#N)C=O~    6.565
12393 C[N+](C)(C)CCC1=CC=C(O)C=C1~   17.532
12394 CCN1C[CH]2[CH]3CC[C](C)(O3)[CH]2C1~    7.475
12395 CC(O)CN1CC2C3CCC(O3)C2C1~   11.910
12396 CC1(C)[CH]2CC[C]1(C)[C](N)(C2)C(O)=O~    8.553
12397 CCCCCC1(C)CC(=O)NC(=O)C1~    6.735
12399 C[N+](C)(C)CCC1=CC=C(O)C(=C1)O~   21.514
12400 CCCC[CH](CC)COC(=O)CSC#N~    6.120
12401 COC(=O)[CH]1CC[C](C)(C(N)=O)C1(C)C~   10.069
12402 CCC1(COC2(CCCCC2)OC1)[N+]([O-])=O~    7.266
12403 CCC(=O)OCCNC(=O)[CH](C)OC(=O)CC~   11.514
12404 CC1(C)O[CH]2O[CH]([CH](O)CN3CC3)[CH](O)[CH]2O1~   16.757
12405 CC(C)=CCCC(C)=CC=NNC(N)=O~    7.870
12406 CC1=CCCC[C]1(C)C(C)=NNC(N)=O~    8.243
12407 CC12CCC(CC1)C(C)(C)N=C(NN=O)S2~    8.907
12408 CC1(C)[CH]2CC[C]1(C)C(=O)[CH]2NC(=S)NN~   10.561
12409 CC[C]1(CC(C)C)C(=O)NC(=NC1=O)NC~   11.810
12410 CO[CH]1CCCC2(CNC(=N)NC2)C(=O)OC1~   14.599
12412 CC1(C)[CH]2CC[CH](C=NNC(N)=S)[CH]1C2~    5.979
12413 CCCCSC1=NC(=C(C)C=N1)N(C)C~    6.866
12414 CCCCCC[C]1(NC(=O)NC1=O)C=NNC(N)=S~   13.184
12416 CCCCCC[C]1(NC(=O)NC1=O)C=NNC(N)=O~   19.020
12417 C1CCC(CC1)C2CCCC2~    0.333
12418 C[CH]1CC[CH](C=C1)C(C)(C)C~    0.564
12419 CC[CH]1CC[CH]2CCCC[CH]12~    0.333
12420 O=C(N1CCCCC1)N2CCCCC2~    8.045
12422 CCCCOC(=N)N(CC=C)CC=C~    7.287
12423 N=C(OC1CCCCC1)N2CCCC2~    7.742
12424 CCCCC[CH](CC=C)C(=O)NC(N)=O~    9.111
12426 CCC[CH](C)[CH](CC=C)C(=O)NC(N)=O~    9.111
12429 CCCCC1(CCCC)NC(=O)NC1=O~    7.821
12430 N=C(OC1CCCCC1)N2CCOCC2~    9.796
12431 N[CH](CCC(=O)NC1CCCCC1)C(O)=O~   14.921
12433 CCOC(=O)[CH](C)NC(=O)C1CCNCC1~   12.320
12435 CCCCC[C]1(NC(=O)NC1=O)C(OC)OC~   11.229
12437 CC(C)[CH](NC(=O)N[CH](C(C)C)C(O)=O)C(O)=O~   15.674
12439 CCCCN1C(=S)NC(C)(C)C=C1C~    5.007
12441 C(CCSC1=NCCN1)CCSC2=NCCN2~   14.951
12442 CC1(C)[CH]2CC[CH](CCO)[CH]1C2~    5.051
12444 CCCCCCC[C](C)(O)C#C~    5.246
12445 C[CH]1CC(=O)CC[CH]1C(C)(C)C~    3.676
12446 C[CH]1CC[CH](C(=O)C1)C(C)(C)C~    3.676
12447 CCC[CH](C)C1CCC(=O)CC1~    3.676
12448 CCC(C)(C)[CH]1CCCCC1=O~    3.676
12449 CCC(C)(C)C1CCC(=O)CC1~    3.676
12450 CCCCC(=O)C1CCCCC1~    3.676
12452 OC(C1CCCC1)C2CCCC2~    5.051
12453 C=CCCCCCCCCC=O~    3.189
12454 CCCC[CH](CC)C(=O)CC(C)=O~    6.738
12457 OC(=O)CCCCCCCCC=C~    5.281
12459 CCCC[CH](CC)COC(=O)C=C~    3.173
12460 CCCCCCCCOC(=O)C=C~    3.173
12461 CCC(=O)OCCC1CCCCC1~    3.127
12463 CCCCCC(=O)OC1CCCC1~    3.127
12464 CC1CCC2(CC1)O[CH](C)[CH](C)O2~    4.023
12465 CC1(C)COC2(CCCCC2)OC1~    4.023
12466 CCCCCC(C)=CC(=O)OCC~    3.029
12467 CCCCC[CH](C(C)=O)C(=O)CC~    6.738
12468 CCCCCCCCC(=O)OC=C~    2.072
12469 C[CH]1CCCCCCCCC(=O)O1~    3.127
12470 CC[CH](C)C(OCC=C)OCC=C~    3.567
12471 CC[CH]1CC[CH](CC)[CH]1OC(C)=O~    3.127
12473 CCOC(OCC)[CH]1CCC=CC1~    3.724
12474 CCC(CC)C(=O)OC1CCCC1~    3.127
12475 CCCC[CH](CC)C=C(C)C(O)=O~    5.411
12476 CC(C)[CH]1CCCC[CH]1OC(C)=O~    3.127
12477 CC(C)C1CCC(CC1)OC(C)=O~    3.127
12479 C[CH]1CC[CH](C(C)C)[CH](C1)OC=O~    2.866
12483 C[CH]1C[CH](CC(C)(C)C1)OC(C)=O~    3.127
12484 CCCCCCCOC(=O)C(C)=C~    3.101
12485 CC(C)CC(=O)[CH](C(C)C)C(C)=O~    6.738
12487 C[CH]1OC2(CCCC2)OCC1(C)C~    4.023
12488 CC1CCC2(CC1)OCC[CH](C)O2~    4.023
12489 CCC1(C)COC2(CCCC2)OC1~    4.023
12490 CC=CCCCCCCCC(O)=O~    5.210
12491 CC[CH](CC(C)C)C(=O)OCC=C~    2.900
12494 CCCCCCC[CH]1CCC(=O)O1~    3.127
12495 C[CH](CCC=C(C)C)COC(C)=O~    2.754
12496 CC(C)(C)C1CCC(CC1)C(O)=O~    5.510
12497 CCC[CH](C)C(=O)OC[CH]1CCCO1~    6.082
12498 CCCC(=O)OCCC[CH]1CCCO1~    6.082
12499 CCC(=O)OCCCC[CH]1CCCO1~    6.082
12500 CCC(CC)C(=O)OC[CH]1CCCO1~    6.082
12501 CCCC[C]1(OC1(C)C)C(=O)OCC~    4.833
12505 CCCC(=O)OC(CC)OC(=O)CCC~    5.640
12508 CCCCC(C(=O)OCC)C(=O)OCC~    5.640
12510 CCOC(=O)CC[C]1(C)O[CH](C)[CH](C)O1~    6.536
12512 CCOC(=O)C(CC)(CC)C(=O)OCC~    5.640
12513 CCCCCCC(CC)(C(O)=O)C(O)=O~   10.406
12515 CC(C)O[CH]1CCC[CH](O)[CH]1CC(O)=O~   12.001
12516 CCCCCCC(=O)O[CH](C)C(=O)OC~    4.790
12520 CC(=O)OCCCC[CH]1COC(C)(C)O1~    6.536
12521 CCOC(=O)C([CH](C)CC)C(=O)OCC~    5.640
12522 CCCCCCC(OC(C)=O)OC(C)=O~    5.640
12523 CC(C)CO[CH]1CCC[CH](O1)OC(C)=O~    7.437
12524 CCCC(=O)OC[CH]1COCOC1(C)C~    6.536
12525 CC[CH](C[C]1(C)OCC[CH](C)O1)C(O)=O~    8.917
12526 OCC1(CO)CC2(C1)CC(CO)(CO)C2~    9.362
12527 CCOC(=O)CC(=O)C(C)(OCC)OCC~    8.750
12528 CCOC(=O)[CH](C)OC(C)(C)C(=O)OCC~    5.996
12529 CCOC(=O)C(CCCCS(O)(=O)=O)C(=O)OCC~   12.408
12530 CCS(=O)(=O)C(CCC(O)=O)(CCC(O)=O)S(=O)(=O)CC~   18.796
12531 CCOC(=O)CCS(=O)(=O)CS(=O)(=O)CCC(=O)OCC~   14.031
12532 CCCC(CCC)(CCC)C#N~    3.408
12533 C1CCC(CC1)NC2CCCC2~    4.383
12534 CCCCCCCCCCC#N~    3.408
12536 CCC(CC)CN[CH]1CCC=C1~    4.083
12537 CCCCCCN[CH]1CCC=C1~    4.083
12541 NC(=O)CCCCCCCCC=C~    6.971
12546 CC(C)CC(=O)NC1CCCCC1~    6.983
12547 CCCN(CCC)C(=O)C=C(C)C~    6.664
12549 CN[CH](CCC1CCCCC1)C(O)=O~    7.979
12551 CCN[CH](CC1CCCCC1)C(O)=O~    7.979
12552 CCCC[C]1(CC)COC(=O)N(C)C1~    6.214
12554 CCN(CC)C[CH]1CCC[CH](O)C1=O~    8.034
12556 CC(C)N(C(C)C)C(=O)CCCC(O)=O~   11.660
12557 CCCOC(=O)CCC(=O)N(CC)CC~    9.277
12558 CCCC[CH](CC)C(=O)O[CH](C)C(N)=O~    8.863
12559 CCCCCCC[CH](NC(C)=O)C(O)=O~   10.577
12560 CCCCCCC1OCC(C)(CO1)[N+]([O-])=O~    6.910
12562 CCOC(=O)CCN(C)CCC(=O)OCC~    9.192
12565 CCOC(=O)C[CH](C(=O)OCC)[N+]1(C)CC1~   16.513
12566 CCCCCC1(C)OCC(C)(CO1)[N+]([O-])=O~    6.910
12568 CCOC(=O)C[CH](N(C)CCO)C(=O)OCC~   12.329
12570 CCCCC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O~   18.684
12572 CCCC(=NNC(N)=O)C(C)(C)C(C)=C~    7.959
12573 CC(C)=CCCC(C)=CC=NNC(=N)NN(O)O~   16.839
12574 CC(=O)N[CH]1CCC[CH](C1)C(C(=O)NN)C(=O)NN~   22.423
12576 CCC[CH](C#CCN(C)C)N(C)C~    8.208
12579 C[CH]1CC(C)(C)NC2(CCCC2)N1~    5.652
12580 NNC(=O)CCCCCCCCC=C~    9.351
12581 CC(=O)NCCCCN1CCCCC1~   10.532
12583 CN(C)C[CH]1CC[CH](CN(C)C)C1=O~   10.777
12584 CCN(CC)C(=O)C1CCN(C)CC1~   10.313
12585 CO[CH]1CC[CH]2N[CH](C)[CH](C)N[CH]2C1~   10.207
12587 C(CN1CCOCC1)CN2CCOCC2~   11.824
12588 CC(C)[CH]1CC[CH](C)C[CH]1OC(=O)NN~    9.030
12589 O=S(=O)(NC1CCCCC1)N2CCCCC2~    6.198
12590 CC(C)OC(=O)NCCCN1CCOCC1~   12.038
12591 OC(CN1CCOCC1)CN2CCOCC2~   16.261
12594 CCOC(=O)[CH](N)CCC[CH](N)C(=O)OCC~   11.016
12596 CC(C)(C)CC(=O)CC(C)(C)C~    3.321
12599 CC[CH](C)[CH]1CC[CH](O)C[CH]1C~    4.695
12600 CCCC[CH](CC)CCC(C)=O~    3.321
12602 C[CH]1C[CH](O)CC[CH]1C(C)(C)C~    4.695
12603 C[CH]1CC[CH]([CH](O)C1)C(C)(C)C~    4.695
12604 CCC[CH](C)C1CCC(O)CC1~    4.695
12605 CCC(C)(C)[CH]1CCCC[CH]1O~    4.695
12606 CCC(C)(C)C1CCC(O)CC1~    4.695
12608 CCCCCCCC(=O)C(C)C~    3.321
12609 COC1CCC(CC1)C(C)(C)C~    2.312
12611 CO[CH]1CC[CH](C(C)C)[CH](C)C1~    2.312
12612 CCCCCCCCCCC=O~    3.061
12613 CCCCCCCCCCOC(S)=S~    3.600
12614 CC(C)C[CH](C)OC(=O)CC(C)C~    2.772
12615 CCC(CC)C(=O)OCC(C)(C)C~    2.772
12616 CCCCCCCCCC(=O)OC~    2.772
12617 CCCC[CH](CC)[CH](O)CC(C)=O~    7.757
12618 CCCOC1C[CH](C)C(O)[CH](C)C1~    6.750
12619 CCCCCC[CH]1O[CH](C)[CH](C)O1~    3.668
12620 CCCCCC(=O)OC(CC)CC~    2.772
12621 CCCCCC[C]1(C)OC[CH](C)O1~    3.668
12625 CCCCCCCCC(=O)OCC~    2.772
12626 CCCC[CH](CC)COC(=O)CC~    2.772
12627 CCCCCCOC(=O)C(C)(C)C~    2.772
12628 CCCCCOC(=O)[CH](C)CCC~    2.772
12629 CCC[CH](C)C(=O)OCCC(C)C~    2.772
12631 C[CH]1C[CH](CC(C)(C)C1)OCCO~    6.750
12633 CCCCCOC(=O)C(CC)CC~    2.772
12634 CCC(CC)C(=O)OCCC(C)C~    2.772
12635 CCCCCCCCCCOC=O~    2.513
12636 CCCCCCOC(=O)CCCC~    2.772
12637 CCCCCCCCC1OCCO1~    3.668
12638 CCCCCCC(=O)OCCCC~    2.772
12639 CC(C)C[CH]1O[CH](C)CC(C)(C)O1~    3.668
12641 CCCC(=O)CC[C](C)(O)CCC~    7.757
12642 CCCC(C)(C)COC(=O)C(C)C~    2.772
12643 CCCCCCCC(=O)OCCC~    2.772
12645 CCC1(CC)COC(C)(CC)OC1~    3.668
12647 CCCOC(=O)[CH](CC)CC(C)C~    2.772
12648 CCCCCCCCCCC(O)=O~    5.154
12649 CC[CH](CC(C)C)C(=O)OC(C)C~    2.772
12651 CCCC1OCC(CC)(CC)CO1~    3.668
12654 CCCC1(C)COC(C)(CC)OC1~    3.668
12660 CCCCC[C]1(C)OCC[CH](C)O1~    3.668
12662 CCCCCC[CH](C)OC(=O)[CH](C)O~    3.578
12664 CCCCCOC(=O)OCCCCC~    2.223
12665 CCCCCCCCOC(=O)[CH](C)O~    3.578
12666 COC(=O)C[C](C)(O)CCCC(C)C~    7.208
12667 CCC(CC)C(=O)OCC[CH](C)OC~    4.827
12670 CCCCC[C]1(C)OC[CH](COC)O1~    5.721
12671 CCCCCC[CH]1OC[CH](COC)O1~    5.721
12673 CC(C)C[C](C)(O)[C]1(C)OC[CH](C)O1~    8.104
12674 CCCCCC[CH](O)CCOC(C)=O~    7.208
12675 CCCC[CH](CC)COCCC(O)=O~    7.208
12676 C[CH](O)CCCCCCCCC(O)=O~    9.592
12677 CCC[C]1(C)OC[CH](CCCCO)O1~    8.104
12678 CC[CH](CC(C)C)C(=O)OCCOC~    4.827
12679 CCCCCC(=O)OCCOCCOC~    6.879
12680 CCCCCCOCCOC(=O)[CH](C)O~    5.633
12682 CCCCCCC(=O)OC[CH](O)COC~    9.264
12683 CO[CH]1O[C](C)(CC[CH]1C)C(OC)OC~    8.676
12684 CCS(=O)(=O)C(C1CCCCC1)S(=O)(=O)CC~    8.648
12686 CCCCCC[CH]1CCCCN1~    4.027
12687 C1CCC[N+]2(CC1)CCCCC2~   12.429
12689 C[CH]1CCCCC[N+]12CCCC2~   12.429
12690 CC1CC[N+]2(CCCCC2)CC1~   12.429
12692 C[CH]1CC[CH](C(C)C)N(C)CC1~    3.810
12693 CCCCN(CCCC)C(=O)CC~    6.407
12694 CCCN(CCC)CC(C)(C)C=O~    6.613
12695 CCCN(CCC)C(=O)CC(C)C~    6.407
12696 CC(C)CC(=O)N(C(C)C)C(C)C~    6.407
12697 CCCCCCCCNC(=O)CC~    6.625
12698 CCCC[CH](CC)C(=O)NC[CH](C)O~   11.062
12699 CCCCN(CCCC)C[CH](O)C=O~    7.419
12700 CCCCN(CCCC)C(=O)OCC~    5.857
12701 CCCCCCCCNC(=O)[CH](C)O~    7.432
12702 CCCCCCCCCCOC(N)=O~    6.295
12703 CCCCN(CCCC)C(=O)[CH](C)O~    7.214
12704 C[CH](CC[CH](N)C(O)=O)CC(C)(C)C~    7.842
12705 CCCCCCCCN(C)CC(O)=O~    7.405
12706 CCOC(=O)[CH](CCN(CC)CC)OC~    7.527
12707 CN(C)CCCCCCNCCC#N~   10.728
12708 CCCCCCCCC(C)C~   -0.848
12710 CCCN1CCN(CCCO)C[CH]1C~   11.796
12711 CC(C)CN1CCN(CCO)C[CH]1C~   11.796
12712 CN(C)C[CH]1CC[CH](CN(C)C)[CH]1O~   11.796
12713 CCN(CC)C(=O)OCCN(C)C(C)C~    9.409
12715 CCCCCCCCCCSC(N)=N~    7.507
12716 CC(C)CCNC(=S)NCCC(C)C~    5.134
12717 CSC1=NC(=CC(=N1)[N+](C)(C)C)[N+](C)(C)C~   21.301
12718 NC(=N)SCCCCCCCCCSC(N)=N~   15.114
12719 CCCCC(O)(C(C)C)C(C)C~    4.139
12720 CCCCC(O)(CC)CCCC~    4.139
12721 CCCC[C](C)(O)CC(C)(C)C~    4.139
12722 C[CH](CCCCO)CC(C)(C)C~    4.139
12723 CCCC[CH](CC)CC[CH](C)O~    4.139
12724 CCCCCCCCC(C)(C)O~    4.139
12725 CC(C)C(O)(C(C)C)C(C)(C)C~    4.139
12726 CCOCC[CH](CC)CC(C)C~    1.959
12727 CCCCC(O)(CCC)CCC~    4.139
12730 CCOC[CH](C)O[CH](C)COC[CH](C)O~   10.503
12731 CCOC(CC(OCC)OCC)OCC~    7.421
12732 CCCCC(S(=O)(=O)C(C)C)S(=O)(=O)C(C)C~    8.292
12733 CCCCC(CCCC)(S(C)(=O)=O)S(C)(=O)=O~    8.292
12734 COCCOCCOCOCCOCCOC~   11.530
12735 CS(=O)(=O)OCCCCCCCCCOS(C)(=O)=O~    8.672
12736 CCCCCCCCCCCS~    1.353
12738 CC(C)(C)CC(N)CC(C)(C)C~    3.889
12740 CCCC[CH](CC)COCCCN~    5.943
12742 CCC(CC)[CH](O)CCCN(C)C~    7.889
12743 CCCCN(CCCC)[CH](C)CO~    7.889
12744 CC[N+](CC)(CC)CCCC(C)=O~   15.136
12745 CCCCCCCN[CH](C)[CH](C)O~    8.108
12746 CCCCN(CCCC)C[CH](O)CO~    9.327
12747 CCCCOC(OCCCC)[CH](C)N~    7.299
12749 CCCCN(CCCC)CCCN~    7.441
12750 CCCCNCCCNCCCC~    7.441
12751 CCN(CC)CC(O)CN(CC)CC~   11.440
12752 CCN(CC)C[CH](O)CNCC(C)C~   11.660
12753 CN(C)CCCC(=O)OCC[N+](C)(C)C~   18.138
12754 C[N+](C)(C)CCOC(=O)CCCCCN~   18.575
12755 OCCN(CCO)CCCN(CCO)CCO~   15.752
12756 OCC(CO)(CO)NCC(O)CNC(CO)(CO)CO~   20.499
12757 C[N+](C)(C)CCN(CC[N+](C)(C)C)C=O~   23.780
12758 N#CC(=CC1=CC2=C(OCO2)C=C1)C#N~   10.796
12759 O=C1C2=C(N=CN2)C(=O)C3=C1C=CC=C3~   11.654
12760 N#CC1(C#N)[CH]2C[CH](C=C2)C1(C#N)C#N~   14.690
12761 OC(=O)C1=CC(=C(C(O)=O)C(=C1C(O)=O)C(O)=O)C(O)=O~   25.750
12762 O=C1OCC2=C1OC3=C(C=CC=C3)C2=O~    8.352
12764 O=C=NC1=C2C=CC=CC2=CC=C1~    4.644
12765 O=C=NC1=CC2=C(C=CC=C2)C=C1~    4.644
12766 O=C1NC2=CC=CC3=CC=CC1=C23~    9.267
12767 OC1=C2C=CC=CC2=C(SC#N)C=C1~   10.051
12768 O1C=CC=C1C2=NC3=CC=CC=C3S2~    7.542
12770 O=C1N(CC#C)C(=O)C2=C1C=CC=C2~    8.310
12771 [O-][N+](=O)C1=C2C=CC=C(C=O)C2=CC=C1~    8.287
12772 O=C1NC(=S)SC1=CC2=CC3=C(OCO3)C=C2~   11.620
12773 OC(=O)C1=CC(=C2C=CC=CC2=N1)C(O)=O~   15.554
12774 OC(=O)C1=CC=C(C=C1)N2C(=O)C=CC2=O~   12.183
12775 OC(=O)C1=C2C=CC=CC2=CC(=C1)[N+]([O-])=O~   10.379
12776 OC(=O)C1=C(N=C2C=CC=CC2=C1)C(O)=O~   15.554
12777 [O-][N+](=O)C1=CC=C(C=C1)C2=CC=C(O2)C=O~    8.391
12778 O=C1NC(=O)C(S1)=CC2=CC3=C(OCO3)C=C2~    9.917
12780 N#CC(C#N)[CH](C#N)C1=CC=CC=C1~   12.249
12781 O=C1NC(=O)C(=CN1C2=CC=CC=C2)C#N~   12.002
12782 OC1=CC2=C(C=CC=C2)C=C1C(=O)N=[N+]=[N-]~    9.178
12783 OC1=C2N=CN=NC2=NC(=N1)C3=CC=CC=C3~   15.299
12784 [O-][N+](=O)C1=CC=C(SC2=C3N=CNC3=NC=N2)C=C1~   12.750
12785 [O-][N+](=O)C1=CC=C(OC2=C3N=CNC3=NC=N2)C=C1~   12.807
12786 [O-][N+](=O)C1=C(OC2=C3N=CNC3=NC=N2)C=CC=C1~   12.807
12787 N1C=NC2=C1C=CC3=C2C=CC=C3~    7.446
12788 CC(C1=CC=CC=C1)=C(C#N)C#N~    7.668
12789 NC1=CC=C2C=CC=CC2=C1C#N~    8.745
12791 COC1=CC2=C(C=C1)N=C(C=C2)C#N~    9.406
12792 [O-][N+](=O)C1=CC=C(C=C1)C2=CN=CC=C2~    8.670
12793 O=C1NC(=O)C(=CC2=CC=CC=C2)C(=O)N1~   14.762
12794 OC(=O)C1=C(N=C(N1)C2=CC=CC=C2)C(O)=O~   15.932
12795 [O-][N+](=O)C1=CC=C(O1)C(=O)NC2=CC=CC=C2~   11.318
12797 NC(=O)C(=CC1=CC=C(O1)[N+]([O-])=O)C2=CC=CO2~   13.333
12798 OC(=O)C1=C(N=C(N1)C2=CC=C(C=C2)S(O)(=O)=O)C(O)=O~   22.263
12799 N=C1NC2=C3C=CC=CC3=CC=C2S1~    9.924
12800 N#CCC1=CSC(=N1)C2=CC=CC=C2~    9.870
12801 N1C(=NC2=C1N=CN=C2)C3=CC=CC=C3~   10.818
12804 OC1=C2N=CN(C3=CC=CC=C3)C2=NC=N1~   16.124
12806 OC1=NC(=C2N=CN(C3=CC=CC=C3)C2=N1)S~   15.548
12807 OC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)S~   15.556
12808 OC1=C2N=C(NC3=CC=CC=C3)SC2=NC=N1~   17.386
12809 OC1=C2NC(=S)N(C3=CC=CC=C3)C2=NC(=N1)S~   12.622
12811 OC1=NC(=C2N=CN(C3=CC=CC=C3)C2=N1)O~   20.107
12812 COC(=O)C1=C(C=CC=C1)N=NC(C#N)C#N~   13.188
12814 OC1=NC(=C2NC(=S)N(C3=CC=CC=C3)C2=N1)O~   17.181
12815 OC1=NC(=C2NC(=O)N(C3=CC=CC=C3)C2=N1)S~   15.258
12817 [O-][N+](=O)C1=CC=C(C=C1)C(=O)NC2=NC=CC=N2~   11.033
12818 OC(=O)C1=C(N=C(N1)N=NC2=CC=CC=C2)C(O)=O~   17.382
12819 [O-][N+](=O)C1=CC(=CC=C1)C=CC2=C(N=CN2)[N+]([O-])=O~   11.873
12820 [O-][N+](=O)C1=CC(=C(NN=CC2=CC=CS2)C=C1)[N+]([O-])=O~   10.119
12821 O=C(NCNC(=O)N1C(=O)C=CC1=O)N2C(=O)C=CC2=O~   25.712
12823 SC1=C2C=NN(C3=CC=CC=C3)C2=NC=N1~   11.572
12824 N1C=NC2=C(SC3=CC=CC=C3)N=CN=C12~   10.347
12825 SC1=C2N=CN(C3=CC=CC=C3)C2=NC=N1~   11.565
12826 SC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)S~   10.996
12827 SC1=NC(=C2N=CN(C3=CC=CC=C3)C2=N1)S~   10.987
12829 SC1=NC(=C2NC(=S)N(C3=CC=CC=C3)C2=N1)S~    8.062
12830 [O-][N+](=O)C1=CC(=C([N-][N+]2=CC=CC=C2)C(=C1)[N+]([O-])=O)[N+]([O-])=O~   11.719
12831 NC1=C2C=NN(C3=CC=C(C=C3)[N+]([O-])=O)C2=NC=N1~   18.005
12832 [O-][N+](=O)C1=CC=C(NC2=C3N=CNC3=NC=N2)C=C1~   15.815
12834 OC(=O)C1=CC=C(C=C1)N2N=C3NC(=N)NC(=O)C3=N2~   24.115
12835 C(SC1=C2N=CNC2=NC=N1)SC3=C4N=CNC4=NC=N3~   18.162
12836 O=CC1=C2C=CC=CC2=CC=C1~    5.883
12837 O=CC1=CC2=C(C=CC=C2)C=C1~    5.883
12838 O=C(C1=CC=CS1)C2=CC=CC=C2~    5.975
12839 OC1=CC=C2C=CC=CC2=C1C=O~    6.764
12841 O=C(C1=CC=CO1)C2=CC=CC=C2~    5.712
12842 OC1=CC2=C(C=CC=C2)C=CC1=O~    6.810
12844 OC(=O)C1=C2C=CC=CC2=CC=C1O~    8.857
12845 OC(=O)C1=CC=C2C=CC=CC2=C1O~    8.857
12846 OC(=O)C1=CC2=C(C=CC=C2)C=C1O~    8.857
12848 CC1=C(O)C(=O)C2=C(C=CC=C2)C1=O~    8.418
12849 O=C(C=CC1=CC=CO1)C2=CC=CO2~    6.636
12851 CC(=O)C1=CC2=C(OC1=O)C=CC=C2~    8.532
12852 OC(=O)C1=C(OC=C1)C2=CC=CC=C2~    8.080
12853 O=C1OCC(=CC2=CC=CC=C2)C1=O~    8.067
12854 OC(=O)C1=C2C=CC=CC2=CC(=C1O)O~   12.842
12855 CC(=O)C1=C(O)C2=C(OC1=O)C=CC=C2~   12.069
12856 O=C1OC[CH](C1=O)C(=O)C2=CC=CC=C2~   10.387
12857 OC(=O)C1=CC2=CC=CC(=C2C=C1O)O~   12.842
12859 COC1=C2OC(=O)C(=CC2=CC=C1)C(O)=O~   11.717
12860 OC1=CC=CC2=CC(=C(O)C(=C2C1=O)O)O~   14.633
12861 OC(=O)C1=CC2=C(C=CC(=C2)S(O)(=O)=O)C=C1O~   15.188
12862 OC(=O)C1=C(O)C(=C2C=CC=CC2=C1)S(O)(=O)=O~   15.188
12863 OC(=O)C1=CC2=CC=CC(=C2C=C1O)S(O)(=O)=O~   15.188
12865 O=CNC1=C2C=CC=CC2=CC=C1~    9.084
12867 ON=CC1=C2C=CC=CC2=CC=C1~    7.457
12868 COC1=CC2=C(C=O)C=CN=C2C=C1~    9.991
12869 O=C(NC1=CC=CC=C1)C2=CC=CO2~    8.914
12870 CC1=CC=C2C=CC=CC2=C1[N+]([O-])=O~    5.640
12871 CC1=NC(=CC2=CC=CC=C2)C(=O)O1~    5.300
12872 C=CCN1C(=O)C2=C(C=CC=C2)C1=O~    7.530
12874 CC1=CC=C(C=C1)N2C(=O)C=CC2=O~    7.444
12875 OC(=O)C1=CC=C(N1)C2=CC=CC=C2~   10.854
12876 OC(=O)C1=CC=CN1C2=CC=CC=C2~   12.178
12877 OC(=O)C=CC1=CNC2=C1C=CC=C2~   11.672
12880 CC(C1=CC=CC=C1)=C(C#N)C(O)=O~   10.345
12881 CC1=C(C=CC=C1)N2C(=O)C=CC2=O~    7.444
12882 CC(=O)C1=C2C=CC=NC2=C(O)C=C1~   12.886
12883 CC1=CSC(=N1)C2=CC3=C(OCO3)C=C2~    9.424
12884 OC(=O)CSC1=NC2=C(C=CC=C2)C=C1~   11.236
12885 COC1=CC=C(C=C1)C=C2SC(=S)NC2=O~    9.914
12886 OC(=O)COC1=C2N=CC=CC2=CC=C1~   11.670
12889 COC1=CC=C2C=CC=CC2=C1[N+]([O-])=O~    6.910
12890 ONC(=O)OC1=C2C=CC=CC2=CC=C1~   11.544
12892 COC1=CC=C(C=C1)C=C(C#N)C(O)=O~   11.767
12893 CC(=O)CN1C(=O)C2=C(C=CC=C2)C1=O~    9.521
12895 COC1=CC=C(C=C1)N2C(=O)C=CC2=O~    8.714
12896 O=C1CCC(=O)N1C(=O)C2=CC=CC=C2~   10.788
12897 COC1=CC=C(C=C1)N=C2OC(=O)C=C2~    7.327
12899 COC1=C(O)C=CC(=C1)C=C2SC(=S)NC2=O~   13.896
12900 O=C1C[CH](NC(=O)C2=CC=CC=C2)C(=O)O1~   10.684
12902 [O-][N+](=O)C1=CC(=CC=C1)C=C2CCOC2=O~    7.947
12903 OC(=O)C1=C(C=CC=C1)C(=O)OCCC#N~   12.415
12905 COC(=O)CC1=C(SC2=C1C=CC=C2)[N+]([O-])=O~    8.529
12906 COC1=C(O)C=CC(=C1)C=C2SC(=O)NC2=O~   12.192
12908 COC1=CC=C2C(=CC(=O)OC2=C1[N+]([O-])=O)C~    8.595
12909 OS(=O)(=O)C1=CC=C(NC(=O)C2=CC=CO2)C=C1~   15.245
12910 OC(=O)[CH]1CC(=O)O[CH]1C2=CC=CC(=C2)[N+]([O-])=O~   12.614
12911 NC(=S)C1=CC2=C(C=CC=C2)C=C1~    7.417
12912 O=C(NC1=NC=CC=N1)OC2=CC=CC=C2~    7.810
12913 [O-][N+](=O)C1=C(C=CC2=CC=CC=C2)N=CN1~    9.469
12914 NC(=S)NN=C1C=CC(=O)C2=C1C(=CC=C2O)O~   15.635
12916 [O-][N+](=O)C1=CC(=C(C=C1)[N+]2=CC=CC=C2)[N+]([O-])=O~   18.399
12917 [O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=CO2~    9.445
12918 CNC(=O)OC1=C2C=CCC2=C(C=C1[N+]([O-])=O)[N+]([O-])=O~   12.833
12919 NC1=C2C=NN(C3=CC=CC=C3)C2=NC=N1~   15.600
12921 NC1=C2N=CNC2=NC(=N1)C3=CC=CC=C3~   14.268
12922 CC1=NC2=C(C#N)C(=NN2C(=C1)C)CC#N~   13.305
12923 NC1=CC=C(OC2=C3N=CNC3=NC=N2)C=C1~   13.854
12924 OC1=CC=C(NC2=C3N=CNC3=NC=N2)C=C1~   17.395
12926 NC1=NC(=C2N=CN(C3=CC=CC=C3)C2=N1)O~   16.026
12927 NC1=C2NC(=O)NC2=NC(=N1)C3=CC=CC=C3~   17.130
12928 C(NC1=C2N=CC=NC2=NC=N1)C3=CC=CO3~   14.015
12930 OC1=C(O)C=C(NC2=C3N=CNC3=NC=N2)C=C1~   21.378
12931 NC1=NC(=C2N=CN(C3=CC=CC=C3)C2=N1)S~   11.467
12932 C(SC1=C2N=NNC2=NC=N1)C3=CC=CC=C3~   11.138
12933 C(SC1=C2N=CNC2=NC=N1)C3=CC=CC=N3~   13.623
12934 SC1=CC=C(NC2=C3N=CNC3=NC=N2)C=C1~   14.426
12935 C(SC1=C2N=CNC2=NC=N1)C3=CC=CN=C3~   13.623
12936 C(SC1=C2N=CNC2=NC=N1)C3=CC=NC=C3~   13.623
12937 N1C=NC2=C(NN=CC3=CC=CN=C3)N=CN=C12~   16.703
12938 NC1=C2N=C(NC2=NC=N1)N=NC3=CC=C(C=C3)S(O)(=O)=O~   22.048
12939 NC1=NC(=C2N=C(NC2=N1)N=NC3=CC=C(C=C3)S(O)(=O)=O)O~   22.481
12942 C1=CC=C(C=C1)N=NC2=CC=CC=C2~    4.833
12944 C1=NC=CC(=C1)C=CC2=CC=NC=C2~    9.674
12945 NN=C1CC2=CC=CC3=CC=CC1=C23~    7.451
12946 NC1=CC2=C(NC3=CC=CC=C23)C=C1~   10.003
12947 O=NN(C1=CC=CC=C1)C2=CC=CC=C2~    5.917
12948 [O-][N+](=NC1=CC=CC=C1)C2=CC=CC=C2~   11.928
12949 O=C(NC1=CC=CC=N1)C2=CC=CC=C2~   11.796
12950 OC1=CC=C(C=C1)N=NC2=CC=CC=C2~    8.815
12951 O=C(NC1=CC=CC=C1)C2=CC=NC=C2~   11.796
12952 O=NC1=CC=C(NC2=CC=CC=C2)C=C1~    7.959
12953 OC1=CC=C(C=C1)C=CC2=CN=CC=N2~   11.157
12954 O=C(CC1=CC=CC=N1)C2=CC=NC=C2~   11.866
12955 O=C(CC1=CC=CN=C1)C2=CC=CN=C2~   11.866
12956 O=C(CC1=CC=CC=N1)C2=CC=CC=N2~   11.866
12957 COC1=C(OC)C=C(C=C1)C=C(C#N)C#N~   10.319
12958 NC1=CC=C(C=C1[N+]([O-])=O)C2=CC=CC=C2~    7.900
12959 [O-][N+](=O)C1=C(NC2=CC=CC=C2)C=CC=C1~    7.042
12961 CCOC1=CC(=CC=C1O)C=C(C#N)C#N~   12.951
12962 O=C1C[CH]([CH](C#N)C(=O)N1)C2=CC=CC=C2~   11.947
12963 ON=CC(=O)NC1=CC2=C(C=CC=C2)C=C1~   12.141
12964 O[CH](C1=CC=CC=N1)C(=O)C2=CC=CC=N2~   12.674
12966 OC(=O)C1=C(NC2=CC=NC=C2)C=CC=C1~   13.558
12967 NC1=C(C=CC=C1)C2=CC=C(C=C2)[N+]([O-])=O~    9.239
12969 [O-][N+](=O)C1=CC=C(NC2=CC=CC=C2)C=C1~    8.383
12970 OC1=C[N+](=NO1)C2=CC3=C(C=CC=C3)C=C2~   18.070
12971 OC(=O)C1=CC(=CC=C1)NC2=CC=CC=N2~   13.558
12972 CC1=NC(=NC=C1C(O)=O)C2=CC=CC=C2~   11.303
12973 NC1=CC=C2C3=CC=C(N)C=C3S(=O)(=O)C2=C1~   13.963
12974 NC1=CC=C(SC2=CC=C(C=C2)[N+]([O-])=O)C=C1~   10.359
12975 CC(=O)NC1=CC=C2C=CC=CC2=C1[N+]([O-])=O~   10.284
12976 NC1=C(OC2=CC=CC=C2)C=CC(=C1)[N+]([O-])=O~    9.785
12977 NC1=C(OC2=CC=CC=C2)C=C(C=C1)[N+]([O-])=O~    9.785
12978 NC(=O)NC(=O)OC1=C2C=CC=CC2=CC=C1~   10.860
12980 C[CH]1C(=O)N=C(N=C1C(O)=O)C2=CC=CC=C2~   11.480
12981 O=C(CN1C(=O)C2=C(C=CC=C2)C1=O)N3CC3~   12.839
12983 O=C(NC1=NC=CS1)[CH]2COC3=C(O2)C=CC=C3~   14.455
12985 OC(=O)CC1=CC(=O)NN(C1=O)C2=CC=CC=C2~   14.799
12986 CCOC(=O)C(=CC1=C(C=CC=C1)[N+]([O-])=O)C#N~   10.316
12987 OC1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(O)(=O)=O~   15.146
12988 O=C1NC(=S)NC(=O)C1CC2=CC3=C(OCO3)C=C2~   12.963
12989 [O-][N+](=O)C1=C(C=CC=C1)S(=O)(=O)NC2=CC=CC=C2~    9.037
12990 NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O~   12.458
12991 [O-][N+](=O)C1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C=C1~    9.037
12992 [O-][N+](=O)C1=CC=CC(=C1)NS(=O)(=O)C2=CC=CC=C2~    9.037
12993 CC(=O)NC1=CC=C(SC2=CC=C(O2)[N+]([O-])=O)C=C1~   12.848
12994 OC1=C(C=C(C=C1)N=NC2=CC=CC=C2)S(O)(=O)=O~   15.146
12995 O=C1NC(=O)C(CC2=CC3=C(OCO3)C=C2)C(=O)N1~   16.839
12996 OC(=O)CNC(=O)CN1C(=O)C2=C(C=CC=C2)C1=O~   16.654
12997 CCOC(=O)C1=C(O)C2=C(C=C(C=C2)[N+]([O-])=O)N=C1~   11.517
12999 OC1=CC(=C(C=C1)N=NC2=C(O)C=CC(=C2)S(O)(=O)=O)O~   23.111
13001 OS(=O)(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(O)(=O)=O~   17.493
13002 CC1=C(CC#N)SC(=N1)C2=CC=CC=C2~    9.827
13003 N#CCC1=CSC(=N1)CC2=CC=CC=C2~    9.807
13005 C(NC1=NC=CS1)C2=CC3=CC=CC=C3S2~   10.896
13007 NC1=CC2=C(C=C1N)N=C3C=CC=CC3=N2~   14.460
13008 NC1=CC2=C(C=C1)N(N=N2)C3=CC=CC=C3~   12.726
13010 C(N1C=NC2=C1C=NC=N2)C3=CC=CC=C3~    9.466
13011 N#CC1(C#N)C2CCC(CC2)C1(C#N)C#N~   14.511
13014 C(OC1=C2N=CNC2=NC=N1)C3=CC=CC=C3~   11.063
13016 CC1=C(OC2=C3N=CNC3=NC=N2)C=CC=C1~   10.360
13017 CC1=CC(=CC=C1)OC2=C3N=CNC3=NC=N2~   10.360
13019 OC1=C2N(CC3=CC=CC=C3)C=NC2=NC=N1~   13.449
13020 OC1=C2N=CN(CC3=CC=CC=C3)C2=NC=N1~   13.449
13022 CSC1=NC2=C(N=C(O)N=C2S)N1C3=CC=CC=C3~   17.083
13024 OC1=C2N=CN(CC3=CC=CC=C3)C2=C(O)N=N1~   17.439
13026 O=C(NNC(=O)C1=CC=NC=C1)C2=CC=NC=C2~   16.793
13027 [O-][N+](=O)C1=CC=C(NN=CC2=CC=CC=C2)N=C1~   11.674
13028 OC1=C2NC(=S)N(CC3=CC=CC=C3)C2=C(O)N=N1~   17.682
13029 CSC1=NC2=C(N=C(O)N=C2O)N1C3=CC=CC=C3~   21.642
13030 CSC1=C2NC(=O)N(C3=CC=CC=C3)C2=NC(=N1)O~   15.780
13031 [O-][N+](=O)C1=CC=C(NC(=O)NC2=CC=CC=C2)N=C1~   15.241
13032 OC1=C(C=CC=C1)C=NNC2=CC=C(C=N2)[N+]([O-])=O~   15.656
13033 OC1=CC=C(C=C1)C=NNC2=CC=C(C=N2)[N+]([O-])=O~   15.656
13034 NC1=CC=C(C=C1[N+]([O-])=O)C2=CC=C(N)C(=C2)[N+]([O-])=O~   12.415
13036 [O-][N+](=O)C1=CC=C(O1)C(=O)NNC(=S)NC2=CC=CC=C2~   15.036
13037 OS(=O)(=O)C1=C(C=CC=C1)C=NNC2=CC=C(C=N2)[N+]([O-])=O~   18.003
13038 OC(=O)C=CC(=O)NC1=NC(=NC=C1)NC(=O)C=CC(O)=O~   21.883
13039 OC1=C(C=C(C=C1)C=NNC2=CC=C(C=N2)[N+]([O-])=O)S(O)(=O)=O~   21.987
13040 CC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)S~   11.530
13042 CC1=CC(=CC=C1)SC2=C3N=CNC3=NC=N2~   10.304
13043 CC1=C(SC2=C3N=CNC3=NC=N2)C=CC=C1~   10.304
13044 SC1=C2N(CC3=CC=CC=C3)C=NC2=NC=N1~    8.889
13048 C(SC1=NC2=C(N1)N=CN=C2)C3=CC=CC=C3~   12.331
13049 C(SC1=NC2=C(NC=N2)C=N1)C3=CC=CC=C3~   10.740
13050 NC1=C2N=C(SCC3=CC=CC=C3)SC2=NC=N1~   15.775
13051 N1C=NC2=C(NN=CC3=CC=CC=C3)N=CN=C12~   13.818
13052 NC1=NC(=C2N=C(C(=NC2=N1)O)C3=CC=CC=C3)N~   18.263
13053 CC1=NC(=C2C=NN(C3=CC=C(C=C3)[N+]([O-])=O)C2=N1)N~   17.963
13055 NC1=NC2=C(N=CN2)C(=N1)SCC3=C(C=CC=C3)[N+]([O-])=O~   13.046
13056 NC1=NC2=C(N=CN2)C(=N1)SCC3=CC=C(C=C3)[N+]([O-])=O~   13.046
13058 [O-][N+](=O)C1=CC=C(NNC(=O)NC2=CC(=CC=C2)[N+]([O-])=O)N=C1~   20.024
13059 S=C1N(CCSC2=C3N=CNC3=NC=N2)C=NC4=C1N=CN4~   18.396
13061 OC1=C(C=CC=C1)C2=CC=CC=C2~    7.367
13062 OC1=CC=C(C=C1)C2=CC=CC=C2~    7.367
13063 CC(=O)C1=CC2=C(C=CC=C2)C=C1~    6.019
13064 CC(=O)C1=C2C=CC=CC2=CC=C1~    6.019
13066 OC1=CC(=CC=C1)C2=CC=CC=C2~    7.367
13067 O(C1=CC=CC=C1)C2=CC=CC=C2~    3.928
13068 O[CH]1CC2=CC=CC3=CC=CC1=C23~    7.987
13069 O=S(C1=CC=CC=C1)C2=CC=CC=C2~    8.703
13070 OC(=O)CC1=CC2=C(C=CC=C2)C=C1~    8.365
13071 OC1=CC=C(C=C1O)C2=CC=CC=C2~   11.349
13073 CC1=CC2=C(C=C1)C(=O)C(=CC2=O)C~    8.467
13074 CC(=O)C1=CC=C2C=CC=CC2=C1O~    6.903
13075 CCC1=CC(=O)C2=C(C=CC=C2)C1=O~    8.387
13076 OC1=CC=C(C=C1)C2=CC=C(O)C=C2~   11.349
13077 CC(=O)OC1=C2C=CC=CC2=CC=C1~    5.199
13078 OC(=O)CC1=C2C=CC=CC2=CC=C1~    8.365
13079 COC(=O)C1=CC2=C(C=CC=C2)C=C1~    5.470
13080 CC1=CC2=CC=CC(=C2C=C1)C(O)=O~    7.932
13081 COC(=O)C1=C2C=CC=CC2=CC=C1~    5.470
13082 OC1=CC=C(OC2=CC=CC=C2)C=C1~    7.910
13083 COC1=CC=C2C=CC=CC2=C1C=O~    7.110
13085 CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O~    8.315
13087 CC(=O)OC1=CC2=C(C=CC=C2)C=C1~    5.199
13088 CC1=CC2=CC3=C(C=C(C)O3)C=C2O1~    4.206
13089 O=S1(=O)CCC2=C1C=CC3=CC=CC=C23~    7.227
13091 O=S(=O)(C1=CC=CC=C1)C2=CC=CC=C2~    6.604
13094 OC(=O)[CH](C1=CC=CS1)C2=CC=CC=C2~    8.712
13095 OC1=C(SSC2=C(O)C=CC=C2)C=CC=C1~   12.280
13096 OC(=O)COC1=CC2=C(C=CC=C2)C=C1~    8.785
13097 CCC(=O)C1C(=O)C2=CC=CC=C2C1=O~   11.276
13098 OC(=O)COC1=C2C=CC=CC2=CC=C1~    8.785
13100 COC1=C(C)C(=O)C2=C(C=CC=C2)C1=O~    8.693
13101 COC(=O)C1=CC2=C(C=CC=C2)C=C1O~    6.353
13103 O=C1OC(=O)[CH]2[CH]3C=C[CH]([CH]4C=C[CH]34)[CH]12~    4.996
13104 O[CH](C(O)=O)C1=C2C=CC=CC2=CC=C1~    9.172
13107 CCOC(=O)C1=CC2=C(OC1=O)C=CC=C2~    7.860
13109 O=C1OCCC1=CC2=CC3=C(OCO3)C=C2~    8.479
13110 COC1=C2OC(=O)C(=CC2=CC=C1)C(C)=O~    9.759
13116 CC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C~    6.883
13117 OC(=O)C1=CC=C(C=C1)C=C2CCOC2=O~   10.240
13118 OC1=CC=C(C=C1)S(=O)(=O)C2=C(O)C=CC=C2~   14.569
13119 OC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O)C=C2~   14.569
13120 OS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)S(O)(=O)=O~   16.044
13121 OS(=O)(=O)C1=CC=C(SC2=CC=C(C=C2)S(O)(=O)=O)C=C1~   17.164
13122 S(C1=CC=CC=C1)C2=CC=CC=C2~    4.503
13123 S(SC1=CC=CC=C1)C2=CC=CC=C2~    4.315
13124 SC1=CC=C(C=C1)C2=CC=C(S)C=C2~    5.410
13127 NC1=CC=C(C=C1)C2=CC=CC=C2~    6.836
13128 NC1=C(C=CC=C1)C2=CC=CC=C2~    6.836
13129 C(C1=CC=CC=C1)C2=CC=NC=C2~    6.202
13130 NC1=C2C=CC=C3CCC(=C23)C=C1~    5.039
13133 C(C1=CC=CC=C1)C2=CC=CN=C2~    6.202
13134 OC1=CC=C(NC2=CC=CC=C2)C=C1~    9.963
13135 CC(=O)NC1=CC2=C(C=CC=C2)C=C1~    9.220
13136 CC(=O)NC1=C2C=CC=CC2=CC=C1~    9.220
13137 NC1=CC=C(OC2=CC=CC=C2)C=C1~    7.381
13138 NC1=CC(=CC=C1O)C2=CC=CC=C2~   10.818
13139 CC(=O)CC1=NC2=C(C=CC=C2)C=C1~    9.292
13141 NC(=O)CC1=CC2=C(C=CC=C2)C=C1~   10.055
13142 O[CH](C1=CC=CC=C1)C2=CC=CC=N2~   10.638
13143 NC(=O)CC1=C2C=CC=CC2=CC=C1~   10.055
13145 O[CH](C1=CC=CC=C1)C2=CC=CN=C2~   10.638
13146 NC1=C(OC2=CC=CC=C2)C=CC=C1~    7.381
13147 C1NCC2=C(O1)C=CC3=C2C=CC=C3~    7.289
13148 SCC(=O)NC1=CC2=C(C=CC=C2)C=C1~   10.670
13152 CC(=O)NC1=C2C=C(O)C=CC2=CC=C1~   13.203
13153 CCOC(=O)C(=CC1=CC=CC=C1)C#N~    7.910
13154 CC(=O)NC1=C2C=CC=CC2=CC=C1O~   13.203
13155 COC1=C(OC2=CC=CC=N2)C=CC=C1~    7.080
13156 CC(=O)NC1=C2C=CC(=CC2=CC=C1)O~   13.203
13157 CC(C)=C1N=C(OC1=O)C2=CC=CC=C2~    4.777
13158 CC=CC1=C(CC#N)C=C2OCOC2=C1~    8.638
13159 OC(=O)CC1=CC=C(N1)C2=CC=CC=C2~   11.243
13160 CNC(=O)OC1=CC2=C(C=CC=C2)C=C1~    8.503
13161 COC(=O)NC1=C2C=CC=CC2=CC=C1~    8.672
13162 CC1=C(C=C(N1)C2=CC=CC=C2)C(O)=O~   10.810
13163 CCC1=CN=C2C=CC=CC2=C1C(O)=O~   10.693
13166 CC(=C)CN1C(=O)C2=C(C=CC=C2)C1=O~    7.335
13170 CC(=O)C1=CC(=C2C=CC=CN12)C(C)=O~   12.742
13173 O=S(=O)(NC1=CC=CC=C1)C2=CC=CC=C2~    6.633
13175 CCOC(=O)C1=CN=C2C=CC=CC2=C1O~    9.113
13177 CCOC(=O)C1=C2C=CC=CC2=NC(=C1)O~   12.213
13179 CCOC(=O)C(=O)[CH](C#N)C1=CC=CC=C1~   10.509
13180 NC1=C2C=C(OCC(O)=O)C=CC2=CC=C1~   12.237
13181 OC(=O)C=CC(=O)NC1=C(C=C)C=CC=C1~   14.107
13185 OC1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C=C1~   10.616
13186 OC1=C(NS(=O)(=O)C2=CC=CC=C2)C=CC=C1~   10.616
13188 CCOC(=O)C(=O)CC1=NC2=CC=CC=C2S1~   11.285
13190 CCOC1=C(O)C=CC(=C1)C=C2SC(=S)NC2=O~   13.775
13191 COC1=CC2=C(O)C(=C(O)N=C2C=C1)C(C)=O~   11.896
13192 CCOC(=O)CN1C(=O)C2=C(C=CC=C2)C1=O~    8.848
13195 COC1=CC=C(C=C1)C(=O)N2C(=O)CCC2=O~   12.017
13197 CC(=O)C(=CC1=CC=CC(=C1)[N+]([O-])=O)C(C)=O~   11.708
13200 CC(=O)NC1=C2C=CC(=CC2=CC=C1)S(O)(=O)=O~   15.551
13201 CC(=O)NC1=C2C=C(C=CC2=CC=C1)S(O)(=O)=O~   15.551
13202 O=S(=O)(NS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2~    7.287
13204 OC(=O)CC1(CC(O)=O)NC2=C(SC1=O)C=CC=C2~   17.204
13205 CC(=O)NC1=CC2=CC(=CC(=C2C=C1)O)S(O)(=O)=O~   19.533
13207 NC1=C2C=CC(=CC2=CC=C1OCC(O)=O)S(O)(=O)=O~   18.569
13208 CCOC1=CC=C2C(=C1[N+]([O-])=O)C=CC=C2S(O)(=O)=O~   13.119
13209 CC(=O)OC(OC(C)=O)C1=C(C=C2OCOC2=C1)[N+]([O-])=O~   12.810
13210 NC1=CC=C(C=C1)N=NC2=CC=CC=C2~    8.284
13211 N(N=NC1=CC=CC=C1)C2=CC=CC=C2~    7.212
13213 NN=C(C1=CC=CC=C1)C2=CC=CC=N2~   10.104
13214 NC1=CC2=C(NC3=CC=C(N)C=C23)C=C1~   13.455
13216 ON(N=NC1=CC=CC=C1)C2=CC=CC=C2~    8.939
13217 O=C(NNC1=CC=CC=C1)C2=CC=NC=C2~   14.175
13219 COC(=O)NN=CC1=NC2=C(C=CC=C2)C=C1~   11.963
13220 COC(=O)NN=CC1=C2C=CC=CC2=NC=C1~   11.963
13221 CC1=CC(=NNC(N)=O)C2=C(C=CC=C2)C1=O~   13.210
13223 NC(=O)SCC(=O)NC1=C2N=CC=CC2=CC=C1~   13.883
13229 O=C(NNS(=O)(=O)C1=CC=CC=C1)C2=CC=CN=C2~   14.830
13231 [O-][N+](=O)C1=CC=C(NC(=O)NCC2=CC=CO2)C=C1~   12.851
13232 [O-][N+](=O)C1=CC=CC(=C1)NC(=O)NCC2=CC=CO2~   12.851
13234 NS(=O)(=O)C1=CC(=C(NC2=CC=CC=C2)C=C1)[N+]([O-])=O~   11.148
13238 OS(=O)(=O)C1=CC=C(NN=NC2=CC=C(C=C2)S(O)(=O)=O)C=C1~   19.873
13239 NC(=S)NN=CC1=C2C=CC=CC2=CC=C1~    8.478
13240 CC1=CC=C(C=C1)N2N=CC3=C(N)N=CN=C23~   15.558
13241 CNC1=C2C=NN(C3=CC=CC=C3)C2=NC=N1~   15.259
13243 CN(C1=CC=CC=C1)C2=C3N=CNC3=NC=N2~   12.101
13244 CC1=C(NC2=C3N=CNC3=NC=N2)C=CC=C1~   13.370
13245 CC1=CC=C(NC2=C3N=CNC3=NC=N2)C=C1~   13.370
13246 NC1=C2C=NN(CC3=CC=CC=C3)C2=NC=N1~   12.924
13248 CNC1=C2N=CN(C3=CC=CC=C3)C2=NC=N1~   15.252
13249 NC1=C2N=CN(CC3=CC=CC=C3)C2=NC=N1~   12.917
13250 NC1=C2N(CC3=CC=CC=C3)C=NC2=NC=N1~   12.917
13251 C(NC1=C2N=CNC2=NC=N1)C3=CC=CC=C3~   13.907
13252 CC1=NC(=NC(=C1)NC2=CC=C(C=C2)C#N)N~   11.119
13254 COC1=CC(=CC=C1)NC2=C3N=CNC3=NC=N2~   14.640
13256 COC1=CC=C(C=C1)C2=NC3=C(N=CN3)C(=N2)N~   15.496
13258 OC1=C2N=CN(NCC3=CC=CC=C3)C2=NC=N1~   17.304
13259 [O-][N+](=O)C1=CC=C(NNC(=S)NC2=CC=CC=C2)N=C1~   14.983
13260 [O-][N+](=O)C1=CC=C(NNC(=O)NC2=CC=CC=C2)N=C1~   17.620
13261 NC1=C(C=C(C(=C1)N)S(O)(=O)=O)N=NC2=CC(=CC=C2O)[N+]([O-])=O~   24.453
13262 NC1=NC2=C(N=CN2)C(=N1)SCC3=CC=CC=C3~   10.642
13263 SC1=C2C=NNC2=NC(=N1)NCC3=CC=CC=C3~    9.785
13264 NC1=NC(=C2N=CN(CC3=CC=CC=C3)C2=N1)S~    8.790
13266 CSC1=C(NC2=C3N=CNC3=NC=N2)C=CC=C1~   14.947
13267 CSC1=CC=C(NC2=C3N=CNC3=NC=N2)C=C1~   14.947
13268 CC1=NC(=CC=C1)CSC2=C3N=CNC3=NC=N2~   13.580
13270 CC1=CC2=C(C=C1)C=CC(=C2)C~    3.193
13272 NC1=NC(=NC(=N1)C2=C(C=CC=C2)C3=NC(=NC(=N3)N)N)N~   21.939
13273 CC1=CC(=NC=C1)C2=NC=CC(=C2)C~    9.064
13275 NC1=CC=C(C=C1)C2=CC=C(N)C=C2~   10.287
13276 N(NC1=CC=CC=C1)C2=CC=CC=C2~    8.358
13277 CC1=NC(=CC=C1)C2=CC=CC(=N2)C~    9.064
13278 NN(C1=CC=CC=C1)C2=CC=CC=C2~    7.387
13280 C(CC1=CC=NC=C1)C2=CC=NC=C2~    8.963
13282 NC1=C(NC2=CC=CC=C2)C=CC=C1~    9.431
13283 NC1=CC=C(NC2=CC=CC=C2)C=C1~    9.431
13284 C1CCC2=C(C1)N=C3C=CC=CC3=N2~    6.569
13289 NC1=CC=C(OC2=CC=C(N)C=C2)C=C1~   10.833
13291 CC1=C(CC(N)=O)SC(=N1)C2=CC=CC=C2~   13.264
13292 S=C(NCC1=CC=CO1)NC2=CC=CC=C2~    7.812
13293 CC1=C(O)N=C(SCC2=CC=CC=C2)N=C1~   10.513
13294 CN(C)C1=CC=C(C=C1)C=C2SC(=S)NC2=O~   10.484
13295 COC1=CC=C(C=C1OC)[CH](CC#N)C#N~   11.323
13298 O=C(N1CC1)C2=CC=C(C=C2)C(=O)N3CC3~   11.186
13300 CCOC(=O)C1=C2C=CC=CC2=NC(=C1)N~   11.682
13303 O=C1NC(=O)[C]2(CCC3=C(C2)C=CC=C3)N1~    9.963
13304 N[CH](CC1=CC2=C(C=CC=C2)N=C1)C(O)=O~   13.812
13307 CC1=C(CC2=CC=CC=C2)C(=NC(=N1)O)O~   14.507
13308 [O-][N+]1=C2CCCCC2=[N+]([O-])C3=C1C=CC=C3~   16.569
13309 CN(C)C1=CC=C(C=C1)N2C(=O)C=CC2=O~    9.286
13311 [O-][N+]1=C(CCC2=CC=CC=[N+]2[O-])C=CC=C1~   18.963
13312 NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2~   10.085
13313 NC1=CC=CC(=C1)S(=O)(=O)NC2=CC=CC=C2~   10.085
13314 NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(N)C=C2~   13.507
13315 NC1=CC=CC(=C1)S(=O)(=O)C2=CC(=CC=C2)N~   13.507
13316 NC1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C=C1~   10.085
13319 CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2~   13.783
13323 CC1=NN(C(=O)CC1)C2=CC=C(C=C2)C(O)=O~   11.618
13324 CCOC(=O)C1=CN=C2C=CC(=CN2C1=O)C~   11.332
13325 CCOC1=CC=C(C=C1)C=C2NC(=O)NC2=O~   11.216
13326 CCOC(=O)CC1=NC2=C(C=CC=C2)N=C1O~   12.987
13328 [O-][N+](=O)C1=CC=C(C=C1)N=C[CH]2CCC=CO2~    6.341
13329 CCOC(=O)C1=NN(C(=O)C1)C2=CC=CC=C2~    8.369
13330 CC(=O)CCN1NC(=O)C2=C(C=CC=C2)C1=O~   13.077
13332 O=C1N=C(SC1=CC2=CC=CO2)N3CCOCC3~   14.167
13333 OC(=O)[CH](CSCC#N)NC(=O)C1=CC=CC=C1~   17.373
13335 CC1=CSC=[N+]1CC(=O)C2=CC(=CC=C2)[N+]([O-])=O~   16.324
13336 NC1=CC(=C(NC2=CC=CC=C2)C=C1)S(O)(=O)=O~   15.762
13337 CCOC(=O)C(CC1=NC2=CC=CC=C2S1)=NO~   11.682
13339 ONC(=O)[CH](CC1=CNC2=C1C=CC=C2)C(O)=O~   20.532
13340 CC(=O)NCC(=O)C=CC1=CC=C(C=C1)[N+]([O-])=O~   13.513
13341 OCCNC(=O)CN1C(=O)C2=C(C=CC=C2)C1=O~   17.140
13342 NC(=O)NC(=O)C=CC(=O)OCC1=CC=CC=C1~   14.162
13344 OC(=O)CC[C]1(NC(=O)NC1=O)C2=CC=CC=C2~   14.780
13345 O=C1C=CC(=O)N1CCCCN2C(=O)C=CC2=O~   17.411
13346 CCC1(OC2=CC=CC=C2)C(=O)NC(=O)NC1=O~   14.203
13347 CCOC(=O)C(=[N+]=[N-])C(=O)COC1=CC=CC=C1~    7.359
13352 NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(O)(=O)=O~   16.415
13354 OS(=O)(=O)CNC(=O)CCN1C(=O)C2=C(C=CC=C2)C1=O~   18.100
13355 NC1=CC=C(C=C1S(O)(=O)=O)C2=CC(=C(N)C=C2)S(O)(=O)=O~   22.947
13357 OS(=O)(=O)C1=CC=C(NNC2=CC=C(C=C2)S(O)(=O)=O)C=C1~   21.019
13358 NC1=CC(=C(SC2=C(C=C(N)C=C2)S(O)(=O)=O)C=C1)S(O)(=O)=O~   24.068
13359 OC(=O)CC[CH](NC(=O)C1=CC(=CC=C1)[N+]([O-])=O)C(O)=O~   19.428
13360 OC(=O)CC[CH](NC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(O)=O~   19.428
13362 CCOC(=O)[CH](C(C)=O)C1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~   12.706
13363 CC(=O)NC1=C2C=C(C(=CC2=C(N)C=C1)S(O)(=O)=O)S(O)(=O)=O~   25.333
13365 NC(=N)SCC1=C2C=CC=CC2=CC=C1~   10.719
13367 C(CN=CC1=CC=CS1)N=CC2=CC=CS2~    6.088
13368 NC1=C(SSC2=C(N)C=CC=C2)C=CC=C1~   11.218
13370 NC1=CC=C(C=C1)N=NC2=CC=C(N)C=C2~   11.735
13372 CC(=O)NC1=C(C=NN1C2=CC=CC=C2)C(N)=O~   17.000
13373 CC1=CC(=NC(=N1)N)SCC2=CC=C(C=C2)[N+]([O-])=O~    8.836
13376 NC1=CC(=C(O)C=C1)N=NC2=CC=C(C=C2)S(N)(=O)=O~   16.373
13377 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CN=CC=N2~   15.839
13379 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(N)N=CC=N2~   19.185
13381 NS(=O)(=O)C1=CC=C(C=C1)N=NNC2=CC=C(C=C2)S(O)(=O)=O~   17.648
13382 CNNC1=C2C=NN(C3=CC=CC=C3)C2=NC=N1~   17.638
13383 NC1=C2N=C(NCC3=CC=CC=C3)NC2=NC=N1~   17.357
13384 CC1=CC=C(C=C1)N2C=NC3=C(N)N=C(N)N=C23~   15.452
13385 NNC1=C2N=CN(CC3=CC=CC=C3)C2=NC=N1~   15.297
13390 COC1=CC=C(COC2=NC(=NC3=C2N=NN3)N)C=C1~   12.590
13391 N=C(NN=CC1=CC=CO1)C(=N)NN=CC2=CC=CO2~   13.365
13392 O=C1N(CCC#N)C(=O)N(CCC#N)C(=O)N1CCC#N~   22.812
13393 CC1=CC=CC(=N1)CSC2=NC(=NC3=C2N=CN3)N~   13.483
13395 CCOC1=CC2=C(C=CC=C2)C=C1~    4.384
13396 CCOC1=C2C=CC=CC2=CC=C1~    4.384
13397 OCCC1=CC2=C(C=CC=C2)C=C1~    7.550
13398 OCCC1=C2C=CC=CC2=CC=C1~    7.550
13399 CC1=CC=C(C=C1)C=C2CCOC2=O~    5.500
13400 CC1=C(CCC2=C1C=CC=C2)C(O)=O~    7.810
13401 C=CC(=O)OCC=CC1=CC=CC=C1~    5.264
13402 C=CCOC(=O)C=CC1=CC=CC=C1~    5.264
13403 COC1=CC2=C(C=C1)C=CC(=C2)OC~    5.735
13404 C=CCC1=C(OC(=O)C=C)C=CC=C1~    4.305
13405 CC(=O)C(=CC1=CC=CC=C1)C(C)=O~    9.305
13406 CC1=CC2=C(O)C=CC(=C2C=C1C)O~   11.159
13407 OCCOC1=CC2=C(C=CC=C2)C=C1~    8.821
13409 OC(=O)C(CC1=CC=CS1)CC2=CC=CS2~    8.730
13410 C[CH]1[CH](CC2=C(C=CC=C2)C1=O)C(O)=O~   10.203
13411 COC1=CC=C(C=C1)C=C2CCOC2=O~    6.772
13412 C[CH]([CH]1CC(=O)OC1=O)C2=CC=CC=C2~    5.650
13413 C[CH]1[CH](CC(=O)C2=C1C=CC=C2)C(O)=O~   10.203
13414 CC1=CC(=C(C=C1)C(=O)C=CC(O)=O)C~   10.530
13415 COC1=CC(=O)O[CH]1C2=CC=C(C)C=C2~    6.400
13416 CC(=O)CC(=O)CC(=O)C1=CC=CC=C1~   11.353
13421 COC1=CC=C2CC(=CC2=C1OC)C(O)=O~   10.585
13422 COC(=O)C=CC1=C(OC(C)=O)C=CC=C1~    7.303
13423 COC1=C(O)C=CC(=C1)C=C2CCOC2=O~   10.754
13424 CCOC(=O)C(C=O)(C=O)C1=CC=CC=C1~   10.799
13425 CCOC(=O)C(=O)CC(=O)C1=CC=CC=C1~    9.910
13426 COC1=CC=C(C[CH]2CC(=O)OC2=O)C=C1~    7.001
13427 OC(=O)C=C(CCC1=CC=CC=C1)C(O)=O~   12.644
13429 COC(=O)C=CC1=CC=C(OC(C)=O)C=C1~    7.303
13431 CCC1=C(O)C(=C2OC(=O)C=CC2=C1)OC~   10.203
13432 OC(=O)C1=C(O)C(=C2CCCCC2=C1)C(O)=O~   12.567
13433 CCOC1=CC2=C(C(=O)OC2=O)C(=C1)OCC~    7.408
13434 COC1=C(OC(C)=O)C=CC(=C1)C=CC(O)=O~   11.036
13435 CC(=O)OC1=CC(=C(OC(C)=O)C=C1)OC(C)=O~    8.028
13437 CC(=O)OC1=CC=CC(=C1OC(C)=O)OC(C)=O~    8.028
13438 CC(=O)OC(OC(C)=O)C1=CC2=C(OCO2)C=C1~   10.407
13440 CCNC1=C2C=CC=CC2=CC=C1~    6.266
13442 C1CCC2=C(C1)NC3=CC=CC=C23~    6.077
13443 N#CC1(CCCC1)C2=CC=CC=C2~    5.471
13444 CNCC1=C2C=CC=CC2=CC=C1~    6.883
13445 CCOC1=CC=C2C=CC=CC2=C1N~    7.836
13446 N#CC1(CCOCC1)C2=CC=CC=C2~    8.426
13447 O=N[CH]1CC=CC[CH]1C2=CC=CC=C2~    4.538
13449 C1C[CH](OC=C1)C=NC2=CC=CC=C2~    3.936
13450 C[CH](N)C1=C2C=CC=CC2=CC=C1O~   11.084
13451 CNCC1=C2C=CC=CC2=CC=C1O~   10.866
13452 C1C[CH]2OC(S[CH]2C1)=NC3=CC=CC=C3~    7.160
13453 CC1=CSC=[N+]1CC(=O)C2=CC=CC=C2~   13.921
13454 CC1=CC=[N+](CC(=O)C2=CC=CS2)C=C1~   13.921
13455 CC1=CC=C[N+](=C1)CC(=O)C2=CC=CS2~   13.921
13456 C[C](O)(CC1=CC=CN=C1)C2=CC=CS2~   10.658
13458 CCCCN1C(=O)C2=C(C=CC=C2)C1=O~    7.280
13459 CC(C)(OC(=O)NC1=CC=CC=C1)C#C~    8.076
13461 O=C(CC#N)OCCCC1=CC=CC=C1~    7.987
13462 COC1=CC2=CC=NC(=C2C=C1OC)C~    8.575
13463 CC1=C2C=C(OCCO)C=CC2=NC=C1~   11.662
13464 C=CCN1C(=O)[CH]2[CH]3C[CH](C=C3)[CH]2C1=O~    7.288
13465 CCOC(=O)[CH](CC1=CC=CC=C1)C#N~    7.987
13467 CC1=C(CC(O)=O)C2=C(N1)C(=CC=C2)C~   11.053
13468 CC1=CC=C(C)C2=C1NC=C2CC(O)=O~   11.053
13471 CC1=C(C)C2=C(C=C1)C(=CN2)CC(O)=O~   11.053
13472 CCOC(=O)C1=CC2=CC(=CC=C2N1)C~    8.078
13473 CCOC(=O)CC1=CNC2=C1C=CC=C2~    8.510
13474 O=C1CCC(=O)N1CCC2=CC=CC=C2~    8.225
13479 CC1(C)OC(=O)N(CC2=CC=CC=C2)C1=O~    6.827
13480 CCOC(=O)C1=CC2=C(N1)C=CC(=C2)OC~    9.349
13481 COC1=NC2=C(C=C1)C=C(OC)C(=C2)OC~    8.886
13482 C=CCNC(=O)[CH]1COC2=C(O1)C=CC=C2~   10.588
13484 CCOC(=O)C(=CC1=NC=CC=C1)C(C)=O~   11.516
13488 CCOC1=CC=C2C=C(C=CC2=C1N)S(O)(=O)=O~   14.166
13489 CC[CH](C)C(=O)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O~    7.186
13490 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(C)=O~   12.592
13491 COC1=C(OC)C(=C2C(=O)OCC2=C1)NC(C)=O~   13.292
13493 CC1=CC=C(C=C1)S(=O)(=O)N2[CH](CCC2=O)C(O)=O~   12.541
13497 COC1=CC(=C(C=C1OC)[N+]([O-])=O)[CH](CC(O)=O)C(O)=O~   17.220
13498 CC1=C(C(=NC(=N1)N)C)C2=CC=CC=C2~    6.466
13500 NC(=N)NCC1=C2C=CC=CC2=CC=C1~   12.393
13501 NC1=CC=C(NC2=CC=C(N)C=C2)C=C1~   12.883
13502 C(CC1=CC=CC=N1)NC2=CC=CC=N2~   12.115
13503 O[CH](CNC1=NC=CC=N1)C2=CC=CC=C2~   10.502
13506 O=C1C=C(N2CC2)C(=O)C(=C1N3CC3)N4CC4~   15.034
13507 [O-][N+](=O)C1=CC=C(NC2(CCCC2)C#N)C=C1~   11.028
13508 CCN1C(=O)CN(N=CC2=CC=CC=C2)C1=O~    9.005
13509 NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)N~   13.536
13510 CC(=NNS(=O)(=O)C1=CC=C(N)C=C1)C2=CC=CS2~   10.635
13511 CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(N)C=C2~   17.234
13512 COC(=O)CCC1=CC=C(NC(=O)C=[N+]=[N-])C=C1~    9.706
13513 COC(=O)CCC1=CC=C(C=C1)C(=O)CN=[N+]=[N-]~    8.785
13514 CCOC1=CC(=CC=C1O)C=NNC(=O)CC#N~   17.087
13515 NC1(CCC2=CC=CC=C2)C(=O)NC(=O)NC1=O~   16.470
13517 NC1=CC=C(NC2=C(C=C(N)C=C2)S(O)(=O)=O)C=C1~   19.213
13518 O[CH](C=NNC(=O)C1=CC=NC=C1)[CH]2OC(=O)[CH](O)[CH]2O~   17.401
13519 CC1=CC(=NC(=N1)N)SCC2=CC=CC=C2~    6.432
13520 CSC1=C(C2=CC=CC=C2)C(=NC(=N1)N)SC~    6.442
13521 NC(=N)NC(=N)NC1=CC2=C(C=CC=C2)C=C1~   17.069
13523 OC[CH]1O[CH]([CH](O)[CH]1O)N2C=NC3=C(SCC#N)N=CN=C23~   21.830
13524 NS(=O)(=O)C1=CC=C(NN=NC2=CC=C(C=C2)S(N)(=O)=O)C=C1~   15.424
13525 CCOC(=O)[CH](N=NC1=NC2=C(N1)N(C)C(=O)N(C)C2=O)C#N~   18.321
13527 C1CCC(=CC1)C2=CC=CC=C2~    2.278
13528 CN(C)C1=CC2=C(C=C1)N=C(C)C=C2~    7.917
13530 CC1=CC(=C2C=CC(=C(N)C2=N1)C)C~    9.485
13531 C(C[N+]1=CC=NC=C1)C2=CC=CC=C2~   11.176
13534 C1C[N+]2=C(C=CC=C2)C3=[N+]1C=CC=C3~   12.848
13535 CC1(C)NC(=O)N=C[CH]1C2=CC=CC=C2~    7.370
13536 COC1=CC2=C3N(CCC2)C(=NC3=C1)C~    6.481
13537 CN(C)CC(=O)[CH](C#N)C1=CC=CC=C1~   10.785
13538 C(CC1=CC=CC=N1)NCC2=CC=CO2~    9.726
13539 CC(=O)NC1=C[N+](=C2C=CC=CC2=C1)C~   16.775
13541 C[CH]1CN(CC2=CC=CC=C2)C(=S)NC1=O~    9.932
13543 CCC[C]1(NC(=O)NC1=O)C2=CC=CC=C2~    9.529
13546 C[C](N)(CC1=CNC2=C1C=CC=C2)C(O)=O~   13.580
13547 C=CCNC(=O)NC(=O)CC1=CC=CC=C1~   10.600
13549 COC1=CC=C(C=C1)N2N=C(C)CCC2=O~    8.150
13550 CCOC(=O)CCC1=NC2=CC=CC=C2N1~    8.770
13551 C[C]1(CCC2=CC=CC=C2)NC(=O)NC1=O~    9.529
13552 CCN1C(=O)N[C](C)(C1=O)C2=CC=CC=C2~    9.310
13553 COC(=O)[CH](N)CC1=CNC2=C1C=CC=C2~   11.198
13554 CC[C]1(NC(=O)N(C)C1=O)C2=CC=CC=C2~    9.310
13555 CCCCN1C(=O)C2=C(C(=CC=C2)N)C1=O~   10.730
13556 CCC1(C(=O)NCNC1=O)C2=CC=CC=C2~    9.712
13557 C[CH]1CN(CC2=CC=CC=C2)C(=O)NC1=O~   10.609
13558 CC(=O)NC1=C2CCCC2=NC(=C1)OC(C)=O~   13.159
13559 COC1=CC(=C(NC(C)=O)C=C1OC)CC#N~   14.005
13560 [O-][N+](=O)C1=CC=CC(=C1)C(=O)N2CCCCC2~   10.363
13561 [O-][N+](=O)C1=CC=C(C=C1)C(=O)N2CCCCC2~   10.363
13562 CCOC(=O)[CH](N=NC1=CC=CC=C1)C(C)=O~    8.606
13563 COC(=O)[CH](N=NC1=CC=C(C)C=C1)C(C)=O~    8.686
13565 CC[C]1(CN(C(N)=O)C(=O)O1)C2=CC=CC=C2~   10.279
13567 CC(CCC(O)=O)=NNC1=CC=C(C=C1)C(O)=O~   14.750
13568 CCOC(=O)C1=C(C)C(=C(N1)C#N)C(=O)OCC~   11.150
13572 OC(=O)C1(CCCC1)NC2=CC=C(C=C2)[N+]([O-])=O~   11.475
13574 CCN(CC)C(=O)N1C(=O)C2=CC=CC=C2S1(=O)=O~    9.996
13576 OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C2CCCCC2~    7.256
13577 CCN(CC)C(=O)C1=C(C=C2OCOC2=C1)[N+]([O-])=O~   13.064
13579 COC1=CC(=CC(=C1OC)OC)C(=O)NN=CC(O)=O~   15.740
13580 C(CC1=CC=CC=N1)NCC2=CC=CS2~    9.991
13583 NNC1=CC=C(C=C1)C2=CC=C(NN)C=C2~   15.045
13584 CN(C1=CC=CC=C1)C2=CC(=NC(=N2)N)C~    7.793
13585 CC1=CC=C(NC2=CC(=NC(=N2)N)C)C=C1~    9.061
13586 CC1=CC(=CC=C1)NC2=CC(=NC(=N2)N)C~    9.061
13588 CN1CCC2(CC1)[CH](C#N)C(=O)NC(=O)[CH]2C#N~   17.529
13589 CC1=NC(=NC(=C1)C)NS(=O)(=O)C2=CC=C(N)C=C2~    9.714
13590 CC1=NC(=C(C)N=C1)NS(=O)(=O)C2=CC=C(N)C=C2~   13.265
13591 CC1=CN=C(NS(=O)(=O)C2=CC=C(N)C=C2)N=C1C~    9.714
13593 CCOC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(N)C=C2~    9.947
13594 [O-][N+](=O)C1=CC(=C(NN=C2CCCCC2)C=C1)[N+]([O-])=O~    8.502
13595 CCOC(=O)[CH](C#N)C(=N)C(=N)[CH](C#N)C(=O)OCC~   15.573
13596 COC1=NC(=NC(=C1)OC)NS(=O)(=O)C2=CC=C(N)C=C2~   10.336
13597 NC(=O)SCC(=O)NC1=C(NC(=O)CSC(N)=O)C=CC=C1~   22.648
13599 NC(=O)SCC(=O)NC1=CC=C(NC(=O)CSC(N)=O)C=C1~   22.648
13600 NC1=C(SSC2=CC(=CC=C2N)S(N)(=O)=O)C=C(C=C1)S(N)(=O)=O~   19.429
13601 NNS(=O)(=O)C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)NN)C=C1~   16.900
13602 COC(=O)CCC(C)=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~   11.015
13603 NC(=O)NC(=O)C=CC(=O)OCCOC(=O)C=CC(=O)NC(N)=O~   28.083
13605 CC1=NC(=NC(=C1)C)N=NC2=NC(=CC(=N2)C)C~   11.194
13606 COC1=CC(=C2N=CC=CC2=C1)NC(=N)NC(N)=N~   21.180
13609 CC1=C(C)C=C(NC2=C(N=O)C(=NC(=N2)N)N)C=C1~   14.493
13610 CCCN1C=NC2=C(SC3=C(N=CN3C)[N+]([O-])=O)N=C(N)N=C12~   12.907
13612 C[CH]1CC(=O)C2=C(C=CC=C2)[CH]1C~    4.951
13613 O=C(C1CCCC1)C2=CC=CC=C2~    4.873
13614 CC(C)C(=O)C=CC1=CC=CC=C1~    5.686
13616 O=C1CCCC[CH]1C2=CC=CC=C2~    5.384
13619 O=C1CCC(CC1)C2=CC=CC=C2~    5.384
13620 CC1=CC(=C(C(=C1)C)C(=O)C=C)C~    5.158
13621 CC1(C)CCC(=O)C2=C1C=CC=C2~    4.951
13622 CC(C)C1=CC=C(C=CC(O)=O)C=C1~    7.599
13623 CCCC(=O)CC(=O)C1=CC=CC=C1~    7.936
13625 C=CCOC1=C(OCC=C)C=CC=C1~    4.488
13626 CC=CC(=O)OCCC1=CC=CC=C1~    4.810
13627 O=C(OC1CCCC1)C2=CC=CC=C2~    4.323
13628 OC(=O)C1(CCCC1)C2=CC=CC=C2~    7.218
13629 CCOC(=O)C=C(C)C1=CC=CC=C1~    5.065
13631 C1CCC2(CC1)OC3=C(O2)C=CC=C3~    4.943
13632 CC1=C(C)C[CH]2[CH](C1)C(=O)C=CC2=O~    7.842
13634 OC(=O)CC1=C2CCCCC2=CC=C1~    7.379
13635 CC(=O)C(CC1=CC=CC=C1)C(C)=O~    8.447
13637 CCOC(=O)C(C)=CC1=CC=CC=C1~    5.065
13638 CC(=O)CCCC(=O)C1=CC=CC=C1~    7.936
13639 CC=C[CH]1OC[CH](O1)C2=CC=CC=C2~    5.432
13641 O=C(C=CC1=CC=CO1)C2CCCC2~    5.796
13644 CC[CH](C(=O)OC)C(=O)C1=CC=CC=C1~    7.385
13645 COC1=C(OC(C)=O)C=CC(=C1)CC=C~    5.255
13646 CC1=CC(=C(C)C=C1)C(=O)CCC(O)=O~    9.928
13647 O=C(OC[CH]1CCCO1)C2=CC=CC=C2~    7.277
13648 CCOC(=O)[CH](C(C)=O)C1=CC=CC=C1~    7.900
13649 CC(=C)C[CH](O)C1=CC2=C(OCO2)C=C1~    9.161
13652 OC(=O)CCCCC(=O)C1=CC=CC=C1~    9.767
13653 C=CC(=O)OCCOCC1=CC=CC=C1~    6.936
13654 COC1=CC=CC(=C1OC)C=CC(C)=O~    8.388
13655 CCOC(=O)CC(=O)CC1=CC=CC=C1~    7.900
13656 COC1=CC(=CC(=C1O)CC=C)C(C)=O~   10.058
13657 COC1=CC(=O)[CH]2CC=CC[C]2(C)C1=O~    8.290
13659 OC(=O)[CH](C1=CC=CC=C1)C2(O)CCC2~   11.656
13660 CCC=CC1=C(OCC(O)=O)C=CC=C1~    7.747
13662 COC(=O)CCC1=CC=C(C=C1)C(C)=O~    7.466
13664 CCOC(=O)[CH]1O[C]1(C)C2=CC=CC=C2~    6.541
13665 COC1=CC2=C(OCO2)C=C1CC(C)=C~    6.075
13666 CCOC1=C(CC=C)C=C2OCOC2=C1~    6.147
13668 CC(C)=C1[CH]2CC[CH]1[CH]3[CH]2C(=O)OC3=O~    4.442
13670 OC(=O)C1(CCCC1)C2=CC=CC(=C2)O~   11.201
13671 CCCC(=O)OC1=CC=C(C=C1)C(C)=O~    6.682
13673 CC(=O)CCC1=C(OC(C)=O)C=CC=C1~    7.194
13674 CC1=CC(=C(O[CH]2CCOC2=O)C=C1)C~    5.417
13675 COC(=O)CCC1=CC=C(C=C1)[CH]2CO2~    7.471
13677 COC1=C(OC(C)=O)C=CC(=C1)C=CC~    5.511
13678 CC(=O)CCSC1=CC=C(OC(C)=O)C=C1~    8.772
13679 COC(=O)C=CC1=CC(=C(OC)C=C1)OC~    7.839
13680 CC[CH](OC(C)=O)C1=CC2=C(OCO2)C=C1~    7.538
13681 C1O[CH]1COC2=CC=C(OC[CH]3CO3)C=C2~    9.553
13682 CC(=O)OC(C)(C)C(=O)OC1=CC=CC=C1~    5.714
13683 CCCCOC(=O)C1=C(C=CC=C1)C(O)=O~    8.788
13684 CCOC(=O)C1=C(C=CC=C1)C(=O)OCC~    6.405
13685 COC1=C2OCOC2=C(OC)C(=C1)CC=C~    7.498
13686 CC(=O)OC1=C(C)C=C(C=C1C)C(=O)CO~    7.650
13687 OC(=O)[CH]1[CH]2C[CH](C=C2)[CH]1C(=O)OCC=C~    8.796
13689 CCOC(=O)C=CC1=CC=C(O)C(=C1)OC~   10.471
13690 C[CH]1O[CH](O[CH]1C)C2=CC3=C(OCO3)C=C2~    8.433
13691 COC(=O)CCC(=O)C1=CC=C(OC)C=C1~    8.738
13693 CC1=CC=C(C[CH](CC(O)=O)C(O)=O)C=C1~   12.194
13695 CC(C)C(=O)OCC1=CC2=C(OCO2)C=C1~    7.538
13696 CC(=O)OC[CH]1CO[CH](O1)C2=CC=CC=C2~    8.245
13697 CCOC(=O)CC1(C)OC2=CC=CC=C2O1~    7.457
13699 COC1=CC(=CC(=C1C=CC(O)=O)OC)C~   10.302
13700 CC(=O)OC[CH](OC(C)=O)C1=CC=CC=C1~    7.350
13701 COC1=CC=C(C=C(C)C(O)=O)C=C1OC~   10.149
13702 COC1=C(OCC(O)=O)C=CC(=C1)CC=C~    8.842
13706 COC1=CC=C(OCC(=O)OCC=C)C=C1~    6.380
13707 C[CH]1CO[CH](O1)C2=CC=CC(=C2)OC(C)=O~    7.541
13708 O=C(CCCCC(=O)OCC#C)OCC#C~    7.333
13709 OC(=O)[CH]([CH]1CCS(=O)(=O)C1)C2=CC=CC=C2~   11.412
13710 COC1=CC=C(C=C1OC)C(=O)CCC(O)=O~   12.470
13711 CC(=O)OCCOCC1=CC2=C(OCO2)C=C1~    9.592
13712 COC1=C(C[CH](CC(O)=O)C(O)=O)C=CC=C1~   13.465
13713 COC1=C(OC)C(=C(C=C1)C(C)=CC(O)=O)O~   14.132
13714 COC1=CC(=C(C=C1)C(=O)CCC(O)=O)OC~   12.470
13715 COC1=C(C=CC=C1)C(OC(C)=O)OC(C)=O~    8.701
13716 C=CC(=O)OCC(COC(=O)C=C)OC(=O)C=C~    9.590
13718 CC(=O)O[CH]1O[CH]2[CH](OC(=O)[CH]2OC(C)=O)[CH]1OC(C)=O~   14.073
13719 CCC(CC)(C#N)C1=CC=CC=C1~    5.116
13720 CC[N+]1=C2C=CC=CC2=CC=C1C~   10.668
13722 CCC[N+]1=C2C=CC=CC2=CC=C1~   10.587
13723 C1CCC(CC1)=CC2=CC=CC=N2~    5.038
13727 CCN(C(=O)C=CC)C1=CC=CC=C1~    6.857
13728 CN(C)C1=CC=C(C=CC(C)=O)C=C1~    7.730
13729 CN1CCC(=CC1)C2=CC=C(O)C=C2~    9.812
13731 CC(C)(NC(=O)C1=CC=CC=C1)C=C~    7.947
13735 C[CH](O)C[N+]1=C2C=CC=CC2=CC=C1~   15.024
13737 CC(=O)NC1=C2CCCCC2=CC=C1~    8.234
13738 CCCNC(=O)C=CC1=CC=CC=C1~    8.991
13739 CC(=NO)C1=CC2=C(CCCC2)C=C1~    6.348
13741 CC1=CC(=CC(=C1O)C(C)(C)C)SC#N~    8.585
13743 CC(=O)CC(=O)NC1=C(C)C=C(C)C=C1~   11.296
13744 CCOC(=O)C=C(C)NC1=CC=CC=C1~    7.642
13745 OC1=C(C=CC=C1)C(=O)N2CCCCC2~    8.842
13746 CC(C)N1C(=O)[CH]2[CH]3C[CH](C=C3)[CH]2C1=O~    7.161
13749 [O-][N+](=O)C1=CC=C(C=C1)C2CCCCC2~    4.371
13752 O=C(OC1CCCCC1)C2=CC=CN=C2~    7.083
13753 COC1=CC=C(C=CC(=O)N(C)C)C=C1~   10.123
13754 CCC[CH](C(N)=O)C(=O)C1=CC=CC=C1~   11.457
13755 C[CH]1CC2=C(C=C3OCOC3=C2)C=[N+]1C~   14.674
13756 COC1=CC2=C(C=C1OC)C(=NCC2)C~    6.053
13757 C[CH]1CC2=C(CN1C)C=C3OCOC3=C2~    8.656
13758 C1O[CH]1CN(C[CH]2CO2)C3=CC=CC=C3~    8.896
13759 CN(C)C(=O)OCC=CC1=CC=CC=C1~    7.951
13760 COC1=CC2=C(C=N[CH](C)C2)C=C1OC~    6.053
13761 CC1=C(OCC=C)C(=CC(=C1)C(N)=O)C~    9.680
13763 CC1=CC=CC(=C1)C(=O)N2CCOCC2~   10.093
13764 CC1=CC=C(C=C1)C(=O)N2CCOCC2~   10.093
13765 O=C(CC1=CC=CC=C1)N2CCOCC2~   10.526
13766 CC(=O)NCCC1=CC=C(C=C1)C(C)=O~   11.320
13767 CC(C)(C)C(=O)CC(=O)C1=CC=NC=C1~   10.695
13768 CC(C)(C)C(=O)CC(=O)C1=CC=CN=C1~   10.695
13769 CC(C)OC(=O)NC1=CC(=CC=C1)C=C~    7.706
13770 [O-][N+](=O)C1=C(C=CC=C1)C2CCCCC2~    4.371
13771 O=C(CN1CCOCC1)C2=CC=CC=C2~    9.177
13772 COC1=CC2=C(CCCCC2=NO)C=C1~    7.618
13773 O[CH]1CCC[CH]1OC(=S)NC2=CC=CC=C2~   10.504
13774 OC1=CC(=CC=C1)CC(=S)N2CCOCC2~   11.747
13775 OC1=C(C=C(C=C1)[N+]([O-])=O)C2CCCCC2~    8.353
13778 C[CH]([CH](C)C(=O)NC1=CC=CC=C1)C(O)=O~   12.971
13779 CCOC(=O)[CH](CC)C(=O)C1=CC=CN=C1~   10.146
13781 CCNC(=O)[CH](C(=O)OC)C1=CC=CC=C1~   11.203
13782 CCOC(=O)[CH](C)NC(=O)C1=CC=CC=C1~    9.390
13783 CC(=O)N[CH](CC1=C(C)C=CC=C1)C(O)=O~   12.366
13784 CC(=O)N[CH](CC1=CC=C(C)C=C1)C(O)=O~   12.366
13785 CC(=O)N[CH](CC1=CC(=CC=C1)C)C(O)=O~   12.366
13786 CC(=O)N[CH](CCC1=CC=CC=C1)C(O)=O~   12.286
13787 OC(=O)C1=CC=C(C=C1O)N2CCCCC2~    9.633
13789 COC1=CC=C(C=CC(=O)NCCO)C=C1~   14.777
13790 CCN(CC)C(=O)C1=C(C=CC=C1)C(O)=O~   12.421
13791 O=C(NC1=CC=CC=C1)OC[CH]2CCCO2~   10.479
13792 CCOC(=O)CCC(=O)C1=CC=C(N)C=C1~   10.839
13793 CC(C)[CH](NC(=O)C1=CC=CC=C1)C(O)=O~   11.772
13794 CCOC1=CC=C(CN2CCOC2=O)C=C1~    9.273
13796 COC(=O)[CH](CC1=CC=CC=C1)NC(C)=O~    9.903
13797 CCOC(=O)CNC(=O)CC1=CC=CC=C1~    9.903
13798 CCC(=O)N[CH](CC1=CC=CC=C1)C(O)=O~   12.286
13800 CCOC1=CC=C(NC(=O)CC(C)=O)C=C1~   12.487
13802 CC(C)CCOC(=O)C1=CC=C(C=C1)[N+]([O-])=O~    6.372
13803 CCC1(COC(OC1)C2=CC=CC=C2)[N+]([O-])=O~    8.618
13804 CN(C)C(=O)OC[CH]1COC2=C(O1)C=CC=C2~   10.544
13805 CC[CH](C)COC(=O)C1=CC=C(C=C1)[N+]([O-])=O~    6.372
13806 N[CH](CCC(=O)OCC1=CC=CC=C1)C(O)=O~   12.419
13807 CCC(=CC1=C(OC)C=C(OC)C=C1)[N+]([O-])=O~    7.597
13808 CCOC(=O)NC1=CC=C(C=C1)C(=O)OCC~    9.606
13809 OC(=O)CC[C]12CCC(=O)NC1=CC(=O)CC2~   15.893
13810 CCOC(=O)C1=C(C)NC(=C1C=CC(O)=O)C~   12.644
13811 COC(=O)CCN(C(=O)OC)C1=CC=CC=C1~    8.851
13812 CCOC(=O)[CH](CO)NC(=O)C1=CC=CC=C1~   13.827
13814 CCC(=CC1=CC(=C(OC)C=C1)OC)[N+]([O-])=O~    7.597
13816 COC(=O)CCC1=CC=C(NC(=O)OC)C=C1~   10.118
13817 CCNC1=CC(=CC(=C1)C(=O)OC)C(=O)OC~    9.638
13819 CCC(C)(C)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O~    6.372
13821 CC(=O)NC1=C(C)C=C(OCC(O)=O)C=C1C~   13.631
13822 COC1=C(OC)C=C(CN2CCOC2=O)C=C1~   10.623
13823 CCOC(=O)[CH](CC)C1=CC=C(C=C1)[N+]([O-])=O~    6.883
13824 CCOC(=O)C1=C(C=C(N)C=C1)C(=O)OCC~    9.857
13826 COC1=CC(=C(NC(=O)CC(C)=O)C=C1)OC~   13.839
13827 COC1=CC(=C(OC)C=C1)NC(=O)CC(C)=O~   13.839
13829 C[CH](O)[CH](NC(=O)SCC1=CC=CC=C1)C(O)=O~   14.883
13831 COC1=CC=C(C=C1)C2OCC(C)(CO2)[N+]([O-])=O~    9.971
13835 OC[CH](O)[CH](O)[CH](O)[CH](O)C1=NC2=CC=CC=C2S1~   16.077
13836 COC1=CC(=CC(=C1OC)OC)C(=O)NCC(O)=O~   15.827
13837 CCOC(=O)CC1=C(C=C(OC)C(=C1)OC)[N+]([O-])=O~    9.587
13838 CCOC(=O)C1=C(C)C(=C(N1)C(O)=O)OC(=O)CC~   13.561
13839 O[CH]1CO[CH](NC2=CC=C(C=C2)C(O)=O)[CH](O)[CH]1O~   18.903
13840 CCOC(=O)C1=C(C)C(=C(N1)C(O)=O)C(=O)OCC~   13.833
13841 OCCN(CCO)C1=CC(=CC(=C1)C(O)=O)C(O)=O~   19.087
13842 OC(=O)CCN(CCC(O)=O)S(=O)(=O)C1=CC=CC=C1~   15.703
13843 C[CH](N(CCC(O)=O)S(=O)(=O)C1=CC=CC=C1)C(O)=O~   14.402
13844 OC[CH]1O[CH](OC2=C(C=CC=C2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O~   17.343
13845 N#C[CH](C1CCCCC1)C2=CC=CS2~    5.491
13848 COC1=CC(=C2N=CC=CC2=C1)NCCN~   14.366
13851 CC(CO)(CO)NC1=C2C=CC=CC2=NC=N1~   15.160
13852 CC(C)C[C]1(C)[CH](C#N)C(=O)NC(=O)[CH]1C#N~   13.622
13853 CC(C)C1=NN=C(NS(=O)(=O)C2=CC=C(C)C=C2)S1~    9.839
13855 C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C~   10.152
13860 CCOC(=O)COC1=C(C=CC=C1)C=NNC(N)=S~   10.346
13863 COC(=O)CCC(C)=NNC1=CC=C(C=C1)[N+]([O-])=O~    9.951
13864 CCCCOC(=O)NN=CC1=CC=C(C=C1)[N+]([O-])=O~   10.103
13865 OC[CH](O)[CH](O)[CH](O)C1=NN(N=C1)C2=CC=CC=C2~   16.599
13866 [O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)NN=C2CCCCC2~    8.092
13867 CC(C)=CC(C)=NNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O~    7.719
13868 CCOC(=O)CC(C)=NNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O~   10.606
13869 O[CH](C=NNC(=O)C1=CC=NC=C1)[CH](O)[CH](O)[CH](O)C(O)=O~   20.863
13870 OC(=O)CCN1C(=O)N(CCC(O)=O)C(=O)N(CCC(O)=O)C1=O~   28.051
13871 S=C1NCCNC(=S)SCN(CS1)C2=CC=CC=C2~    5.366
13872 CC1=C(C)C=C(NC2=NC(=NC(=C2)N)N)C=C1~   12.513
13873 C1CC[CH](OC1)N2C=NC3=C(N=CN=C23)N4CC4~   13.346
13874 C1CC[CH](OC1)N2N=CC3=C(N=CN=C23)N4CC4~   13.353
13876 CC1(C)NC(=N)NC(=N)N1C2=CC=C(C=C2)C(O)=O~   16.833
13877 CN1C(=O)N(C)C2=C(N(C)C(=N2)N(C(C)=O)C(C)=O)C1=O~   17.907
13878 OC[CH]1O[CH]([CH](O)[CH]1O)N2C=NC3=C(N=CN=C23)N4CC4~   20.656
13880 C[CH]1CC(C)(C)C2=C1C=CC=C2~    2.046
13881 C[CH]1CCC2=C1C(=CC=C2C)C~    2.207
13882 CC1CC2=C(C1)C(=CC=C2C)C~    2.207
13883 CC1=C(C)C(=C(C=C)C(=C1)C)C~    2.387
13885 C[N+]1=C(C[N+]2=CC=CC=C2)C=CC=C1~   12.470
13887 C(C[N+]1=CC=CC=C1)[N+]2=CC=CC=C2~   12.389
13890 CC1=NCCN1CCC2=CC=CC=C2~    6.821
13894 O=CN1CCN(CC1)CC2=CC=CC=C2~   11.762
13895 CN1C[CH]2C[CH](C1)C3=CC=CC(=O)N3C2~   11.055
13896 O=C1CCN(CCN1)CC2=CC=CC=C2~   12.240
13899 NC1=CC(=CC=C1)CC(=S)N2CCOCC2~   11.217
13900 NC1=CC=C(CC(=S)N2CCOCC2)C=C1~   11.217
13901 CCN(CC)[CH]1SC2=C(NC1=O)C=CC=C2~    9.312
13903 CCC(CC)=NOC(=O)NC1=CC=CC=C1~    6.955
13904 COC(=O)N1CCN(CC1)C2=CC=CC=C2~    9.886
13907 CC[CH](CC1=CC=CC=C1)C(=O)NC(N)=O~   10.690
13909 CCC[CH](C(=O)NC(N)=O)C1=CC=CC=C1~   10.690
13910 OCCN(CCO)C1=CC=C(CC#N)C=C1~   13.034
13911 CCOC1=CC=C(C=C1)N=C(C)C(C)=NO~    7.870
13912 CN(C)C(=O)C1=C(C=CC=C1)C(=O)N(C)C~   10.475
13913 CCCCOC(=O)C(C#N)=C1CCC(=C1)N~    9.848
13914 CN1COC2=C3CN(C)COC3=CC=C2C1~    9.606
13915 NC(=O)[CH](N1CCOCC1)C2=CC=CC=C2~   13.213
13917 CC[C](SCC(N)=O)(C(N)=O)C1=CC=CC=C1~   14.388
13918 CN(CCCC#N)S(=O)(=O)C1=CC=C(C)C=C1~    8.785
13919 CCOC(=O)C(CCC#N)(CCC#N)C(C)=O~   13.077
13920 CCC[CH](C)C1(CC#C)C(=O)NC(=O)NC1=O~   12.857
13921 CCNCC(=O)NC1=CC=C(C=C1)C(=O)OC~   12.623
13923 CC(=O)NC1=CC(=C(C=C1)C(C)(C)C)[N+]([O-])=O~   10.201
13924 CC[CH](C(=O)NC(=O)NOC)C1=CC=CC=C1~   10.177
13925 CC(C)C1=C(C=C(C)C(=C1)NC(C)=O)[N+]([O-])=O~   10.281
13926 C[CH]1[CH](C)C(=O)N2N(C1=O)C(=O)[CH](C)[CH](C)C2=O~   14.818
13927 [O-][N+](=O)C1=CC=C(O1)C(=O)CCN2CCCCC2~   10.582
13928 CNC(=O)OC1=CC(=C(OC(=O)NC)C(=C1)C)C~    9.432
13930 CCOC(=O)NC1=CC=C(NC(=O)OCC)C=C1~    9.607
13931 CCOC(=O)NC1=C(NC(=O)OCC)C=CC=C1~    9.607
13932 C[CH](COC(=O)NCC1=CC=CC=C1)OC(N)=O~   10.979
13933 CNC(=O)OC1=CC(=C(OC(=O)NC)C=C1C)C~    9.432
13934 CC(=O)O[C](C)(CC[C](C)(OC(C)=O)C#N)C#N~    4.889
13935 CCOC(=O)C1=C(C)N=C(C(=O)OCC)C(=N1)C~    9.585
13936 CS(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+]([O-])=O~    8.752
13938 COC1=CC(=C(C=C1OC)[N+]([O-])=O)NCCC(C)=O~   11.947
13940 COC1=C(C)C=C(C(=C1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O~    7.851
13941 COC1=C(C(=C(C=C1[N+]([O-])=O)C(C)(C)C)C)[N+]([O-])=O~    7.851
13942 OC[CH](O)[CH](O)[CH](O)[CH](O)C1=NC2=CC=CC=C2N1~   16.085
13943 COC1=C(C(=C(C=C1C(C)(C)C)[N+]([O-])=O)C)[N+]([O-])=O~    7.851
13945 CCOC(=O)[CH](C(O)=O)C(=N)C(=N)[CH](C(O)=O)C(=O)OCC~   19.067
13946 NS(=O)(=O)C1=CC=C(NC(=O)C(=O)[CH](O)[CH](O)[CH](O)CO)C=C1~   19.463
13949 CC(C)(C)C1=NN=C(NS(=O)(=O)C2=CC=C(N)C=C2)S1~   13.211
13950 CC(C)N1C[CH](O)C2=CC(=NNC(N)=O)C(=O)C=C12~   18.678
13951 CN1CCN(CC1)C(=O)NC2=CC=C(C=C2)[N+]([O-])=O~   14.955
13952 CC(C)CC(C)=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~    8.146
13953 CC(=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C(C)(C)C~    8.146
13955 CCOC(=O)CCC1=NC2=C(N1)N(C)C(=O)N(C)C2=O~   14.110
13956 CN1C(=O)N(C)C2=C(N=C(CCCCC(O)=O)N2)C1=O~   16.492
13957 [O-][N+](=O)C1=CC=C(NC(=O)NCN2CCOCC2)C=C1~   14.728
13958 CCSC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=NC=N1~   18.324
13959 OCCCCCC=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~   12.582
13960 COC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=NC(=N1)SC~   18.714
13962 CC(C)SC1=C2C(=CC(=NC2=NC(=N1)N)C)C~    8.943
13965 C1CCN(CC1)C2=C3CCCC3=NC4=NN=NN24~   10.750
13966 O=C(NC1CCCCC1)NC2=C3N=CNC3=NC=N2~   16.529
13967 CC1(C)O[CH]2[CH](CO)O[CH]([CH]2O1)N3N=NC4=C(O)N=C(N)N=C34~   23.306
13968 CC(=O)C1=CC=C(C=C1)C(C)(C)C~    4.597
13969 CC(C)CC(=O)CC1=CC=CC=C1~    5.029
13970 O[CH]1CCCC[CH]1C2=CC=CC=C2~    6.403
13971 CC[C](C)(O)C1=CC=C(C=C)C=C1~    6.583
13973 OC1=C(C=CC=C1)C2CCCCC2~    5.951
13974 CC1=CC(=C(OCC=C)C(=C1)C)C~    3.250
13975 CCCCCC(=O)C1=CC=CC=C1~    4.516
13976 CC(C)C1=CC(=C(C)C=C1)C(C)=O~    4.676
13977 CCCCC(=O)CC1=CC=CC=C1~    5.029
13979 OC1CCC(CC1)C2=CC=CC=C2~    6.403
13980 OCC[CH]1CCC2=C(C1)C=CC=C2~    6.483
13981 OC1(CCCCC1)C2=CC=CC=C2~    6.403
13984 C[CH](CC1=C(C)C=CC(=C1)C)C=O~    4.928
13985 CCC1=CC=C(C[CH](C)C=O)C=C1~    4.851
13986 CCC[CH](C(C)=O)C1=CC=CC=C1~    5.029
13987 CC(=O)C1=C(C)C(=C(C)C=C1C)C~    4.836
13988 C[CH]1[CH]2C[CH](C=C2)[CH]1C=CC(C)=O~    4.293
13990 CC1=CC(=C2CCCCC2=C1O)C~    6.190
13991 CC[C](O)(C#C)[CH]1C[CH]2C[CH]1C=C2~    5.889
13995 CCCC(=O)OCCC1=CC=CC=C1~    4.480
13996 CCC(=O)OCCCC1=CC=CC=C1~    4.480
13997 CC(=O)OC1CC2CC1C3CC=CC23~    3.772
13998 C[CH]1O[C](C)(O[CH]1C)C2=CC=CC=C2~    5.376
13999 C[CH]1C[CH](C)O[CH](O1)C2=CC=CC=C2~    5.376
14000 CC(C)C1=CC=C(C)C(=C1)OC(C)=O~    3.857
14001 CC(C)COC(=O)CC1=CC=CC=C1~    4.480
14002 CCCC(=O)OC1=CC(=CC=C1)CC~    3.777
14003 CCCC(=O)OC1=CC=C(CC)C=C1~    3.777
14004 CC(=O)OC1=CC=C(C=C1)C(C)(C)C~    3.777
14005 C[CH]1CO[C](C)(CC2=CC=CC=C2)O1~    5.376
14006 CC(C)CCOC(=O)C1=CC=CC=C1~    3.967
14007 CC[CH](C)OC(=O)C1=C(C)C=CC=C1~    4.048
14008 CCCCOC(=O)C1=CC(=CC=C1)C~    4.048
14009 CC[CH](C)OC(=O)C1=CC(=CC=C1)C~    4.048
14010 CC(C)COC(=O)C1=CC(=CC=C1)C~    4.048
14011 CCOC(=O)C1=CC=C(C=C1)C(C)C~    4.048
14012 CCC(=O)CCC1=CC=C(OC)C=C1~    6.380
14013 CCC(CC)OC(=O)C1=CC=CC=C1~    3.967
14014 CC[CH](C)OC(=O)CC1=CC=CC=C1~    4.480
14015 C1COC(CCC2=CC=CC=C2)OC1~    5.376
14016 C[CH]1CO[CH](CCC2=CC=CC=C2)O1~    5.376
14018 CC(C)C1=CC=C(C=C1)C2OCCO2~    5.456
14020 CC(C)COC(=O)C1=CC=C(C)C=C1~    4.048
14021 C[CH]1O[CH](CC2=CC=CC=C2)O[CH]1C~    5.376
14023 C[CH]1O[CH](O[CH]1C)C2=CC=C(C)C=C2~    5.456
14025 O=CO[CH]1C[CH]2CC[C]13CC=CC[CH]23~    3.511
14028 CC1=C(C)C=C(CCCC(O)=O)C=C1~    7.023
14029 CCOC(=O)C(C)(C)C1=CC=CC=C1~    4.480
14030 CC[CH](OC(=O)CC)C1=CC=CC=C1~    4.480
14031 CC[C]1(OC[CH](C)O1)C2=CC=CC=C2~    5.376
14032 CCC1(OCCCO1)C2=CC=CC=C2~    5.376
14033 CC[C]1(C)O[C]1(OC)C2=CC=CC=C2~    5.876
14034 COC1=CC=C(C[CH](C)C(C)=O)C=C1~    6.380
14036 CCOC(=O)[CH](CC)C1=CC=CC=C1~    4.480
14038 CC[CH](C)OC(=O)C1=CC=C(C)C=C1~    4.048
14040 CC1=C(C=CC=C1)C(=O)OC(C)(C)C~    4.048
14041 CC(C)(C)C(=O)[CH](O)C1=CC=CC=C1~    5.836
14043 C[CH]1CO[CH](O1)[CH](C)C2=CC=CC=C2~    5.376
14044 OC1=CC=C(C=C1O)C2CCCCC2~    9.932
14045 CC(C)[CH]1OC[CH](O1)C2=CC=CC=C2~    5.376
14047 CC(=O)OC(C)(C)CC1=CC=CC=C1~    4.480
14048 CC(C)CC(=O)OCC1=CC=CC=C1~    4.480
14049 CC1(C)COC(OC1)C2=CC=CC=C2~    5.376
14050 C[CH]1CCO[CH](CC2=CC=CC=C2)O1~    5.376
14051 C[CH]1CCO[C](C)(O1)C2=CC=CC=C2~    5.376
14052 CC1=CC(=CC(=C1O)C=O)C(C)(C)C~    5.300
14053 COC(=O)[CH](C)CSCC1=CC=CC=C1~    6.575
14054 CC(C)C1=C(OCC(O)=O)C=C(C)C=C1~    7.444
14056 CC(=C)CCC(C)=C[CH]1CC(=O)OC1=O~    3.857
14057 CCCCOC1=C(C=CC=C1)C(=O)OC~    5.319
14058 CC(C)COC(=O)COC1=CC=CC=C1~    4.900
14059 CCCC[CH](O)C1=CC2=C(OCO2)C=C1~    9.105
14061 COC[CH](C)OC(=O)CC1=CC=CC=C1~    6.535
14062 COC1=CC=C(C=C1)[CH]2OCC[CH](C)O2~    6.726
14063 COC1=C(C=CC=C1)[CH]2O[CH](C)[CH](C)O2~    6.726
14064 COC1=CC=C(C=C1)[CH]2O[CH](C)[CH](C)O2~    6.726
14068 CCC(=O)O[CH](C)COC1=CC=CC=C1~    5.750
14069 CC(C)(C)C1=CC=C(OCC(O)=O)C=C1~    7.364
14070 CCCCOC(=O)C1=C(OC)C=CC=C1~    5.319
14071 CCOC(=O)CCCOC1=CC=CC=C1~    5.750
14072 CCOC(=O)COC1=C(C)C=CC=C1C~    5.061
14073 CC(C)CCOC(=O)C1=CC=C(O)C=C1~    7.951
14075 CO[CH](C)CCOC(=O)C1=CC=CC=C1~    6.022
14076 CCCOC(=O)C1=CC=C(OCC)C=C1~    5.319
14078 CCCOC(=O)[CH](O)C1=CC=C(C)C=C1~    5.368
14079 COC1=C(OC)C(=CC(=C1)CC=C)OC~    5.790
14080 COC1=C(OC)C(=CC(=C1)C=CC)OC~    6.048
14081 COC1=CC=C(C=C1OC)[CH](O)CC=C~    8.876
14082 CCOCCOC(=O)CC1=CC=CC=C1~    6.535
14083 CC[CH](C)OC(=O)C1=CC=C(OC)C=C1~    5.319
14087 CCCOC(=O)CC1=CC=C(OC)C=C1~    5.830
14088 COC1=CC=C(CC(=O)OC(C)C)C=C1~    5.830
14089 CC[C]1(OC[CH](CO)O1)C2=CC=CC=C2~    9.812
14090 CCOC(=O)OCCCC1=CC=CC=C1~    3.932
14092 CC(C)(CCC(O)=O)C1=CC=C(O)C=C1~   10.845
14093 COC1=C(OC)C=C(CCC(C)=O)C=C1~    7.730
14098 CCCCCOC(=O)C1=C(O)C=CC=C1~    4.851
14099 CCOC(=O)C[C](C)(O)C1=CC=CC=C1~    8.917
14100 CC(=O)C[C]1(O)C(=CC(=C(C)C1=O)C)C~    8.036
14101 OC(=O)[CH](C1=CC=CS1)C2(O)CCCCC2~   11.674
14102 CCCCOC(=O)C1=CC=C(O)C(=C1)OC~    9.301
14103 CCCCOCC(=O)C1=C(O)C=C(O)C=C1~   10.587
14104 COC1=CC(=C(O)C(=C1)C(O)=O)C(C)(C)C~    8.664
14105 COC[CH](C)OC(=O)COC1=CC=CC=C1~    6.955
14106 C[CH](O)C(=O)OCCOCC1=CC=CC=C1~    7.341
14108 OCC[CH](CO)CC1=CC2=C(OCO2)C=C1~   10.542
14109 COC1=CC(=CC=C1O)C(=O)OCC(C)C~    9.301
14110 CCOC(OCC)C1=CC2=C(OCO2)C=C1~    8.078
14112 CCOC(=O)[CH]1C=CC=C[CH]1C(=O)OCC~    6.074
14113 O=C(OC[CH]1CCC=CO1)[CH]2CCC=CO2~    5.076
14114 CCCCOC1=CC=CC(=C1)OCC(O)=O~    8.635
14116 COC1=CC(=CC=C1O)[CH]2OCC[CH](C)O2~   10.710
14117 COC1=CC=C(C=C1OC)[CH]2OC[CH](C)O2~    8.078
14120 COC1=CC(=CC=C1O)CCCCC(O)=O~   12.196
14122 OCC1(CO)COC(OC1)C2=CC=CC=C2~   11.249
14123 OC1=C(C=C(C=C1)S(O)(=O)=O)C2CCCCC2~   12.280
14124 O[CH]1CO[CH](OCC2=CC=CC=C2)[CH](O)[CH]1O~   13.587
14127 CCOC(=O)[CH]1CC(=O)[CH](CC1=O)C(=O)OCC~   12.710
14128 OC[CH]1O[CH](OC2=CC=C(O)C=C2)[CH](O)[CH](O)[CH]1O~   18.921
14129 CC(=O)OC1COC2OC1C(OC(C)=O)C2OC(C)=O~   13.408
14131 NC1=C(C=CC=C1)C2CCCCC2~    5.418
14132 CC1=[N+](C)C2=C(C=CC=C2)C1(C)C~   11.000
14134 CC1=C(C=CC=C1)N2CCCCC2~    4.011
14135 C1CC(CCN1)CC2=CC=CC=C2~    5.735
14136 C1CCN(C1)CCC2=CC=CC=C2~    5.517
14137 C[CH]1CCN[CH](C1)C2=CC=CC=C2~    5.735
14138 C1CCN(CC1)CC2=CC=CC=C2~    5.517
14140 CCN(C(=O)C(C)C)C1=CC=CC=C1~    6.529
14142 CCN(CC)C(=O)C1=CC=C(C)C=C1~    7.682
14143 CCCCCN(C=O)C1=CC=CC=C1~    6.269
14144 CCCCNC(=O)CC1=CC=CC=C1~    8.333
14147 CCN(CC)C1=CC=C(C=O)C(=C1)C~    6.382
14148 CCCCN(C(C)=O)C1=CC=CC=C1~    6.529
14149 CCN(CC)C(=O)CC1=CC=CC=C1~    8.115
14150 CC(C)(C)CC(=O)NC1=CC=CC=C1~    7.717
14151 CCCCCCC(=O)C1=CC=CN=C1~    7.277
14153 O[CH]([CH]1CCCCN1)C2=CC=CC=C2~   10.173
14154 CCCCNC(=O)C1=C(C)C=CC=C1~    7.900
14155 CC[CH](C)NC(=O)C1=C(C)C=CC=C1~    7.900
14158 CCCCNC(=O)C1=CC=C(C)C=C1~    7.900
14159 CC[CH](C)NC(=O)C1=CC=C(C)C=C1~    7.900
14160 COC1=C(C=CC=C1)N2CCCCC2~    5.281
14161 CC[CH]1CO[CH](CN1)C2=CC=CC=C2~    7.790
14162 CC1(C)CO[CH](CN1)C2=CC=CC=C2~    7.790
14164 CCCC[CH](C(N)=O)C1=CC=CC=C1~    8.553
14165 CCN(CC)C(=O)C1=CC(=CC=C1)C~    7.682
14167 CCCCNC(=O)C1=CC(=CC=C1)C~    7.900
14168 CC[CH](C)NC(=O)C1=CC(=CC=C1)C~    7.900
14169 C1CN(CCO1)CCC2=CC=CC=C2~    7.572
14170 CN(C)CCC(=O)CC1=CC=CC=C1~    8.580
14171 CCC(=O)CC1=CC=C(C=C1)N(C)C~    7.074
14172 CCC(=O)[CH](C(C)C)C1=CC=CC=N1~    7.788
14173 CC(=O)NC1=CC=C(C=C1)C(C)(C)C~    7.799
14176 CN(C)C(=S)SCCOC1=CC=C(C)C=C1~    6.131
14177 CCCCCCOC(=O)C1=CC=CC=N1~    6.728
14178 CCCC(=O)NC1=CC=C(OCC)C=C1~    9.069
14179 CCOC(=O)[CH](C)NCC1=CC=CC=C1~    6.951
14181 CC1=C(C(=CC(=C1)C(C)(C)C)C)[N+]([O-])=O~    4.175
14182 CCC(CC)COC(=O)C1=CC=CN=C1~    6.728
14184 CCOC1=C(NC(=O)C(C)C)C=CC=C1~    9.069
14185 CCCCN1C(=O)[CH]2CC=CC[CH]2C1=O~    6.804
14187 C[CH](CN(C)C)C(=O)C1=CC=C(O)C=C1~   12.050
14189 CC1=CC(=C(C[CH](N)C(O)=O)C(=C1)C)C~    9.790
14190 CC[CH](OC(=O)N(C)C)C1=CC=CC=C1~    7.567
14193 CC(C)(C)N[CH](C(O)=O)C1=CC=CC=C1~    9.332
14194 CCN(CC)C(=O)C1=CC=C(OC)C=C1~    8.955
14196 C[CH](N(C)CCO)C(=O)C1=CC=CC=C1~   11.203
14198 CCOC(=O)[CH](N(C)C)C1=CC=CC=C1~    6.730
14201 CCNC1=CC=C(CCC(=O)OC)C=C1~    7.712
14205 COC1=CC2=C(C[CH](C)NC2)C=C1OC~    8.517
14208 CCC[CH](C)OC(=O)C1=CC(=CC=C1)N~    7.419
14209 CCOC(=O)[CH](C)CCC1=CC=NC=C1~    7.240
14213 CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2~    5.635
14214 COC(=O)C1(CCN(C)CC1)C2=CC=CS2~    8.406
14215 O=S(=O)(NCC1=CC=CC=C1)C2CCCC2~    6.290
14217 O=S(=O)(NC1=CC=CC=C1)C2CCCCC2~    5.674
14219 CC(C)(SCC1=CC=CC=C1)[CH](N)C(O)=O~   11.644
14220 O[CH](CN1CCCC1)C2=CC(=C(O)C=C2)O~   17.921
14221 COC1=CC=C(C=C1)C(=O)OCCN(C)C~    8.870
14222 CCN(CC)CC(=O)C1=CC(=C(O)C=C1)O~   14.733
14225 COC1=C(OC)C=C(CCNC(C)=O)C=C1~   11.036
14228 N[CH](CCCCOC1=CC=CC=C1)C(O)=O~   10.821
14229 COC1=CC(=CC=C1O)C(=O)CCN(C)C~   13.400
14232 CCCCS(=O)(=O)C1=CC=C(NC(C)=O)C=C1~   11.476
14234 CCOC(=O)C1=C(C)C(=C(C)N1)C(=O)OCC~    9.093
14235 COC1=CC(=C(NC(=O)OC(C)C)C=C1)OC~    9.870
14236 CCOC(=O)C1=C(C)NC(=C1CCC(O)=O)C~   11.987
14238 O[CH]1CO[CH](NCC2=CC=CC=C2)[CH](O)[CH]1O~   14.701
14240 CCOC(=O)CN(C)S(=O)(=O)C1=CC=C(C)C=C1~    6.848
14241 CC(C)[C](C)(NS(=O)(=O)C1=CC=CC=C1)C(O)=O~    9.370
14243 CCC[C](C)(NS(=O)(=O)C1=CC=CC=C1)C(O)=O~    9.370
14244 CC(C)[CH](NS(=O)(=O)C1=CC=C(C)C=C1)C(O)=O~    9.450
14245 CC(C)[CH](NS(=O)(=O)CC1=CC=CC=C1)C(O)=O~    9.886
14247 CSCC[CH](NS(=O)(=O)CC1=CC=CC=C1)C(O)=O~   11.983
14248 CCOC(=O)C1=C(C)C(=C(CO)N1)C(=O)OCC~   13.529
14250 COC1=CC(=CC(=C1OC)OC)C(=O)NCCO~   16.311
14253 CCN(CCO)CC1=NC2=CC=CC=C2N1~   13.889
14255 CCCCOC1=CC=C(C=C1)C=NNC(N)=S~    8.326
14256 CC[C]1(C(=N)NC(=S)NC1=O)C2=CCCCC2~   10.183
14257 OCCN(CCO)CC1=NC2=CC=CC=C2N1~   15.325
14258 CC[C]1(C(=N)NC(=O)NC1=O)C2=CCCCC2~   10.860
14261 CC(C)=CC(C)=NNS(=O)(=O)C1=CC=C(N)C=C1~    8.767
14262 NC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCCC2~    9.139
14263 CCCC=NNS(=O)(=O)C1=CC=C(NC(C)=O)C=C1~   11.519
14264 CCC(C)=NNS(=O)(=O)C1=CC=C(NC(C)=O)C=C1~   11.519
14265 CCOC(=O)CC(C)=NNS(=O)(=O)C1=CC=C(N)C=C1~   11.654
14266 CC(=NNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(C)(C)C~    7.735
14268 CC1=CC=C(C=C1)S(=O)(=O)N[CH](CCC(=O)NN)C(O)=O~   18.770
14269 S=C(NN1CCCCC1)NC2=CC=CC=C2~    8.742
14270 CC(C)CNC(=S)NN=CC1=CC=CC=C1~    6.757
14271 CN1CCN(CC1)C(=S)NC2=CC=CC=C2~    9.914
14272 CN(C)CCCSC1=NC2=CC=CC=C2N1~   11.030
14273 CC(CCSCC1=CC=CC=C1)=NNC(N)=S~    9.070
14275 COC1=CC=C(C=C1)N2C(=N)NC(=N)NC2(C)C~   13.366
14277 CN(C)C1=C2N=CN([CH]3CCCCO3)C2=NC=N1~   12.991
14278 CN(C)C1=C2N=CN([CH]3CCC[CH]3O)C2=NC=N1~   14.472
14279 CCNC1=C2C=NN([CH]3CCCCO3)C2=NC=N1~   14.186
14280 CN(C)C1=C2C=NN([CH]3CCCCO3)C2=NC=N1~   12.996
14281 CCCNC1=C2C=NN([CH]3CCCO3)C2=NC=N1~   14.186
14283 CN1C(=O)N(C)C2=C(N(C)C(=N2)N3CCCC3)C1=O~   12.355
14284 CC1(C)NC(=N)NC(=N)N1C2=CC=C(C=C2)S(C)(=O)=O~   15.772
14286 CN1C(=O)N(C)C2=C(N(C)C(=N2)N3CCOCC3)C1=O~   14.409
14287 CCS[CH]1[CH](O)[CH](CO)O[CH]1N2C=NC3=C2N=CN=C3N~   22.366
14288 CCS[CH]1[CH](CO)O[CH]([CH]1O)N2C=NC3=C(N)N=CN=C23~   22.366
14289 CCOC(=O)NCCC1=NC2=C(N1)N(C)C(=O)N(C)C2=O~   17.415
14290 CN(C)C1=NC=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=N1~   16.750
14292 CC1=C(C)C(=C(C)C(=C1C)C)C~    2.012
14293 CC1=CC(=CC(=C1)C(C)(C)C)C~    1.772
14294 C[N+](C)(C)CC1=CC2=CC=CC=C2N1~   17.456
14295 C1CCN(CC1)CCC2=CC=CC=N2~    8.277
14296 C1CNCCN(C1)CC2=CC=CC=C2~    9.287
14297 C[N+](C)(C)CC1=CNC2=C1C=CC=C2~   17.456
14298 CN1CCN(CC1)C2=C(C)C=CC=C2~    7.562
14299 CN1CCN(CC1)C2=CC=CC(=C2)C~    7.562
14300 CC1=CC(=CC=C1)CN2CCNCC2~    9.367
14301 C1CC[CH](CCC2=CC=CC=N2)NC1~    8.495
14302 C[N+]1(C)CCN=C1CC2=CC=CC=C2~   15.086
14304 CCCCCC(=O)NNC1=CC=CC=C1~   10.096
14305 CN(C)CC[CH](C(N)=O)C1=CC=CC=C1~   12.103
14306 CN(C)CCNC(=O)CC1=CC=CC=C1~   11.883
14307 CN(C)NC(C)(C)C(=O)C1=CC=CC=C1~    9.146
14308 COC1=CC=C(CN2CCNCC2)C=C1~   10.636
14309 CCOC1=C(C=CC=C1)N2CCNCC2~    9.051
14310 C1CN(CCN1)CCOC2=CC=CC=C2~   10.558
14311 CC(C)N(C(C)C)C(=O)C1=CC=NC=C1~   10.363
14312 CC(C)CCON=CC1=CC=CC(=N1)C~    6.290
14313 CCN(CC)C(=O)NC1=C(C)C=CC=C1~    8.724
14314 CCCNCC(=O)NC1=C(C)C=CC=C1~   10.267
14315 CN(C)CC[CH](C(C)=O)C1=CC=CC=N1~   11.339
14317 C[CH](CN(C)C)OC(=O)NC1=CC=CC=C1~   10.719
14318 CCN(CC)CCC1=CC=C(C=C1)[N+]([O-])=O~    7.565
14319 CC(C)CNCCC1=CC=C(C=C1)[N+]([O-])=O~    7.783
14320 CCN(CC)CCC1=C(C=CC=C1)[N+]([O-])=O~    7.565
14321 CCCCNCCC1=C(C=CC=C1)[N+]([O-])=O~    7.783
14322 CCCCNCCC1=CC=C(C=C1)[N+]([O-])=O~    7.783
14323 CC(C)CNCCC1=C(C=CC=C1)[N+]([O-])=O~    7.783
14324 CCN(CC)C1=CC=CC(=C1)OC(=O)NC~    9.046
14326 CCOC(=O)NN(C)C1=C(C)C=CC=C1C~    8.520
14327 O=C(C1CCC(CC1)C(=O)N2CC2)N3CC3~   10.656
14328 CC=CC(=O)N1CCN(CC1)C(=O)C=CC~   10.602
14329 CC1=C(NS(=O)(=O)N2CCCCC2)C=CC=C1~    7.015
14331 CC1=CC=C(NS(=O)(=O)N2CCCCC2)C=C1~    7.015
14332 CCS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2~    8.036
14334 CCCC1(C(=O)NC(=O)NC1=O)C(C)=CCC~   11.936
14335 CC[CH](C)[C]1(CC=C)C(=O)NC(=O)N(C)C1=O~   11.860
14336 CCOC(=O)[CH](C)NC(=O)C1=CC=[N+](C)C=C1~   16.943
14337 O=C1CC(CC(=O)N1)CC(=O)N2CCCCC2~   13.472
14338 CCC1([CH](C)C=C(C)C)C(=O)NC(=O)NC1=O~   11.936
14340 COC1=CC=C(NS(=O)(=O)N2CCCCC2)C=C1~    8.286
14341 CCCCS(=O)(=O)NC(=O)NC1=CC=C(C)C=C1~    9.498
14342 CCCCNC(=O)NS(=O)(=O)C1=CC=C(C)C=C1~    9.597
14344 O=C(C=CC(=O)N1CCOCC1)N2CCOCC2~   15.011
14346 CC1=CC=C(NS(=O)(=O)CC[CH](N)C(O)=O)C=C1C~   13.418
14347 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O~    7.604
14348 CCCCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NO~   14.521
14349 CCOC(=O)[CH](CC)C1(CC)C(=O)NC(=O)NC1=O~   14.821
14350 OC[CH](O)[CH](O)[CH](O)[CH](O)C=NNC1=CC=CC=C1~   14.863
14351 CCOC(=O)C(CCC#N)(NC(C)=O)C(=O)OCC~   14.446
14354 NC1=CC=C(C=C1)S(=O)(=O)N[CH]2[CH](O)O[CH](CO)[CH](O)[CH]2O~   20.928
14355 NS(=O)(=O)C1=CC=C(NC(=O)[CH](O)[CH](O)[CH](O)[CH](O)CO)C=C1~   18.378
14356 CC1=NC(=C(C[N+]2=CSC(=C2C)CCO)C=N1)N~   22.084
14357 CC(C)CCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O~    9.955
14358 CCOC1=C(OCC)C=C(C=C1)C=NNC(N)=N~   13.507
14359 CCC(CC)C1=NC2=C(N1)N(C)C(=O)N(C)C2=O~   11.240
14360 CC(C)CCC1=NC2=C(N1)N(C)C(=O)N(C)C2=O~   11.240
14361 CCCCCCC=NNC1=CC=C(C=N1)[N+]([O-])=O~    9.842
14362 C1CN(CCO1)C2=CC=NC(=N2)N3CCOCC3~    9.910
14364 CC[CH](C)OC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C~   11.305
14365 CN1C(=O)N(C)C2=C(N(C)C(=N2)OC(C)(C)C)C1=O~   11.305
14366 CCOC(=O)C1=C(C)C(=C(C)N1)C(C)=NNC(N)=O~   14.735
14368 COC1=CC=C(C=C1)C(CC(=O)NN)CC(=O)NN~   18.403
14369 CN1C(=O)N(C)C2=C(N=C(N2)[CH](O)[CH](O)[CH](O)[CH](O)CO)C1=O~   21.425
14370 CCCCCCCSC1=C2N=CNC2=NC=N1~    8.910
14371 CCCSC1=C2N=CN(CC)C2=NC(=N1)CC~    7.783
14372 CCCCCCCSC1=C2C=NNC2=NC=N1~    8.917
14373 CC(C)CNC(=S)NN=CC1=CC=C(N)C=C1~   10.208
14374 CCNC1=NC(=C2N=C(C)C(=NC2=N1)C)NCC~   12.150
14376 CCCCN(N=O)C1=NC2=C(N1C)C(=O)N(C)C(=O)N2C~   13.125
14377 CN(C)C1=NC(=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=N1)N~   20.202
14378 CCCCOCCC1=CC=CC=C1~    3.666
14381 CC(C)(C)C1=CC=C(CCO)C=C1~    6.128
14382 CCCCC[CH](O)C1=CC=CC=C1~    6.048
14385 CC(C)CCOCC1=CC=CC=C1~    3.666
14387 CCC(C)(CC)C1=CC=C(O)C=C1~    5.593
14388 CC(C)C(C)(C)C1=CC=C(O)C=C1~    5.593
14389 CCCC[C](C)(O)C1=CC=CC=C1~    6.048
14390 COC1=CC(=CC=C1C)C(C)(C)C~    3.042
14391 CCOCC1=C(C)C=C(C)C=C1C~    3.907
14393 CC[CH](O)[CH](CC)C1=CC=CC=C1~    6.048
14394 CC1=C(O)C(=CC(=C1)C(C)(C)C)C~    5.754
14395 OC1(CCCC1)C#CC2(O)CCCC2~    7.569
14396 CC[CH](C)C1=CC=C(OCCO)C=C1~    7.399
14398 CC(C)(C)C1=CC=C(OCCO)C=C1~    7.399
14399 CCOC(C)(OCC)C1=CC=CC=C1~    5.020
14400 CCCCOCC1=CC=C(OC)C=C1~    5.016
14401 OCCCCCOCC1=CC=CC=C1~    8.102
14402 CCCOC1=C(OCCC)C=CC=C1~    4.232
14404 CC(C)(O)C1=C(C=CC=C1)C(C)(C)O~    7.565
14405 OC1=CC(=C[CH](C1)C2CCCCC2)O~    4.767
14406 CCOC(OCC)C1=C(C)C=CC=C1~    5.100
14407 CCCCCCC1=CC(=O)CC(=O)C1~    7.228
14409 CCCCCCCC(=O)C1=CC=CO1~    4.271
14410 C[CH](O)COC1=CC=C(C=C1)C(C)C~    7.399
14412 COC1=CC=C(C[CH](C)[CH](C)O)C=C1~    7.399
14413 CC(C)(O)C(C)(C)C1=CC=C(O)C=C1~   10.030
14414 CO[C](C)(C1=CC=CC=C1)C(C)(C)O~    8.102
14415 CCCC(=O)OC[CH]1C[CH]2C[CH]1C=C2~    3.416
14416 CC(C)C(=O)OC[CH]1C[CH]2C[CH]1C=C2~    3.416
14418 COCC1=C(O)C=CC(=C1)C(C)(C)C~    7.728
14419 CCOC(=O)[CH]1[CH](CC)CC(=O)C=C1C~    6.680
14420 CCOC(OCC)C1=C(OC)C=CC=C1~    6.371
14421 CCOC(OCC)C1=CC=C(OC)C=C1~    6.371
14422 OCCCOCCCOC1=CC=CC=C1~    9.373
14423 CC(CC(C)(C)C)=C[CH]1CC(=O)OC1=O~    3.804
14424 CC1(C)[CH](C[CH]1[C](C)(O)C#C)CC(O)=O~   10.730
14425 OS(=O)(=O)CCCCCCC1=CC=CC=C1~    8.378
14426 CC1=CC(=C(C)C=C1)CCCCS(O)(=O)=O~    8.538
14427 CCCCOC(=O)C1=CC(=O)CC(C)(C)O1~    7.330
14430 CCC1=C(OC)C(=C(OC)C=C1OC)OC~    7.015
14433 C=CCO[CH]1CO[CH]2[CH](CO[CH]12)OCC=C~    9.863
14434 CC(=O)OC[CH]1CO[CH](O1)[CH]2CCC=CC2~    6.824
14435 CCS(=O)(=O)C(CC1=CC=CC=C1)S(=O)(=O)CC~   10.000
14436 CCOC(=O)C1(CCCCC1=O)C(=O)OCC~    9.292
14437 CCOC(=O)[CH]1[CH](OC(=O)C1=O)C(CC)CC~    8.397
14438 CCOC(=O)[CH]1CCC[CH](C(=O)OCC)C1=O~    9.292
14439 CCOC(=O)CC(=CC(=O)OCC)C(=O)OCC~    8.917
14441 COC(=O)C([CH]1CC(=O)OC(C)(C)C1)C(=O)OC~    8.742
14442 C1O[CH]1CO[CH]2CO[CH]3[CH](CO[CH]23)OC[CH]4CO4~   14.928
14443 CCC(=O)O[CH]1CO[CH]2[CH](CO[CH]12)OC(=O)CC~   11.239
14445 C=CCOC(=O)CCS(=O)(=O)CCC(=O)OCC=C~    9.967
14446 C=CCOC(=O)OCCOCCOC(=O)OCC=C~    6.730
14447 CCOC(=O)C1=C(C)OC(=C1)[CH](O)[CH](O)[CH](O)CO~   12.631
14448 CC1(C)O[CH]2CO[C]3(OC(C)(C)O[CH]3[CH]2O1)C(O)=O~   15.721
14449 CC(=O)OC[CH]1OCO[CH]2[CH](COC(C)=O)OCO[CH]12~   13.747
14450 CCC(CCC(CC)(C(O)=O)C(O)=O)(C(O)=O)C(O)=O~   20.785
14451 CC(=O)OC[CH](OC(C)=O)[CH](COC(C)=O)OC(C)=O~   11.256
14453 CCCCCC1=CC=C(CC)C=N1~    4.451
14454 CC(C)C1=CC=CC(=N1)C(C)(C)C~    4.451
14455 CCCN(CCC)C1=CC=CC=C1~    3.575
14456 CCCCN[CH](C)C1=CC=CC=C1~    5.380
14457 CCCCCNC1=CC=C(C)C=C1~    4.845
14458 CCN(CC)C1=C(C)C=C(C)C=C1~    3.735
14459 CCN(CC)C1=C(C)C=CC(=C1)C~    3.735
14460 CC(C)[CH](N)CCC1=CC=CC=C1~    5.599
14461 C[N+]1(C)CCC[CH]1C2=CC=CC=C2~   13.783
14462 CC1=C(C)C(=C(C)C(=C1)C)CCN~    5.921
14463 CN(C)CC1=C(C)C(=CC(=C1)C)C~    5.402
14464 CCCCN(CC#CC)CC#CC~    5.740
14465 CC[CH](CN(C)C)C1=CC=CC=C1~    5.161
14466 C[N+](C)(CC=C)CC1=CC=CC=C1~   13.554
14467 CC(C)N[CH](C)CC1=CC=CC=C1~    5.380
14469 CC1=CC(CC(C)(C)C1)=NCC=C~    1.551
14470 CCOC1=CC(=CC=C1)N(CC)CC~    4.924
14471 CCCC[CH](N)[CH](O)C1=CC=CC=C1~   10.035
14472 CCN(CC)CC1=C(O)C(=CC=C1)C~    9.224
14475 CCN(CC)C[CH](O)C1=CC=CC=C1~    9.599
14476 CN(C)C(C)(C)[CH](O)C1=CC=CC=C1~    9.599
14477 O=C1[CH]2CC[CH]([CH]1CC2)N3CCCC3~    7.815
14478 C[N+](C)(C)CCC(=O)C1=CC=CC=C1~   16.332
14480 CCCCN[CH](CO)C1=CC=CC=C1~    9.815
14482 CC(=C)CN=C[C]1(C)CCC(=CO1)C~    2.706
14483 CNCC1=CC(=CC=C1O)C(C)(C)C~    9.442
14484 COC1=CC(=C(CN(C)C)C(=C1)C)OC~    7.943
14485 CCN(CC)CC1=CC(=CC=C1O)OC~   10.495
14486 C[N+](C)(C)CCOC(=O)C1=CC=CC=C1~   15.783
14487 CCCCCC[N+]1=CC(=CC=C1)C(O)=O~   13.903
14489 CCN(CC)CCOC1=CC=C(O)C=C1~   10.415
14490 CCN(CCO)C[CH](O)C1=CC=CC=C1~   11.035
14492 CC1(C)C[C](C)(CC2(C1)OCCO2)C#N~    7.405
14494 CC(C)[CH](C)S(=O)(=O)NCC1=CC=CC=C1~    5.936
14495 CCCCCCNS(=O)(=O)C1=CC=CC=C1~    5.418
14496 C[CH]1C[CH](CC(C)(C)C1)OC(=O)CSC#N~    6.353
14497 CCN(CC)C(=O)[CH]1CC=CC[CH]1C(O)=O~   11.947
14498 CNC(=O)OCCOC1(CCCCC1)C#C~    9.271
14499 CCOC(=O)[CH]1CC[CH]2CCCCN2C1=O~    9.863
14501 CC(C)C[CH](NCC1=CC=CC=C1)S(O)(=O)=O~    9.476
14502 C[CH]1CC=CC[CH]1C2OCC(C)(CO2)[N+]([O-])=O~    7.199
14503 CCOC(=O)[CH](CC(C)C)NC(=O)C=CC(O)=O~   13.924
14504 CCOC(=O)CCN1[CH](CCC1=O)C(=O)OCC~   11.078
14505 CCOC(=O)CCC(NC(C)=O)(C(C)=O)C(C)=O~   14.907
14506 CN(C)CCCSC1=CC=C(C)C=C1~    6.821
14507 CCCCCCCSC1=CC=CC=N1~    4.359
14508 NC[CH](C1CCCCC1)C2=CC=CS2~    5.975
14509 C1CCN(CC1)CCCC2=CC=CS2~    5.536
14510 NN1CCCN(CC1)CC2=CC=CC=C2~   11.666
14511 CC[C](N(C)C)(C(N)=N)C1=CC=CC=C1~   10.672
14512 CCN(CC)CC1=CC(=CC=C1O)C(N)=N~   14.735
14513 CCN(CC)[CH](C(=O)NN)C1=CC=CC=C1~   13.182
14515 CCOC(=O)C1=CNC(=S)N(CCC(C)C)C1=N~    9.550
14516 CC(=NNS(=O)(=O)C1=CC=C(N)C=C1)C(C)(C)C~    8.783
14518 CCCCNC(=S)NNS(=O)(=O)C1=CC=C(C)C=C1~    9.339
14519 CCOC(=O)[C]1(CCCC1=NNC(N)=O)CC=C~   11.133
14520 CCCCCCCNC1=C2C=NNC2=NC=N1~   12.081
14521 CCCCCCNC1=NC=NC2=C1C=NN2C~   10.876
14523 CC[CH](C)NC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C~   13.187
14524 CCCCNC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C~   13.187
14525 CN(C)CCOC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C~   14.857
14526 CN(C)CCN1C(=NC2=C1C(=O)N(C)C(=O)N2C)CO~   18.022
14527 CN1N=CC2=C1N=CN(C[CH](O)[CH](O)[CH](O)[CH](O)CO)C2=N~   19.582
14528 CN1N=CC2=C(NC[CH](O)[CH](O)[CH](O)[CH](O)CO)N=CN=C12~   21.060
14531 CC(C)CN1C=NC2=C1N=C(N)N=C2SC(C)C~    7.606
14532 CCCSC1=NC(=NC2=C1N=CN2CC(C)C)N~    7.606
14533 CCCCC1=CC(=CCC1)CC~    0.191
14536 CCN(CC)CCNC1=CC=CC=C1~    8.314
14537 CCN(CC)CCCC1=CC=CC=N1~    7.921
14539 CCCCCC[N+]1=CC(=CC=C1)C(N)=O~   15.593
14540 CN(C)CC1=C(O)C(=CC=C1)CN(C)C~   12.775
14541 CCN(CC)C(=O)C1=CC=[N+](CC)C=C1~   15.157
14542 CNC(=O)OC1=CC(=CC=C1C)[N+](C)(C)C~   18.361
14544 CC[CH](C)C1=CN=C(CC(C)C)C(=O)N1O~    9.048
14549 CN(C)CC1=CC(=C(O)C(=C1)CN(C)C)O~   16.757
14551 CN(C)CC1=C(O)C=C(CN(C)C)C(=C1)O~   16.757
14554 CCCCCCC1(CC)C(=O)NC(=S)NC1=O~    8.075
14555 CCC[CH](C)[C]1(CC)C(=O)NC(=S)N(C)C1=O~    7.857
14556 CC(C)OC(=S)SSC(=S)NCCNC(=S)SSC(=S)OC(C)C~   10.674
14557 CCC[CH](C)[C]1(CC)C(=O)NC(=O)N(C)C1=O~   11.733
14559 CCCCCCC1(CC)C(=O)NC(=O)NC1=O~   11.951
14560 CC[CH](C)C1(CC)C(=O)N(C)C(=O)N(C)C1=O~   11.514
14561 CC[C]1(CCC(C)C)C(=O)NC(=O)N(C)C1=O~   11.733
14562 CCCCN1C(=O)C[CH](SC(=S)OCN(C)C)C1=O~   12.987
14563 O=C(CCN1CC1)OCCOC(=O)CCN2CC2~   13.331
14566 CC(=O)NCCSC(=O)CCC(=O)SCCNC(C)=O~   16.662
14567 CC1(C)O[CH]([CH]2OC(C)(C)O[CH]2C(N)=O)[CH](O1)C(N)=O~   16.991
14568 O=C(OCCOCCOCCOC(=O)N1CC1)N2CC2~   13.312
14570 C[CH](CCN(CC(O)=O)CC(O)=O)N(CC(O)=O)CC(O)=O~   22.688
14571 OC(=O)CN(CCCCN(CC(O)=O)CC(O)=O)CC(O)=O~   22.688
14572 S=C(SSSSC(=S)N1CCCCC1)N2CCCCC2~    4.168
14575 CN(C)CCCNC1=NC(=NC2=C1C=NN2C)C~   14.506
14576 CCN(CC)CCNC1=C2C=NN(C)C2=NC=N1~   14.426
14577 CCCCCCCCN1N=NC2=C1N=C(N)N=C2O~   11.793
14578 CCCCCCCCOC1=NC(=NC2=C1N=NN2)N~    9.408
14579 CN(C)CCNC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C~   16.738
14580 N=C1NN=C(CCCCCCCCC2=NNC(=N)S2)S1~   15.093
14582 CC(C)(C)C1CCC(O)(CC1)C#C~    5.479
14583 O=C1CCCC[CH]1C2CCCCC2~    3.910
14585 O=C1CCC(CC1)C2CCCCC2~    3.910
14588 CC(C)=CCC[C](C)(OC(C)=O)C=C~    2.759
14589 OC(=O)CCCCCC1=CCCCC1~    5.371
14590 CC(=O)OCC=C(C)CCC=C(C)C~    2.616
14591 OC(=O)CCCCC[CH]1CCCC=C1~    5.442
14592 CCCC[CH](CC)C=C1CCOC1=O~    3.261
14594 CCOC(=O)[CH]1[CH](C=C(C)C)C1(C)C~    2.987
14595 OC1C2(CCCC2)C(O)C13CCCC3~    6.719
14596 C[CH]1CCO[CH](O1)[CH]2CC=CC[CH]2C~    3.955
14597 C[CH]1CC=CC[CH]1[CH]2O[CH](C)[CH](C)O2~    3.955
14599 OC(=O)C[CH]1CCC[CH]2CCCC[CH]12~    5.742
14600 O=C1CCCC[CH](O1)C2CCCCC2~    3.360
14602 CC1(C)COC(OC1)[CH]2CCC=CC2~    3.955
14603 CCCC[CH](C(O)=O)C1=CCCCC1~    5.371
14604 CCC[C]1(CCCCC1=O)C(=O)OCC~    6.423
14606 CC(=C)[CH]1CC[C](C)(OC(C)=O)[CH](O)C1~    7.498
14607 CCOC(=O)[C]1(CC)OC12CCCCC2~    5.064
14610 CCOC(=O)C(C)(CCC=C)C(=O)OCC~    5.646
14611 CCCCOC(=O)C=CC(=O)OCCCC~    6.120
14616 CCOC(=O)C(C(=O)OCC)C(=O)C(C)(C)C~    8.936
14617 CC(C)C(CCC(O)=O)(CCC(O)=O)C(C)=O~   13.701
14622 CCOC(=O)C(CCC1OCCO1)C(=O)OCC~    9.283
14623 CC1(C)OC[CH]2O[C]3(CO)OC(C)(C)O[CH]3[CH]2O1~   15.757
14624 CC1(C)OC[CH](O1)[CH]2O[CH](O)[CH]3OC(C)(C)O[CH]23~   15.757
14626 CCC(=O)OCC(COC(=O)CC)OC(=O)CC~    8.387
14628 CCOC(=O)CCC(C(=O)OCC)C(=O)OCC~    8.387
14629 C[C]1(COS(C)(=O)=O)[CH]2C[CH](C=C2)[CH]1COS(C)(=O)=O~    9.316
14631 OC[CH]1OC=C[CH](O)[CH]1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O~   17.703
14632 CC(C)(C)C1=CC=C(S1)C(C)(C)C~    1.710
14633 CC(C)(C)CC(C)(C)SC1=CSC=C1~    3.208
14634 CC(C)(C1=CC=CC=C1)[N+](C)(C)C~   13.426
14635 CC1=CC=CC(=C1C)C[N+](C)(C)C~   13.587
14636 CC[N+](C)(CC)CC1=CC=CC=C1~   13.426
14637 C1CC[CH]2[CH](C1)N[CH]3CCCC[CH]23~    4.616
14638 CC(=C)CN(CC(C)=C)CC(C)=C~    3.498
14639 CC(=O)N[CH]1C[CH]2CC[C]1(C)C2(C)C~    7.214
14640 O=C1CCCC[CH]1CN2CCCCC2~    7.460
14641 CC1=CC=C(OCC[N+](C)(C)C)C=C1~   14.777
14642 CC(C)CC(=O)CC(C)=NCC(C)=C~    4.558
14644 CCCCCCCCC(=O)O[CH](C)C#N~    2.333
14645 CNC(=O)OC(C)(C)[CH]1CCC(=CC1)C~    6.293
14646 C[CH]1CC(C)(C)N[CH](O1)[CH]2CCC=CO2~    6.298
14647 CCCCCCCCCOC(=O)CSC#N~    5.996
14651 CCC(=O)O[CH](C)CNC(=O)[CH](C)OC(=O)CC~   11.391
14652 CCOC(=O)C[CH](SC(=S)OCN(C)C)C(=O)OCC~   12.112
14654 CC1(C)O[CH](CO)[CH](O1)[CH]2OC(C)(C)O[CH]2C(N)=O~   18.538
14658 CS(=O)(=O)OCCN1C(=O)N(CCOS(C)(=O)=O)C(=O)N(CCOS(C)(=O)=O)C1=O~   25.450
14659 CC(C)OC1=NC(=NC(=N1)OC(C)C)OC(C)C~    5.983
14660 CN1C(=O)N(C)C2=C(N(CC[N+](C)(C)C)C=N2)C1=O~   21.770
14662 CCCCN1N=NC2=C(N=C(N)N=C12)N(CCO)CCO~   15.730
14663 C[CH]1CCC[CH]1C2CCCCC2~    0.210
14664 CCCCCC#CCCCCC~    0.983
14665 CC(C)[CH]1CC[CH]2CCCC[CH]12~    0.210
14667 C[N+]1=CC=CC(=C1)[CH]2CCC[N+]2(C)C~   15.336
14668 O=NN(C1CCCCC1)C2CCCCC2~    5.167
14669 CCCCCCCCC(=O)NCCC#N~   10.007
14670 C[CH]1CC(C)(C)N[CH](N1)[CH]2CCC=CO2~    6.812
14672 CC[CH](C)[CH](CC)C(=O)NC(=O)NC(=O)CC~   11.595
14673 CCOC(=O)N1C[CH](C)N(C[CH]1C)C(=O)OCC~    8.848
14674 CCCCCC[C]1(NC(=O)NC1=O)C(OC)OC~   11.106
14677 CC(C)OC(=O)N1CCN(CC1)C(=O)OC(C)C~    8.848
14678 CCOC(=O)N1C[CH](C)[CH](C)CN1C(=O)OCC~    7.456
14680 CNC1=NC(C)(C)C2CCC(C)(CC2)S1~    7.660
14683 C1CN=C(N1)SCCOCCOCCSC2=NCCN2~   18.936
14684 S=C(NCN1CCOCC1)C(=S)NCN2CCOCC2~   14.627
14685 CCOC(=O)N(CCCCCCN(C(=O)OCC)[N+]([O-])=O)[N+]([O-])=O~   10.361
14686 CCOC(=O)NNC(=O)OCCOCCOC(=O)NNC(=O)OCC~   20.551
14688 C(CCCSC1=NCCN1)CCSC2=NCCN2~   14.827
14690 CCCCN(CCCC)N=NC1=C(NC=N1)C(N)=O~   15.075
14691 CCN(CC)CCNC1=NC(=NC2=C1N=NN2CC)N~   14.595
14694 CC(C)[CH]1CC[CH](C)C[CH]1C(C)=O~    3.553
14695 C1CCC(CC1)OC2CCCCC2~    2.545
14696 CC(C)[CH]1CCC(=O)[CH](C1)C(C)C~    3.553
14699 CCCCCCC1CCC(=O)CC1~    3.553
14700 CCCCCCCCCC=CC=O~    3.267
14701 CC(C)CCC[CH](C)CC=CC=O~    3.267
14702 CC(=CC(C)(C)C)C(=O)C(C)(C)C~    3.455
14704 CC(=O)CCCCCCCCC=C~    3.325
14705 OC[CH](O)[CH](O)[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)C(=O)CO~   17.876
14706 OC[CH]1O[CH](OC[CH](O)[CH](O)[CH](O)[CH](O)C=O)[CH](O)[CH](O)[CH]1O~   18.469
14708 OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O~   21.350
14709 OC[CH](O)[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)C(O)=O~   20.561
14711 COC(=O)CCCCCCCCC=C~    2.777
14712 OC1(CCCCC1)C2(O)CCCCC2~    6.365
14715 CCCCCCC(C)=CC(=O)OCC~    2.907
14716 C[CH](CCOC(C)=O)CCC=C(C)C~    2.633
14717 CCC[C](C)(O)C#C[C](C)(O)CCC~    6.857
14718 CCC[CH]1O[CH](OC[CH]1CC)C=CC~    3.600
14719 CC(C)C(OCC(C)=C)OCC(C)=C~    3.300
14720 CC[CH](C)C1CCC(CC1)OC(C)=O~    3.004
14721 CC(C)[CH]1CC[CH](C)C[CH]1OC(C)=O~    3.004
14722 OC(=O)CCCCCC1CCCCC1~    5.386
14723 CCCC[CH](C1CCCCC1)C(O)=O~    5.386
14724 CC[CH](CCC(O)=O)C1CCCCC1~    5.386
14726 CCCC(OCC(C)=C)OCC(C)=C~    3.300
14727 CCC[CH](C)C(=O)OC1CCCCC1~    3.004
14728 CCC(CC)C(=O)OC1CCCCC1~    3.004
14729 CCOC(OCC)[C]1(C)CCC=CC1~    3.600
14730 CCCCCCCCC(=O)OCC=C~    2.777
14731 CC(C)[CH]1[CH](C)CCC[CH]1OC(C)=O~    3.004
14732 CC[CH](C)[CH]1CCCC[CH]1OC(C)=O~    3.004
14733 CCCCC(=O)O[CH]1CCCC[CH]1C~    3.004
14734 CCCCCCC(=O)OC1CCCC1~    3.004
14736 CCCCCCCC[CH]1CCC(=O)O1~    3.004
14737 CC(C(=O)C(C)(C)C)C(=O)C(C)(C)C~    6.616
14738 CCC1(CC)COC2(CCCC2)OC1~    3.900
14739 CCC(=O)OC1CCC(CC1)C(C)C~    3.004
14740 CCCC[CH](CC)COC(=O)C(C)=C~    2.979
14743 CC1CCC2(CC1)OCC(C)(C)CO2~    3.900
14745 CCCCCCC=C(C)C(=O)OCC~    2.907
14746 CC=C[CH]1OCC(C)(C)[CH](O1)C(C)C~    3.600
14747 CCCC1(C)COC2(CCCC2)OC1~    3.900
14749 C[CH]1CC(C)(C)OC2(CCCCC2)O1~    3.900
14750 C[CH]1CCO[C](C)(CCC=C(C)C)O1~    3.527
14752 CC(C)(C)OC(=O)CC1(O)CCCCC1~    7.441
14753 CC[C](C)(O)[CH](C1CCCCC1)C(O)=O~    9.824
14755 CCCCCCC[C]1(OC1(C)C)C(O)=O~    7.092
14756 CCCCC[C]1(OC1(C)C)C(=O)OCC~    4.710
14759 OCCCC[CH]1COC2(CCCCC2)O1~    8.337
14760 CCOC(=O)[CH](C)[CH](O)C1CCCCC1~    7.441
14762 C[CH]1CCO[C]2(CC(C)(C)OC2(C)C)O1~    6.854
14763 CCCCOC(=O)CCC(=O)OCCCC~    5.519
14764 CC(C)[CH](OC(C)=O)C(C)(C)COC(C)=O~    5.519
14765 CCOC(=O)C(CCC(C)C)C(=O)OCC~    5.519
14767 CCCOC(=O)CCCCC(=O)OCCC~    5.519
14768 CCC(=O)OCCCCCCOC(=O)CC~    5.519
14769 CC(C)CCOC(=O)C(=O)OCCC(C)C~    4.623
14770 COC(=O)CCCCCCCCC(=O)OC~    5.519
14772 CC(C)(O)[C](C)(O)C#C[C](C)(O)C(C)(C)O~    9.733
14773 CC(C)C(=O)OCC[CH](C)OC(=O)C(C)C~    5.519
14774 CC(C)C(=O)O[CH](C)[CH](C)OC(=O)C(C)C~    5.519
14775 CCCCCC(C(=O)OCC)C(=O)OCC~    5.519
14776 COC(=O)CCCCCCCCCC(O)=O~    7.900
14777 CCC(=O)OCCCC[CH]1COC(C)(C)O1~    6.413
14778 CCCCCC[CH]1OC[CH](COC(C)=O)O1~    6.413
14779 CC[CH](CC1(C)OCC(C)(C)CO1)C(O)=O~    8.796
14780 CCCCC[C]1(C)OC[CH](COC(C)=O)O1~    6.413
14781 CCOC(=O)C[CH](C)S[CH](C)CC(=O)OCC~    7.613
14782 CCCCOC(=O)C[CH](O)C(=O)OCCCC~    6.325
14783 CC(C)COC(=O)C[CH](O)C(=O)OCC(C)C~    6.325
14785 CCCCOC(=O)[CH](O)[CH](O)C(=O)OCCCC~    4.132
14786 COCCOC(=O)CCCCC(=O)OCCOC~    9.627
14788 CO[CH]1COCO[CH]1[CH](OC)[CH]2OCOC[CH]2OC~   14.173
14789 CCCCCCCCCCCC#N~    3.285
14790 C1CCC(CC1)NC2CCCCC2~    4.260
14791 CCCCCCCN[CH]1CCC=C1~    3.959
14794 N[CH]1CCCC[CH]1C2CCCCC2~    4.479
14795 C=CCNCCC1CCCCCC1~    4.032
14796 CCCC#CCN(C(C)C)C(C)C~    4.535
14798 CCCCN(CCCC)CC#CC~    4.535
14799 CCCCN1C[CH]2CCCC[CH]2C1~    4.041
14800 CCCCCCCCCOCCC#N~    5.339
14801 CC[CH](CCC1CCCCC1)C(N)=O~    7.077
14802 CN(C)C[C]1(C)CC(=O)CC(C)(C)C1~    7.104
14803 CC[N+]1(C)C[CH]2[CH]3CC[C](C)(O3)[CH]2C1~   15.616
14805 CCN1OC(C)(C)[CH]2CC[CH](C)C[CH]12~    4.575
14806 CCCCCCCC(=O)N1CCOCC1~    8.695
14807 CCCCCOC=CCN1CCOCC1~    7.023
14808 CCCCOCC(=O)NC1CCCCC1~    8.062
14809 CCN(CC)C(=O)CC1(O)CCCCC1~   11.076
14812 N[CH](CCCCC1CCCCC1)C(O)=O~    8.074
14813 CCCCN(CCCC)C(=O)OCC=C~    5.863
14816 CC1(C)C[C](C)(CN)CC2(C1)OCCO2~    7.886
14817 CC[CH]1CC[CH](C)N(C1)C(=O)OC(C)C~    6.091
14818 CCCCCCCC[CH](NC(C)=O)C(O)=O~   10.453
14821 CCCCCCCCN(CC(O)=O)CC(O)=O~   11.234
14822 CCCCCC1(C)OCC(CC)(CO1)[N+]([O-])=O~    6.788
14823 OC[CH](O)[CH](O)[CH](O)[CH](O)C(=O)NC1CCCCC1~   13.412
14825 CCOC(OCC)[CH](NC(=O)OCC)C(=O)OCC~   10.932
14826 CN(C)CC1=C(C)NC(=C1CN(C)C)C~   11.480
14827 OCCOC(=O)NCCN1CCN(CC1)C(=O)OCCO~   18.489
14828 CCN(CC)CCCCNC1=NC(=NC=C1)N~   11.236
14829 CC(=O)N[CH]1CCC[CH](C1)CC(C(=O)NN)C(=O)NN~   22.299
14832 CCCCN(CCCC)CCCC#N~    6.836
14833 C1CC(CCN1)CCC2CCNCC2~    8.029
14834 CCCCN1CC=CN(CCCC)C1~    4.544
14835 NC1CCC(CC1)C2CCC(N)CC2~    8.466
14837 CCC(=O)NCCCCN1CCCCC1~   10.409
14838 CC(=O)NCCCCCN1CCCCC1~   10.409
14840 CCN1CCC(CC1)C(=O)N(CC)CC~   10.190
14844 NC[CH]1CC[CH](COC[CH]2CC[CH](CN)O2)O1~   15.530
14846 CCOCCCN1CCN(CC1)C(=O)OCC~   11.697
14848 OCCNC(=O)CCCCCCC(=O)NCCO~   15.900
14849 NCCCO[CH]1CO[CH]2[CH](CO[CH]12)OCCCN~   17.585
14852 CCCCCCCCCN1CCNC1=S~    5.148
14853 C[CH](CN(C)C)SC1=NN=C(S[CH](C)CN(C)C)S1~   14.996
14856 CCCCCCCCCC[CH]1CO1~    2.690
14857 C[CH](O)C[CH](C)CCC(C)=C(C)C~    3.928
14859 CC(C)[CH]1CC[CH](O)[CH](C1)C(C)C~    4.572
14860 CC(C)[CH]1CCC[CH](C(C)C)[CH]1O~    4.572
14861 CCCCCCC1CCC(O)CC1~    4.572
14863 CC(C)C1CCC(CC1)C(C)(C)O~    4.572
14864 CCCCCCCCC[CH](C)C=O~    2.939
14865 CCCCCCCCCCCC=O~    2.939
14866 CCCCCCCCC(C)(C)C(O)=O~    5.031
14868 CCCCCCCCCCCC(O)=O~    5.031
14869 CO[CH](CC=O)C[CH](C)CC(C)(C)C~    4.991
14870 CC[C]1(C)OCC(C)(C)[CH](O1)C(C)C~    3.544
14871 CCC[CH]1O[C](C)(CC)OC[CH]1CC~    3.544
14872 CCCCCC[CH]1O[CH](C)C[CH](C)O1~    3.544
14874 CCCCCC[C]1(C)O[CH](C)[CH](C)O1~    3.544
14875 CCCCCCCCCC1OCCO1~    3.544
14876 CCCC[CH](CC)CC[CH](C)OC=O~    2.389
14877 CCC[CH]1OC[CH](CC)[CH](CCC)O1~    3.544
14878 CCCCCC(=O)OCC(CC)CC~    2.648
14879 CCCCCCCCCC(=O)OCC~    2.648
14880 CC(C)(C)CC(CC(C)(C)C)C(O)=O~    5.031
14882 CCC[CH](C)C(=O)O[CH](C)CC(C)C~    2.648
14883 CCCCCCOC(=O)[CH](C)CCC~    2.648
14884 CCC[CH](C)C(=O)OCC(CC)CC~    2.648
14885 CCCCCCOC(=O)C(CC)CC~    2.648
14886 CCCCCCCOC(=O)CCCC~    2.648
14887 CCCCCCCC[CH]1OC[CH](C)O1~    3.544
14889 CCCCCCC[CH]1OCC[CH](C)O1~    3.544
14890 CCCCC[CH]1O[CH](C)CC(C)(C)O1~    3.544
14893 CCCCCCCC(=O)O[CH](C)CC~    2.648
14894 CCCC(C)(C)COC(=O)CC(C)C~    2.648
14895 CCCCCCCC(=O)OCC(C)C~    2.648
14896 CCCCCCCC(=O)OC(C)(C)C~    2.648
14897 CCCCC[CH](CCC)COC(C)=O~    2.648
14898 CCCCOC(=O)[CH](CC)CC(C)C~    2.648
14899 CCCCOC(OCCCC)C=CC~    3.244
14901 CCCC1(C)OCC(CC)(CC)CO1~    3.544
14903 CCC[CH]1OCC(C)(C)[CH](O1)C(C)C~    3.544
14904 CCCCCCC(=O)OCCCCC~    2.648
14905 CCCCCCCCCCOC(C)=O~    2.648
14906 CCCC1(C)COC(C)(CCC)OC1~    3.544
14908 CCCCC[C]1(CC)OCC[CH](C)O1~    3.544
14910 COC(=O)CCCCCCCCCCS~    4.099
14911 CCCCCCCCCSCCC(O)=O~    7.126
14912 CCC(CC)C(O)(C(CC)CC)C(O)=O~    5.839
14914 CCCCCC(=O)OCCOCCCC~    4.703
14915 CCCCCC[C](C)(O)CC(=O)OCC~    7.086
14916 CCCCCCCCC[C](C)(O)C(O)=O~    5.839
14917 CCCC(C)(C)COC(=O)CCOCC~    4.703
14918 CCCCCCCCCC[CH](O)C(O)=O~    5.839
14919 CCCCCC[CH]1OC[CH](COCC)O1~    5.599
14921 CCCCO[CH]1OCCO[CH]1OCCCC~    7.654
14922 COC(CCCCCCCC(=O)OC)OC~    6.058
14923 CCCCCCCCCCS(=O)(=O)CC(O)=O~    9.226
14925 COC1C(OC)C(OC)C(OC)C(OC)C1OC~   12.462
14926 CC(C)NCCC1CCCCCC1~    3.903
14927 C1CCC[N+]2(CC1)CCCCCC2~   12.306
14928 C[CH]1CCC[N+]2(CCCCC2)CC1~   12.306
14929 C1CCC[N+]2(CCC1)CCCCC2~   12.306
14930 CC(C)C[CH](C)N=C(C)CC(C)C~    1.084
14931 CC(C)C[CH](C)N1[CH](C)CC[CH]1C~    3.686
14934 CCCC[CH](CC)[CH](N(C)C)C(C)=O~    5.449
14935 CCCCCC(=O)N(CCC)CCC~    6.284
14936 CCCCCCCCNC(=O)C(C)C~    6.502
14939 CCCCCCCCCCCC(N)=O~    6.721
14940 C[CH]1C[CH](O)[CH](CN(C)C)C(C)(C)C1~    8.123
14941 C[CH](O)CNC(=O)C[CH](C)CC(C)(C)C~   10.939
14942 CC[N+](CC)(CC)CCOC(=O)C(C)=C~   14.793
14946 CCCCCCCCCCNCC(O)=O~    7.500
14949 C[CH]1C[CH](CC(C)(C)C1)NC[CH](O)CO~    9.777
14950 CCCCCCCCCCCC(=O)NO~    9.419
14951 CCCCCCCCS(=O)(=O)N1CCOCC1~    6.295
14952 CCN(CC)CCC[CH](C)NCCC#N~   10.604
14953 CN(C)C[CH]1CCC[CH](CN(C)C)C1=NO~   11.457
14954 CCCCCCCCOC(=O)NCCSC(N)=N~   13.559
14957 C1CC[N+]2(C1)CC[N+]3(CCCC3)CC2~   18.478
14958 CN(C)CCCC[CH]1CCCN(C)C1~    7.237
14960 CCCCCCN(CCCCCC)N=O~    4.456
14962 CCCCN1CCN(CCCO)C[CH]1C~   11.674
14963 C[CH]1CN(CCCO)CCN1C(C)(C)C~   11.674
14964 CC(C)N1CCN(CCCCO)C[CH]1C~   11.674
14965 CN(C)C[CH]1CCC[CH](CN(C)C)[CH]1O~   11.674
14966 CC1(C)CN(CCO)C(C)(C)CN1CCO~   13.110
14967 CCOCCN1CCN(CCOCC)CC1~   11.346
14968 CCCCN(C)CCOC(=O)N(CC)CC~    9.286
14970 CCSCN1C[CH](C)N(CSCC)C[CH]1C~    6.086
14972 CCNC(=O)NCCCCCCNC(=O)NCC~   18.714
14973 NC(=N)SCCCCCCCCCCSC(N)=N~   14.991
14974 CCCCNC(=N)SCCSC(=N)NCCCC~   14.553
14975 CN(C)CCCNC(=S)C(=S)NCCCN(C)C~   14.807
14977 CCCCCC(C)(O)CCCCC~    4.016
14978 CCCCC(O)(CCC)CCCC~    4.016
14979 CCCCC[C](C)(O)CC(C)(C)C~    4.016
14981 CC(C)CCC(O)(C(C)C)C(C)C~    4.016
14982 CCCCCC[CH](CO)CCCC~    4.016
14983 CCCCCCCCCCCCO~    4.016
14985 CCCCCCOCCCCCC~    1.833
14986 CC(C)C(O)(C(C)(C)C)C(C)(C)C~    4.016
14988 CCCCCC(CO)CCCCC~    4.016
14989 CCCCCCCCCCOCCS~    3.284
14991 CCCCCCCCCC[CH](O)CO~    5.654
14992 CCCCOCCCCOCCCC~    3.889
14993 CCCCCCCCCC(OC)OC~    3.188
14994 CCCCC[CH](C[CH](OC)OCC)OC~    5.243
14996 CC(C)OC[CH](C)O[CH](C)COC[CH](C)O~   10.380
14997 CCC(C)(OOC(C)(C)C)OOC(C)(C)C~    3.081
14998 CCCCS(=O)(=O)OCCCCOS(=O)(=O)CCCC~    8.548
14999 CC(C)CS(=O)(=O)OCCCCOS(=O)(=O)CC(C)C~    8.548
15002 CCCCCCSCCCCCC~    1.873
15003 CCCCCCCCCCCCS~    1.229
15005 CCCCCCNCCCCCC~    3.548
15006 CCCC[CH](CC)CN(CC)CC~    3.330
15007 CCCCCCCCCCN(C)C~    3.330
15010 CC(C)C[CH](C)N[CH](C)CC(C)C~    3.548
15011 CCCC[CH](CC)CN(CCO)CCO~    9.204
15013 CCOC(CNCC(OCC)OCC)OCC~   11.067
15014 OCCN(CCO)CCN1CCN(CCO)CC1~   18.098
15015 C[N+]1(CCCC1)CC[N+]2(C)CCCC2~   18.122
15016 CN(C)CCCCC(=O)CC[N+](C)(C)C~   18.564
15018 OCCN(CCO)CCCCN(CCO)CCO~   15.629
15019 C[CH](O)CN(C[CH](C)O)N(C[CH](C)O)C[CH](C)O~   14.238
15021 CCN(CC)S(=O)(=O)N1CCN(CC1)S(=O)(=O)N(CC)CC~   10.866
15022 NC(=N)NCCCCCCCCCCNC(N)=N~   18.339
15023 NNC(=N)SCCCCCCCCCCSC(=N)NN~   19.750
15025 CCN(CC)CCC[CH](C)NCCCN~   11.087
15026 CCN(CC)CCNCCN(CC)CC~   10.650
15027 CCN(CC)CC(CN(CC)CC)NC~   10.650
15032 C[N+](C)(C)CCCCCC[N+](C)(C)C~   17.411
15033 O=C1C(=C(SC#N)C(=O)C2=C1C=CC=C2)SC#N~   14.107
15034 [O-][N+](=O)C1=CC(=C(C2=C(C=C(C=C2[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)C(=C1)[N+]([O-])=O)[N+]([O-])=O~   17.807
15035 [O-][N+](=O)C1=C2C=CC=C3C(=O)C(=O)C(=C23)C=C1~   10.759
15037 [O-][N+](=O)C1=CC2=C3C(=C1)C=CC=C3C(=O)OC2=O~    8.613
15038 [O-][N+](=O)C1=CC(=C2NC3=C(C=C(C=C3C2=C1)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O~   13.372
15039 [O-][N+](=O)C1=CC(=C(NC2=C(C=C(C=C2[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)C(=C1)[N+]([O-])=O)[N+]([O-])=O~   16.633
15041 [O-][N+](=O)C1=CC2=C3C(=C1)C=CC=C3C(=O)NC2=O~   11.405
15043 S1C=CC=C1C2=NC3=C(S2)N=C(S3)C4=CC=CS4~   12.334
15045 [O-][N+](=O)C1=CC(=C(SC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1)[N+]([O-])=O~   14.119
15046 [O-][N+](=O)C1=CC(=C(SSC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1)[N+]([O-])=O~   13.932
15047 [O-][N+](=O)C1=CC(=C(OC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1)[N+]([O-])=O~   13.544
15049 O=C1OC(=O)C2=C3C=CC=CC3=CC=C12~    6.208
15050 O=C1OC(=O)C2=CC=CC3=CC=CC1=C23~    6.208
15052 [O-][N+](=O)C1=CC2=C(SC3=CC=CC=C23)C=C1~    7.480
15053 OC1=CC=C2N=C3C=CC(=O)C=C3SC2=C1~   12.203
15055 [O-][N+](=O)C1=CC2=C(C=C1)C3=CC=CC=C3O2~    6.790
15056 OC1=CC=C2N=C3C=CC(=O)C=C3OC2=C1~   11.520
15057 OC1=CC2=C(C=C1)[N+](=C3C=CC(=O)C=C3O2)[O-]~   18.616
15058 OC(=O)C1=CC=CC2=C(C=CC(=C12)C(O)=O)[N+]([O-])=O~   15.075
15059 COC1=C2OC(=O)C=CC2=C(C3=C1OC=C3)[N+]([O-])=O~    9.801
15060 NC1=C2C=CC=C3C(=O)OC(=O)C(=C23)C=C1S(O)(=O)=O~   15.511
15062 [O-][N+](=O)C1=CC2=C(C=C1)N(N=O)C3=CC=CC=C23~    8.777
15063 [O-][N+](=O)C1=CC2=[N+]([O-])C3=C(C=CC=C3)N=C2C=C1~   14.959
15064 [O-][N+](=O)C1=CC2=[N+]([O-])C3=C(C=CC=C3)[N+](=C2C=C1)[O-]~   19.959
15065 [O-][N+](=O)C1=CC2=C(NC3=C(C=C(C=C3)[N+]([O-])=O)S2=O)C=C1~   16.564
15066 [O-][N+](=O)C1=CC(=CC=C1)OC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O~   11.140
15067 [O-][N+](=O)C1=CC=C(OC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1~   11.140
15071 NC1=C2C=CC=CC2=C(SC#N)C=C1SC#N~   12.308
15072 [O-][N+](=O)C1=CC(=C(NC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1)[N+]([O-])=O~   12.914
15073 C1=CC2=C(N=C1)C3=C(C=CC=N3)C=C2~   10.056
15074 C1=CC2=NC3=CC=CC=C3N=C2C=C1~    7.556
15076 C1=CC2=C(N=C1)C3=CC=CN=C3C=C2~   10.056
15078 C1=CC2=C(C=C1)C3=C(C=C2)N=CC=N3~    7.556
15079 O=NN1C2=CC=CC=C2C3=CC=CC=C13~    6.374
15080 [N-]=[N+]=CC(=O)C1=CC2=C(C=CC=C2)C=C1~    5.058
15081 [O-][N+]1=C2C=CC=CC2=NC3=C1C=CC=C3~   12.556
15082 NN=C1C(=O)C2=CC=CC3=CC=CC1=C23~    9.057
15084 CC(=O)OC1=CC=C(C=C1)C=C(C#N)C#N~    9.783
15085 O=C(C(=O)C1=CC=CC=N1)C2=CC=CC=N2~   13.879
15087 ON=C1C2=C3C(=CC=C2)C=CC=C3C1=NO~   11.991
15088 CN1C(=O)C(=O)N2C3=C(C=CC=C3)C=C2C1=O~   11.440
15089 [O-][N+](=O)C1=C(C=CC=C1)C=CC=C2SC(=S)NC2=O~   10.987
15090 [O-][N+](=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[N+]([O-])=O~    8.191
15091 [O-][N+](=O)C1=CC(=C(C=C1)C2=CC=CC=C2)[N+]([O-])=O~    8.191
15092 [O-][N+](=O)C1=C(C=CC=C1)C2=C(C=CC=C2)[N+]([O-])=O~    8.191
15093 [O-][N+](=O)C1=CC=C(C=C1)C2=CC=CC(=C2)[N+]([O-])=O~    8.191
15095 [O-][N+](=O)C1=CC=C(SC2=CC=C(C=C2)[N+]([O-])=O)C=C1~    9.311
15096 [O-][N+](=O)C1=C(SSC2=C(C=CC=C2)[N+]([O-])=O)C=CC=C1~    9.123
15097 [O-][N+](=O)C1=CC=C(SSC2=CC=C(C=C2)[N+]([O-])=O)C=C1~    9.123
15098 [O-][N+](=O)C1=CC(=CC=C1)SSC2=CC(=CC=C2)[N+]([O-])=O~    9.123
15099 OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C2=CC=CC=C2~    8.674
15100 [O-][N+](=O)C1=CC=C(OC2=CC=C(C=C2)[N+]([O-])=O)C=C1~    8.738
15101 [O-][N+](=O)C1=CC(=C(OC2=CC=CC=C2)C=C1)[N+]([O-])=O~    8.738
15103 [O-][N+](=O)C1=CC=C(OC2=CC(=CC=C2)[N+]([O-])=O)C=C1~    8.738
15105 [O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O~   11.411
15106 [O-][N+](=O)C1=CC(=C(C=C1)S(=O)(=O)C2=CC=CC=C2)[N+]([O-])=O~   11.411
15107 OC1=CC(=C(SC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1)O~   17.277
15108 [O-][N+](=O)C1=CC(=CC=C1S)S(=O)(=O)C2=CC=C(S)C(=C2)[N+]([O-])=O~   13.438
15109 OC1=CC=C(C=C1[N+]([O-])=O)S(=O)(=O)C2=CC=C(O)C(=C2)[N+]([O-])=O~   12.377
15110 S1C2=C(C=CC=C2)N=C1C3=CC=CN=C3~   10.425
15111 S1C2=CC=CC=C2N=C1C3=CC=NC=C3~   10.425
15113 [N-]=[N+]=NC1=CC2=C(NC3=CC=CC=C23)C=C1~    8.633
15115 [O-][N+](=O)C1=CC=C(O1)C2=NN=C(NC3=CC=CC=C3)S2~   13.037
15116 [O-][N+](=O)C1=CC=C(C=C1)N=[N+]([O-])C2=CC=C(C=C2)[N+]([O-])=O~   16.735
15117 S1C(=NN=C1C2=CC=NC=C2)C3=CC=NC=C3~   13.804
15118 O1C2=CC=CC=C2C3=CC=CC=C13~    4.386
15120 O=C1CC2=CC=CC3=CC=CC1=C23~    6.455
15121 O1C2=CC=CC=C2SC3=C1C=CC=C3~    5.506
15122 O=S1C2=C(SC3=C1C=CC=C3)C=CC=C2~   10.281
15123 O=C1C=CC(=O)C(=C1)C2=CC=CC=C2~   10.263
15124 OC1=CC2=C(OC3=CC=CC=C23)C=C1~    8.484
15125 O=C1OCC2=CC=CC3=CC=CC1=C23~    5.907
15126 O=CC(=O)C1=CC2=C(C=CC=C2)C=C1~    8.282
15127 O=S1C2=C(OC3=C1C=CC=C3)C=CC=C2~    9.706
15128 O=S1C2=C(C=CC=C2)S(=O)C3=C1C=CC=C3~   14.481
15130 OC(=O)C1=C(C=C2C=CC=CC2=C1)C(O)=O~   12.672
15131 OC(=O)C1=CC=C2C=CC=CC2=C1C(O)=O~   12.672
15133 O=C1C=C[CH]2[CH]3C=C[CH]([CH]2C1=O)C(=O)C3=O~   13.114
15134 COC1=C2OC(=O)C=CC2=CC3=C1OC=C3~    7.398
15135 O=S1(=O)C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C13~   10.281
15136 O[C]1(C(=O)C2=CC=CC3=C2C1=CC=C3)S(O)(=O)=O~   14.029
15137 OS(=O)(=O)C1=CC=C2OC3=C(SC2=C1)C=C(C=C3)S(O)(=O)=O~   18.167
15138 S1C2=CC=CC=C2C3=CC=CC=C13~    4.963
15139 S1C2=CC=CC=C2SC3=C1C=CC=C3~    6.081
15140 N1C2=CC=CC=C2C3=CC=CC=C13~    6.437
15141 N#CCC1=C2C=CC=CC2=CC=C1~    6.618
15145 O=C(C1=CC=CC=C1)C2=CC=CC=N2~    8.595
15146 ON=C1CC2=CC=CC3=CC=CC1=C23~    7.770
15147 O=C(C1=CC=CC=C1)C2=CC=CN=C2~    8.595
15148 O=S1C2=C(NC3=C1C=CC=C3)C=CC=C2~   11.757
15149 O=C1NC(=S)SC1=CC=CC2=CC=CC=C2~    8.585
15151 [O-][N+](=O)C1=CC=C(C=C1)C2=CC=CC=C2~    5.788
15152 [O-][N+](=O)C1=C(C=CC=C1)C2=CC=CC=C2~    5.788
15153 OC1=CC=C(C=C1)N=C2C=CC(=O)C=C2~   10.712
15154 OC(=O)C=CC1=NC2=C(C=CC=C2)C=C1~   11.783
15155 [O-][N+](=O)C1=C2C=CC=C3CCC(=C23)C=C1~    4.272
15156 COC1=CC2=C(C=CC=C2)C=C1N=C=O~    5.873
15158 [O-][N+](=O)C(=CC1=CC=CS1)C2=CC=CC=C2~    7.073
15159 O=C(CC(=O)C1=CC=NC=C1)C2=CC=CS2~   12.032
15160 [O-][N+](=O)C1=C(OC2=CC=CC=C2)C=CC=C1~    6.333
15161 [O-][N+](=O)C1=CC=C(OC2=CC=CC=C2)C=C1~    6.333
15162 OC1=C(C=C(C=C1)[N+]([O-])=O)C2=CC=CC=C2~    9.770
15163 CC(=O)NC1=CC(=O)C2=C(C=CC=C2)C1=O~   13.562
15165 [O-][N+](=O)C1=CC=CC(=C1)OC2=CC=CC=C2~    6.333
15167 COC(=O)C1=C(O)C(=C2C=CC=CC2=C1)[N+]([O-])=O~    5.256
15168 [O-][N+](=O)C1=CC=C(C=C1)C(=O)OCC2=CC=CO2~    7.959
15169 [O-][N+](=O)C1=CC(=CC=C1)S(=O)(=O)OC2=CC=CC=C2~    8.928
15171 N#CCSC1=CC2=C(C=CC=C2)C=C1~    8.197
15172 N#CCSC1=C2C=CC=CC2=CC=C1~    8.197
15173 N1C2=C(C=CC=C2)N=C1C3=CC=CC=N3~   10.434
15174 [O-][N+](=O)C1=CC=C(C=C1)N=NC2=CC=CC=C2~    7.237
15176 O=C1NC(=O)C(N1)=CC2=CNC3=C2C=CC=C3~   13.896
15177 OC1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+]([O-])=O~   11.219
15179 OC1=CC(=C(C=C1)N=NC2=CC(=CC=C2)[N+]([O-])=O)O~   15.202
15180 OC1=CC(=C(C=C1)N=NC2=C(C=CC=C2)[N+]([O-])=O)O~   15.202
15181 [O-][N+](=O)C1=CC(=C(NC2=CC=CC=C2)C=C1)[N+]([O-])=O~    9.446
15182 [O-][N+](=O)C1=CC=C(NC2=CC=C(C=C2)[N+]([O-])=O)C=C1~   10.785
15183 NC1=C(SC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C=CC=C1~   12.762
15186 NC1=C(C#N)C(=NN1C2=CC=CC=C2)CC#N~   16.678
15187 C1=CC=C(C=C1)C2=NN=NN2C3=CC=CC=N3~   12.652
15188 OC1=C2N=CN(N=CC3=CC=CC=C3)C2=NC=N1~   14.839
15189 NC1=NC(=C2N=C(C(=NC2=N1)O)C3=CC=CC=C3)O~   18.793
15191 CC1=NC(=C2C=NN(C3=CC=C(C=C3)[N+]([O-])=O)C2=N1)S~   13.932
15192 [O-][N+](=O)C1=CC=C(CSC2=C3N=CNC3=NC=N2)C=C1~   13.144
15193 [O-][N+](=O)C1=C(CSC2=C3N=CNC3=NC=N2)C=CC=C1~   13.144
15194 [O-][N+](=O)C1=CC=C(NN=NC2=CC=C(C=C2)[N+]([O-])=O)C=C1~   12.020
15196 [O-][N+](=O)C1=CC=C(NN=CC2=CC(=CC=C2)[N+]([O-])=O)N=C1~   14.077
15197 [O-][N+](=O)C1=CC=C(NN=CC2=C(C=CC=C2)[N+]([O-])=O)N=C1~   14.077
15198 [O-][N+](=O)C1=CC(=C(NNC2=CC=CC=C2)C(=C1)[N+]([O-])=O)[N+]([O-])=O~   11.799
15199 [O-][N+](=O)C1=CC=C(C=C1)C=NNC2=C3N=CNC3=NC=N2~   16.223
15200 C1C2=CC=CC=C2C3=C1C=CC=C3~    3.777
15201 CC1=C2C=CC=NC2=C3N=CC=CC3=C1~   10.013
15205 NN=C1C2=C(C=CC=C2)C3=CC=CC=C13~    7.678
15206 NC1=C2C=CC=CC2=NC3=C1C=CC=C3~   10.625
15207 N1C2=C(C=CC=C2)N=C1C3=CC=CC=C3~    7.550
15210 O=C1N(NC2=C1C=CC=C2)C3=CC=CC=C3~    9.924
15212 CC(=O)NC1=CC=C2C=CC=CC2=C1C#N~   11.235
15213 NC1=CC(=C2C3=C(C=CC=C3)C(=O)C2=C1)N~   13.073
15214 [O-][N+](=O)C1=CC=CC(=C1)N=CC2=CC=CC=C2~    6.411
15220 [O-][N+](=O)C1=CC=CC(=C1)C=CC2=CC=CC=N2~    9.194
15222 COC1=CC2=[N+]([O-])C3=C(C=CC=C3)N=C2C=C1~   13.783
15223 [O-][N+](=O)C1=CC=C(C=CC2=CC=CC=N2)C=C1~    9.194
15225 OC1=C(C=CC=C1)N=CC2=C(C=CC=C2)[N+]([O-])=O~   10.394
15226 OC1=C(C=CC=C1)N=CC2=CC=C(C=C2)[N+]([O-])=O~   10.394
15228 OC1=CC=C(C=C1)N=CC2=CC(=CC=C2)[N+]([O-])=O~   10.394
15230 OC1=CC=C(C=C1)N=CC2=CC=C(C=C2)[N+]([O-])=O~   10.394
15231 OC(=O)C1=CC=CC(=C1O)N=NC2=CC=CC=C2~   10.411
15232 COC1=CC2=[N+]([O-])C3=C(C=CC=C3)[N+](=C2C=C1)[O-]~   18.783
15233 OC(=O)C1=CC(=CC=C1O)N=NC2=CC=CC=C2~   10.411
15235 [O-][N+](=O)C1=CC=C(CC2=CC=C(C=C2)[N+]([O-])=O)C=C1~    8.127
15236 OC(=O)C1=C(NC2=CC=CC=C2)C=CC(=C1)[N+]([O-])=O~   13.079
15237 [O-][N+](=O)C1=CC=C(OC(=O)NC2=CC=CC=C2)C=C1~   10.498
15238 NC(=O)C(=CC1=CC=C(O1)[N+]([O-])=O)C2=CC=CC=C2~   13.332
15239 CC1=CC(=C(SC2=CC=CC=C2)C(=C1)[N+]([O-])=O)[N+]([O-])=O~    9.268
15240 OC(=O)C(=C)NC(=O)CN1C(=O)C2=C(C=CC=C2)C1=O~   16.613
15241 [O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NC=O)C=C2~   14.812
15242 OC1=C(CC2=C(O)C=CC(=C2)[N+]([O-])=O)C=C(C=C1)[N+]([O-])=O~   16.092
15243 OC(=O)C1=CC(=CC=C1O)N=NC2=CC=C(C=C2)S(O)(=O)=O~   16.742
15244 OS(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1~   17.648
15245 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O~   11.291
15246 N(C1=NC2=C(S1)C=CC=C2)C3=CC=CC=C3~   10.137
15247 NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2~   10.996
15248 S=C1NC2=C(NC3=C1C=CC=C3)C=CC=C2~    9.719
15250 N#CC1(C#N)[CH]2CCC[CH](C=C2)C1(C#N)C#N~   14.444
15251 NC(=O)[CH](N=NC1=C2C=CC=CC2=CC=C1)C#N~   14.144
15252 NC(=O)[CH](N=NC1=CC2=C(C=CC=C2)C=C1)C#N~   14.144
15253 O=C(CSC1=C2N=CNC2=NC=N1)C3=CC=CC=C3~   13.523
15254 [O-][N+](=O)C1=CC=C(C=C1)C=NNC(=O)C2=CC=NC=C2~   14.607
15255 [O-][N+](=O)C1=CC(=C(NN=CC2=CC=CC=C2)C=C1)[N+]([O-])=O~    9.854
15257 [O-][N+](=O)C1=CC=C(NN=CC2=CC3=C(OCO3)C=C2)N=C1~   14.607
15259 [O-][N+](=O)C1=CC=CC(=C1)NC(=O)NC2=CC(=CC=C2)[N+]([O-])=O~   14.762
15260 [O-][N+](=O)C1=C(NC(=O)NC2=C(C=CC=C2)[N+]([O-])=O)C=CC=C1~   12.082
15261 [O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C=CC=C2)[N+]([O-])=O~   11.848
15262 [O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC(=CC=C2)[N+]([O-])=O~   11.848
15263 OC1=CC=C(C=C1C=NNS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O)[N+]([O-])=O~   15.830
15265 CC1=C2N=CN(N=CC3=CC=C(C=C3)[N+]([O-])=O)C2=NC=N1~   13.217
15266 NC(=O)N(N=CC1=CC=C(O1)[N+]([O-])=O)C(=O)NC2=CC=C(C=C2)[N+]([O-])=O~   18.426
15267 O=CC1=C2C=CC=C3CCC(=C23)C=C1~    4.607
15268 OC1C2=C(C=CC=C2)C3=CC=CC=C13~    8.213
15269 O=C(C1=CC=CC=C1)C2=CC=CC=C2~    5.712
15271 OC1=CC2=C(C=C1)C3=CC=CC=C3C2~    7.759
15272 O=CC1=CC=C(C=C1)C2=CC=CC=C2~    5.987
15273 O=C1CCC2=CC=C3C=CC=CC3=C12~    6.332
15275 OC1=C(C=CC=C1)C(=O)C2=CC=CC=C2~    6.595
15276 OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2~    9.695
15277 O=C(C=CC1=CC=CO1)C2=CC=CC=C2~    6.636
15278 OC1C2=C(OC3=C1C=CC=C3)C=CC=C2~    8.759
15279 OC(=O)C1=CC=C(C=C1)C2=CC=CC=C2~    8.079
15280 O=C(OC1=CC=CC=C1)C2=CC=CC=C2~    4.893
15281 OC(=O)C(=C)C1=C2C=CC=CC2=CC=C1~    8.900
15282 SC1=CC=C(OC(=O)C2=CC=CC=C2)C=C1~    5.907
15283 OC(=O)C1=C(SC2=CC=CC=C2)C=CC=C1~    9.199
15284 OC(=O)C1=CC=C(SC2=CC=CC=C2)C=C1~    9.199
15285 OC1=C(C=CC=C1)C(=O)C=CC2=CC=CS2~    7.783
15286 OC(=O)C1=CC(=CC=C1O)C2=CC=CC=C2~    8.963
15287 OC(=O)C1=CC=CC(=C1O)C2=CC=CC=C2~    8.963
15288 OC1=CC=C(C=C1)C(=O)C2=CC=C(O)C=C2~   13.678
15290 OC1=CC=CC(=C1)OC(=O)C2=CC=CC=C2~    8.873
15292 O=C(C1CC1)C2C(=O)C3=CC=CC=C3C2=O~   11.509
15296 OC(=O)C(=CC1=CC=CO1)C2=CC=CC=C2~    9.238
15297 O=C(OC1=CC=CC=C1)OC2=CC=CC=C2~    4.072
15299 OC(=O)C1=C(OC2=CC=CC=C2)C=CC=C1~    8.625
15300 OC1=C(C=CC=C1)C(=O)C=CC2=CC=CO2~    7.519
15301 O=C1OC2=C(CCCC3=C2C=CC=C3)C1=O~    7.357
15302 OC1=CC=C(OC(=O)C2=CC=CC=C2)C=C1~    8.873
15305 CC(=O)OC1=CC2=C(C=CC=C2)C=C1C(O)=O~    9.896
15306 OC1=C(O)C(=C(C=C1)C(=O)C2=CC=CC=C2)O~   14.561
15307 OC1=C(COC1=O)C(=O)C=CC2=CC=CC=C2~    9.225
15309 OC(=O)C(C(O)=O)C1=C2C=CC=CC2=CC=C1~   13.493
15310 CC(=O)OC1=C2C=CC=CC2=CC=C1C(O)=O~    9.896
15311 OC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2~   11.299
15313 OC(=O)C1=CC=CC(=C1)S(=O)(=O)C2=CC=CC=C2~   11.299
15314 OCC1=CC(=O)C(=C(O1)C(=O)C2=CC=CC=C2)O~    9.848
15315 OC1=CC(=C(C=C1)C(=O)C2=C(O)C=C(O)C=C2)O~   15.442
15316 SC1C2=C(C=CC=C2)C3=CC=CC=C13~    5.226
15317 C1=CC=C(C=C1)C=NC2=CC=CC=C2~    4.007
15320 CC1=CC2=C(C=C1)C3=CC=CC=C3N2~    6.394
15323 NC1C2=C(C=CC=C2)C3=CC=CC=C13~    7.764
15324 NC1=CC2=C(C=C1)C3=CC=CC=C3C2~    7.228
15325 C1C2=CC=CC=C2NC3=C1C=CC=C3~    6.372
15327 C1=CC=C(C=C1)C=CC2=CC=NC=C2~    6.790
15329 OC1=CC=C(C=C1)N=CC2=CC=CC=C2~    7.991
15331 O=C(NC1=CC=CC=C1)C2=CC=CC=C2~    8.914
15332 O=CN(C1=CC=CC=C1)C2=CC=CC=C2~    7.362
15333 OC1=CC=C2C=CC=CC2=C1CCC#N~   10.478
15334 NC1=CC=C(C=C1)C(=O)C2=CC=CC=C2~    9.164
15335 NC1=C(C=CC=C1)C(=O)C2=CC=CC=C2~    9.164
15336 NC1=CC2=C(C=C1)C3=CC=CC=C3[CH]2O~   11.666
15337 OC1=C(C=CC=C1)C=NC2=CC=CC=C2~    7.991
15338 OC1=CC(=CC=C1)C=CC2=CC=NC=C2~   10.772
15340 O=CNC1=C2C=CC=C3CCC(=C23)C=C1~    7.391
15341 NC1=C2CC3=CC=CC=C3C2=CC=C1O~   11.211
15342 O=CNC1=CC=C(C=C1)C2=CC=CC=C2~    9.188
15344 O=C(CC1=CC=CN=C1)C2=CC=CC=C2~    8.983
15345 CN1C2=C(C=CC=C2)S(=O)C3=C1C=CC=C3~   10.445
15346 C=CCN1C(=S)SC(=CC2=CC=CC=C2)C1=O~    8.226
15348 OC1=C(C=CC=C1)C=NC2=C(O)C=CC=C2~   11.971
15350 OC(=O)C1=C(NC2=CC=CC=C2)C=CC=C1~   10.676
15351 CC1=C(C=CC(=C1)O)N=C2C=CC(=O)C=C2~   10.670
15352 CC1=CC(=CC=C1O)N=C2C=CC(=O)C=C2~   10.670
15353 OC1=C(C=CC=C1)C(=O)NC2=CC=CC=C2~    9.796
15354 OC(=O)C1=C2CCCC2=NC3=C1C=CC=C3~   11.005
15355 OC1=C(NC(=O)C2=CC=CC=C2)C=CC=C1~   12.896
15356 O=C(NC1=CC=CC=C1)OC2=CC=CC=C2~    8.093
15357 COC1=CC=C(C=C1)C(=O)C2=CC=CC=N2~    9.824
15358 ON(C1=CC=CC=C1)C(=O)C2=CC=CC=C2~   10.642
15361 CC1=C(SC2=C(C=CC=C2)[N+]([O-])=O)C=CC=C1~    6.863
15362 CC1=C(SC2=CC=C(C=C2)[N+]([O-])=O)C=CC=C1~    6.863
15363 OC1=CC(=C(NC(=O)C2=CC=CC=C2)C=C1)O~   16.879
15364 OC1=C(O)C(=C(C=C1)C=NC2=CC=CC=C2)O~   15.955
15365 [O-][N+](=O)C1=CC=C(OCC2=CC=CC=C2)C=C1~    6.991
15366 OC1=C(CN2CC2)C(=O)C3=C(C=CC=C3)C1=O~   12.078
15368 NC1=CC(=C(C=C1)C(=O)OC2=CC=CC=C2)O~    9.226
15369 O=C(NS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2~    9.567
15370 CC1=C(SC2=C(C=CC=C2)[N+]([O-])=O)C=CC(=C1)O~   10.848
15371 COC1=CC=C(OC2=CC=C(C=C2)[N+]([O-])=O)C=C1~    7.561
15373 OS(=O)(=O)C1=CC=C(NC(=O)C2=CC=CC=C2)C=C1~   15.243
15374 OC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2~   11.329
15375 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)[N+]([O-])=O~    8.886
15377 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[N+]([O-])=O~    8.886
15378 OC(=O)CC[CH](N1C(=O)C2=CC=CC=C2C1=O)C(O)=O~   16.360
15379 CN1C2=C(SC3=C1C=CC(=C3)S(O)(=O)=O)C=C(C=C2)S(O)(=O)=O~   18.907
15380 CN1C2=C(SC3=C1C=CC=C3)C=CC=C2~    6.245
15383 NNC1=C2C=CC=CC2=NC3=CC=CC=C13~   13.003
15384 NN1C2=CC=CC=C2N=C1C3=CC=CC=C3~   10.418
15385 NN=C1C2=C(C=CC=C2)C3=CC=C(N)C=C13~   11.130
15386 [O-][N+](=O)C1=C(NN=CC2=CC=CC=C2)C=CC=C1~    7.450
15388 OC1=CC=CC(=C1)C=NNC(=O)C2=CC=NC=C2~   16.186
15389 NN=C(C1=CC=CC=C1)C2=CC(=CC=C2)[N+]([O-])=O~    9.625
15390 NN=C(C1=CC=CC=C1)C2=CC=C(C=C2)[N+]([O-])=O~    9.625
15391 NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3S2~   14.243
15392 NC1=CC=C(C=C1)N=NC2=CC=C(O)C(=C2)C(O)=O~   13.863
15393 CN1C(=O)N(C)C2=C(N=C(O2)C3=CC=CC=C3)C1=O~   12.618
15395 NNC(=O)C1=CC=C(SC2=CC=C(C=C2)[N+]([O-])=O)C=C1~   15.672
15396 CC1=C(N=NC2=CC=C(C=C2)[N+]([O-])=O)C(=CC(=C1)O)O~   15.159
15397 [O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=CC=C2~    9.444
15400 NS(=O)(=O)C1=CC=C(C=C1)N=NC2=CC=C(O)C(=C2)C(O)=O~   14.517
15401 OC(=O)C=CC(=O)NC1=CC=CC(=N1)NC(=O)C=CC(O)=O~   25.049
15404 CC1=CC=C(C=C1)N2N=NN=C2C3=CC=CN=C3~   12.609
15405 CC(=O)NC1=CC=C(SC2=C3N=CNC3=NC=N2)C=C1~   16.287
15406 NC1=NC2=C(N=CN2)C(=N1)SCC(=O)C3=CC=CC=C3~   13.425
15407 COC(=O)C1=CC=C(NC2=C3N=CNC3=NC=N2)C=C1~   15.604
15408 [O-][N+](=O)C1=CC=C(NC(=N)NC2=CC=C(C=C2)[N+]([O-])=O)C=C1~   15.955
15409 [O-][N+](=O)C1=CC=C(NC(=O)NNC(=O)C2=CC=NC=C2)C=C1~   20.554
15410 NN1C=NC2=C(C1=N)C(=NN2C3=CC=CC=C3)CC#N~   19.842
15411 C(C1=CC=CC=C1)C2=CC=CC=C2~    3.319
15413 CC1=CC(=NC=C1)N=CC2=CC=CC=C2~    6.848
15414 NN=C(C1=CC=CC=C1)C2=CC=CC=C2~    7.220
15416 NC1=CC2=C(C=C1)C3=C(N)C=CC=C3C2~   10.680
15417 NC1=CC2=C(C=C1)C3=CC=C(N)C=C3C2~   10.680
15419 N#CC1=CC=CC=[N+]1CC2=CC=CC=C2~   12.932
15420 C[N+]1=C2C=CC=CC2=C3C=CC=CC3=N1~   12.234
15422 N#CCCNC1=CC2=C(C=CC=C2)C=C1~    9.648
15424 N=C(NC1=CC=CC=C1)C2=CC=CC=C2~    7.996
15426 NC1=CC=C(C=C1)C(=O)C2=CC=C(N)C=C2~   12.614
15427 CC1=C(C=CC(=C1)O)N=NC2=CC=CC=C2~    8.772
15429 NC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2~    8.983
15430 COC1=CC=C(C=C1)N=NC2=CC=CC=C2~    6.060
15431 O=C(NNC1=CC=CC=C1)C2=CC=CC=C2~   11.292
15432 COC1=CC=C2C(=C1)NC3=C(C)N=CC=C23~   10.504
15433 COC1=C(C=CC=C1)N=NC2=CC=CC=C2~    6.060
15435 C[CH](C1=CC=CC=N1)C(=O)C2=CC=NC=C2~   11.745
15436 O=CNN(C1=CC=CC=C1)C2=CC=CC=C2~    9.740
15437 NC1=C(C=CC=C1)C(=O)NC2=CC=CC=C2~   12.365
15438 ON=C(C(=O)C1=CC=CC=C1)[N+]2=CC=CC=C2~   16.620
15439 COC1=CC=C(C=C1)N=NC2=CC=C(O)C=C2~   10.043
15440 CC1=CC=C(NC2=CC=C(C=C2)[N+]([O-])=O)C=C1~    8.340
15444 CCOC(=O)[CH](C#N)[CH](C#N)C1=CC=CC=C1~   11.368
15445 O=C1OCCC1=CC2=CC=C(NCC#N)C=C2~   12.036
15446 OC1=C(NC(=S)NC2=C(O)C=CC=C2)C=CC=C1~   15.284
15448 NC(=O)SCC(=O)NC1=C2C=CC=CC2=CC=C1~   11.000
15450 [O-][N+](=O)C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2~   16.102
15452 O[CH](CC1=CC=CC=N1)C2=C(C=CC=C2)[N+]([O-])=O~   12.921
15453 CC(=O)NC1=C2C=CC=CC2=C(C=C1C)[N+]([O-])=O~   11.582
15454 OC1=C(NC(=O)NC2=C(O)C=CC=C2)C=CC=C1~   17.921
15455 CCOC(=O)C(=O)CC1=NC2=C(C=CC=C2)N=C1~   11.402
15456 OC(=O)[CH]1[CH]2O[CH](C=C2)[CH]1C(=O)NC3=CC=CC=N3~   19.328
15457 CC1=CC(=C(NS(=O)(=O)C2=CC=CC=C2)C=C1)[N+]([O-])=O~    7.654
15459 NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(O)(=O)=O~   18.695
15460 NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC=C2)C(O)=O~   14.780
15461 NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(O)=O~   14.780
15463 CC1=CC=C(C=C1NS(=O)(=O)C2=CC=CC=C2)[N+]([O-])=O~    8.996
15464 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)[N+]([O-])=O~    8.996
15465 COC1=CC(=C(NS(=O)(=O)C2=CC=CC=C2)C=C1)[N+]([O-])=O~    8.924
15468 OC(=O)CNC(=O)C1=CC=C(NC(=O)C=CC(O)=O)C=C1~   20.491
15471 S=C(NC1=CC=CC=C1)NC2=CC=CC=C2~    7.318
15472 CC1=C(CC#N)SC(=N1)CC2=CC=CC=C2~    9.764
15473 NC(=S)N(C1=CC=CC=C1)C2=CC=CC=C2~    6.348
15474 CC1=CC=C(C=C1)N2N=CC3=C(O)N=C(C)N=C23~   16.046
15476 COC1=C2C=NN(C3=CC=CC=C3)C2=NC(=N1)C~   12.375
15477 COC1=C2N(CC3=CC=CC=C3)C=NC2=NC=N1~    9.733
15478 COC1=C2N=CN(CC3=CC=CC=C3)C2=NC=N1~    9.733
15480 O=C(NNC(=S)NC1=CC=CC=C1)C2=CC=NC=C2~   15.514
15482 CSC1=NC2=C(N=C(SC)N2C3=CC=CC=C3)C(=N1)O~   17.606
15483 CSC1=NC2=C(N=C(O)N=C2SC)N1C3=CC=CC=C3~   17.606
15484 COC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)OC~   12.684
15485 O=C(NNC(=O)C1=CC=NC=C1)NC2=CC=CC=C2~   18.151
15486 CN1C(=O)N(C)C2=C(N=C(N2)C3=CC=CC=C3)C1=O~   12.889
15487 COC1=CC=C(C=C1)C=NNC(=O)C2=CN=CC=N2~   13.815
15489 [O-][N+](=O)C1=CC=C(NN=CCC2=CC=CC=C2)N=C1~   11.550
15490 CC(=NNC1=CC=C(C=N1)[N+]([O-])=O)C2=CC=CC=C2~   11.550
15492 COC1=CC=C(C=C1)C=NNC2=CC=C(C=N2)[N+]([O-])=O~   12.900
15494 COC1=CC=CC(=C1O)C=NNC2=CC=C(C=N2)[N+]([O-])=O~   16.883
15495 [O-][N+](=O)C1=CC=CC(=C1)NCNC2=CC(=CC=C2)[N+]([O-])=O~   11.932
15496 NS(=O)(=O)C1=CC=C(C=C1)N=NNC2=CC=C(C=C2)C(O)=O~   16.014
15497 NC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC(=CC=C2)[N+]([O-])=O~   12.896
15498 NC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C=CC=C2)[N+]([O-])=O~   12.896
15500 [O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)NCNS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O~   13.240
15501 CCC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)S~   11.407
15502 CSC1=C2C=NN(C3=CC=CC=C3)C2=NC(=N1)C~   12.052
15503 S=C(NNC1=CC=CC=C1)N=NC2=CC=CC=C2~    8.551
15504 C(CC1=CC=CC=C1)SC2=C3N=CNC3=NC=N2~   10.618
15505 C[CH](SC1=C2N=CNC2=NC=N1)C3=CC=CC=C3~   10.618
15506 CN1C=NC2=C1N=CN=C2SCC3=CC=CC=C3~    9.411
15509 CSC1=NC2=C(N=C(SC)N2C3=CC=CC=C3)C(=N1)S~   13.046
15511 COC1=C(C=CC=C1)C2=CC=CC=C2~    4.611
15512 COC1=CC=C(C=C1)C2=CC=CC=C2~    4.611
15513 OC1=CC=C(CC2=CC=CC=C2)C=C1~    7.302
15514 O=CC=CC=CC=CC1=CC=CC=C1~    5.593
15515 CCC(=O)C1=CC2=C(C=CC=C2)C=C1~    5.896
15516 OC(C1=CC=CC=C1)C2=CC=CC=C2~    7.754
15517 OCC1=CC=C(SC2=CC=CC=C2)C=C1~    8.896
15518 C1O[CH]1COC2=C3C=CC=CC3=CC=C2~    7.171
15520 COC1=CC=C(OC2=CC=CC=C2)C=C1~    5.157
15521 OC(=O)CCC1=C2C=CC=CC2=CC=C1~    8.242
15523 CCC(=O)C1=CC=C2C=CC=CC2=C1O~    6.777
15527 O=S1(=O)CCCC2=C1C=CC3=CC=CC=C23~    7.104
15528 CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2~    6.561
15529 CC1=CC=CC(=C1)S(=O)(=O)C2=CC=CC=C2~    6.561
15530 O=S(=O)(CC1=CC=CC=C1)C2=CC=CC=C2~    6.996
15532 OC(=O)[CH](CC1=CC=CS1)C2=CC=CC=C2~    8.590
15533 CC1=CC=C(C=C1)S(=O)(=O)SC2=CC=CC=C2~    6.372
15534 O=C(CC1=CC=CC=C1)OCC2=CC=CO2~    5.943
15536 C=CCC1=CC2=C(OCO2)C=C1OCC#C~    6.932
15537 O[CH](C1=CC=C(O)C=C1)C2=C(O)C=CC=C2~   15.721
15538 OC(=O)CC1=C(CCC1=O)C2=CC=CC=C2~   11.026
15541 CC1=CC=C(OS(=O)(=O)C2=CC=CC=C2)C=C1~    6.483
15543 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2~    6.483
15544 CC(=O)C1=C(O)C=CC(=C1)C=C2CCOC2=O~    9.166
15545 CC(=O)OC1=CC=C(C=C1)C=C2CCOC2=O~    7.463
15547 CC(=O)C(=CC1=CC2=C(OCO2)C=C1)C(C)=O~   12.240
15548 O=S(=O)(CS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2~   10.676
15549 CCOC(=O)C1=CC2=CC=CC(=C2OC1=O)OC~    9.087
15550 CCOC(=O)[CH]1[CH](OC(=O)C1=O)C2=CC=CC=C2~   10.105
15551 COC1=CC=C(C=CC=C(C(O)=O)C(O)=O)C=C1~   14.345
15553 CC(=O)[CH]1[C](C)(O)[CH]2C(=O)OC(=O)C2=C3CC(=O)O[C]13O~   16.754
15554 CC(=O)OC1=CC(=CC(=C1OC(C)=O)OC(C)=O)C(O)=O~   12.724
15555 C1CSC2=C(C1)C3=C(C=CC=C3)C=C2~    5.004
15556 CN(C1=CC=CC=C1)C2=CC=CC=C2~    4.668
15560 NC1=CC=CC(=C1)CC2=CC=CC=C2~    6.770
15562 C(CC1=CC=CC=N1)C2=CC=CC=C2~    6.079
15564 NC1=CC=C(CC2=CC=CC=C2)C=C1~    6.770
15565 NC(C1=CC=CC=C1)C2=CC=CC=C2~    7.306
15566 O=C(C[N+]1=CC=CC=C1)C2=CC=CC=C2~   13.699
15567 CN(C(C)=O)C1=C2C=CC=CC2=CC=C1~    7.910
15568 OC1=C(CNC2=CC=CC=C2)C=CC=C1~   10.455
15569 OC1=CC=C(NCC2=CC=CC=C2)C=C1~   10.455
15570 O[CH](CC1=CC=CC=N1)C2=CC=CC=C2~   10.516
15571 CCC(=O)NC1=CC2=C(C=CC=C2)C=C1~    9.097
15572 O[CH]1CNC2=C(C1)C=CC3=C2C=CC=C3~   11.016
15573 OC1=CC=CC(=C1)CCC2=CC=CC=N2~   10.061
15574 C[N+]1=CC=CC(=C1)C(=O)C2=CC=CC=C2~   13.266
15575 C[C](O)(C1=CC=CC=C1)C2=CC=CC=N2~   10.516
15576 C[C](O)(C1=CC=CC=C1)C2=CC=NC=C2~   10.516
15577 COC1=CC=C(NC2=CC=CC=C2)C=C1~    7.207
15579 OC1=CC=C(CNC2=CC=CC=C2)C=C1~   10.455
15581 O=C1C2=C(CCCC2)NC3=C1C=CC=C3~    8.274
15582 NC1=C(OCC2=CC=CC=C2)C=CC=C1~    8.041
15585 N[CH](CC1=C2C=CC=CC2=CC=C1)C(O)=O~   10.928
15586 OC(=O)[CH]1CC2=C(CN1)CC3=C2C=CC=C3~   10.240
15587 CCNC(=O)OC1=CC2=C(C=CC=C2)C=C1~    8.381
15588 CN(C)C(=O)OC1=CC2=C(C=CC=C2)C=C1~    8.162
15589 COC1=CC2=C(C=C1)C=C(NC(C)=O)C=C2~   10.449
15591 OC1=C(C=CC=C1)C(=O)C[N+]2=CC=CC=C2~   14.582
15593 CCNC(=O)C1=CC2=C(C=CC=C2)C=C1O~   10.084
15596 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N)C=CC=C2~   10.012
15597 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2~    6.590
15598 O=S(=O)(NCC1=CC=CC=C1)C2=CC=CC=C2~    7.126
15599 CC1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C=C1~    6.590
15600 CC1=C(NS(=O)(=O)C2=CC=CC=C2)C=CC=C1~    6.590
15601 CCN1C(=S)SC(=CC2=CC=C(OC)C=C2)C1=O~    9.450
15603 CCOC(=O)C(=CO)C1=CNC2=C1C=CC=C2~   12.582
15604 CCOC1=CC(=C2C=CC=CC2=N1)C(=O)OC~    8.498
15605 CCOC(=O)C1=CC2=C(O)C=C(C)N=C2C=C1~   12.170
15607 CCOC(=O)NC1=CC2=C(C=CC=C2)C=C1O~   12.532
15613 COC(=O)CC1=C(NC(C)=O)SC2=C1C=CC=C2~   12.066
15615 COC(=O)[CH]1CN(CC2=CC=CC=C2)C(=O)C1=O~   13.740
15616 CCOC(=O)[CH]1CN(C(=O)C1=O)C2=CC=CC=C2~   12.154
15620 CC(C)[CH](N1C(=O)C2=CC=CC=C2C1=O)C(O)=O~   11.108
15625 O=C1CC[CH](NC(=O)OCC2=CC=CC=C2)C(=O)O1~   10.401
15626 CC(=O)OC(OC(C)=O)C1=C(OC(C)=O)C=CC(=C1)[N+]([O-])=O~   11.796
15627 C(CC1=CC=NC=C1)SC2=CC=CC=C2~    7.658
15628 NC1=C(SCC2=CC=CC=C2)C=CC=C1~    8.349
15629 N=C(NC1=CC=CC=C1)NC2=CC=CC=C2~   11.148
15630 NC1=CC2=C(C=C1)C3=C(C2)C=C(N)C(=C3)N~   14.131
15631 NC1=CC=C(CN=C2C=CC(=N)C=C2)C=C1~    8.234
15632 NC1=CC=C(NC(=O)C2=CC(=CC=C2)N)C=C1~   15.815
15633 O=C(NNC1=CC=CC=C1)NC2=CC=CC=C2~   12.333
15636 NC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)N~   15.815
15638 NC(=O)NC1=CC=C(NC2=CC=CC=C2)C=C1~   13.406
15639 NC1=CC=C(NC(=O)C2=CC=C(N)C=C2)C=C1~   15.815
15640 O=C(NNCC1=CC=CC=C1)C2=CC=CC=N2~   14.668
15641 NC1=C(NNC(=O)C2=CC=CC=C2)C=CC=C1~   14.745
15642 NNC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2~   11.364
15643 CC1=NCCN1CN2C(=O)C3=C(C=CC=C3)C2=O~    9.866
15644 NC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=CC=C2~   10.492
15645 NC1=CC=C(C=C1)S(=O)(=O)NC(=N)C2=CC=CC=C2~   12.101
15646 CCOC(=O)NC(=O)C(=CNC1=CC=CC=C1)C#N~   13.425
15648 NC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(O)C=CC=C2~   14.475
15649 NC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(O)C=C2~   14.475
15650 NC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(N)C=C2~   17.483
15652 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=CO2~   12.983
15653 CC1=CC=C(C=C1NS(=O)(=O)C2=CC=C(N)C=C2)[N+]([O-])=O~   12.445
15654 COC1=C(N)C=CC(=C1)N=NC2=CC=CC(=C2)S(O)(=O)=O~   15.842
15655 OC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2~   20.728
15656 OC(=O)[CH](CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2)S(O)(=O)=O~   27.495
15657 S=C(NNC1=CC=CC=C1)NC2=CC=CC=C2~    9.697
15658 CCNC1=C2C=NN(C3=CC=CC=C3)C2=NC=N1~   15.136
15660 CN1N=CC2=C1N=CN=C2NCC3=CC=CC=C3~   12.583
15661 CC1=NNC2=C(NCC3=CC=CC=C3)N=CN=C12~   13.870
15662 CN1N=CC2=C(NC3=CC(=CC=C3)C)N=CN=C12~   12.048
15663 C(CC1=CC=CC=C1)NC2=C3C=NNC3=NC=N2~   13.790
15664 CN1C=NC2=C1N=CN=C2NCC3=CC=CC=C3~   12.577
15667 CC1=C(CNC2=C3C=NNC3=NC=N2)C=CC=C1~   13.870
15669 CC1=CC(=CC=C1)CNC2=C3C=NNC3=NC=N2~   13.870
15672 COC1=CC=C(CNC2=C3C=NNC3=NC=N2)C=C1~   15.141
15674 CC(=NNC1=CC=C(C=N1)[N+]([O-])=O)C2=CC=C(N)C=C2~   15.002
15675 CC1=CC=C(NC(=O)NNC2=CC=C(C=N2)[N+]([O-])=O)C=C1~   17.578
15676 COC1=C(NC(=O)NNC2=CC=C(C=N2)[N+]([O-])=O)C=CC=C1~   18.848
15677 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC=N2)C(N)=O~   19.026
15678 CNC1=C2N=CNC2=NC(=N1)SCC3=CC=CC=C3~   13.851
15680 CC1=NC2=C(N1)N=C(N)N=C2SCC3=CC=CC=C3~   10.599
15682 CC1=CC=C(CSC2=NC(=NC3=C2N=CN3)N)C=C1~   10.599
15683 CC1=C(C=CC=C1)C2=NC3=C(N)N=C(N)N=C3N=C2N~   17.688
15684 CC1=CC=C(C=C1)C2=NC3=C(N)N=C(N)N=C3N=C2N~   17.688
15685 CC1=CC(=CC=C1)C2=NC3=C(N)N=C(N)N=C3N=C2N~   17.688
15687 NC1=CC=C(CC2=CC=C(N)C=C2)C=C1~   10.223
15693 NC1=CC=C(CCC2=NC=CC=C2)C=C1~    9.530
15695 C[CH](NC1=CC=CC=C1)C2=CC=CC=N2~    9.232
15696 C(CC1=CC=CC=N1)NC2=CC=CC=C2~    9.232
15698 NC1=C(C=CC=C1)[CH](O)CC2=CC=NC=C2~   13.967
15699 C[CH](NC(=O)C1=CC=CC=C1)C2=CC=CN2~   12.057
15701 COC1=CC=C(NCC2=CC=CC=N2)C=C1~   10.583
15702 NC(=O)C1=C[N+](=CC=C1)CC2=CC=CC=C2~   17.302
15705 NC(=O)C1=CN(CC2=CC=CC=C2)C=CC1~   12.152
15706 CC1=C(N)C=CC(=C1)NC2=CC=C(O)C=C2~   13.371
15707 NC1=CC(=C(OCC2=CC=CC=C2)C=C1)N~   11.493
15708 C[CH]1N[CH](CC2=C1NC3=CC=CC=C23)C(O)=O~   13.674
15712 OC(=O)C1=CC=C(NC2(CCCC2)C#N)C=C1~   13.321
15715 NCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2~   10.578
15716 CC1=C(C=C(N)C=C1)S(=O)(=O)NC2=CC=CC=C2~   10.041
15717 NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2~   10.578
15718 O=C1N(CN2CCOCC2)C(=O)C3=C1C=CC=C3~   10.618
15719 CCOC(=O)[CH](NC(=O)CC1=CC=CC=C1)C#N~   13.285
15720 COC1=CC(=C2N=CC=CC2=C1)NCCC(O)=O~   15.506
15721 ON=C(CCCC#N)C(=O)OCC1=CC=CC=C1~   10.783
15722 CCOC(=O)CC1=NC2=CC=C(C)C=C2N=C1O~   12.943
15723 COC1=C(NC(=O)NCC2=CC=CO2)C=CC=C1~   11.676
15724 NC(=O)CNC1=CC=C(C=C1)C=C2CCOC2=O~   14.172
15725 CCOC(=O)[CH](O)CC1=NC2=C(C=CC=C2)N=C1~    9.686
15726 CC(=O)N[CH](CC1=CNC2=C1C=CC=C2)C(O)=O~   16.192
15728 CC(=O)O[CH](CCCC1=C(C=CC=C1)[N+]([O-])=O)C#N~    6.446
15730 NC(=O)NC(=O)C=CC(=O)OCCC1=CC=CC=C1~   14.040
15731 COC1=C(NC2=C(C=C(N)C=C2)S(O)(=O)=O)C=CC=C1~   16.987
15732 CC1=CC=C(NNC(=O)C(=O)O[CH]2[CH](O)COC2=O)C=C1~   18.839
15733 C[C](CCC(O)=O)(NC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(O)=O~   19.305
15734 CCOC(=O)C(C(=O)OCC)C1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~   12.034
15735 CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=N2~    9.514
15736 CC1=CC(=C(N)C=C1N)N=NC2=CC=CC=C2~   11.693
15737 NC1=CC2=C(C=C1N)C3=C(C2)C=C(N)C(=C3)N~   17.583
15738 C[N+]1=C2C=C(N)C=C(N)C2=NC3=CC=CC=C13~   19.130
15739 O=C(NNC1=CC=CC=C1)NNC2=CC=CC=C2~   14.712
15740 NC1=CC=C(NC(=O)NC2=CC=C(N)C=C2)C=C1~   16.857
15741 CCOC(=O)C1=C(C=NNC(N)=S)C2=C(N1)C=CC=C2~   13.319
15742 CC1=CC(=C(N)C=C1N)N=NC2=CC=C(C=C2)S(O)(=O)=O~   18.024
15743 CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=C(O)N=C(O)N=C2~   18.106
15744 NC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2~   19.218
15745 S=C(NNC1=CC=CC=C1)NNC2=CC=CC=C2~   12.076
15746 CC1=CC=C(NC(=S)NC2=CC=C(C)C=N2)N=C1~   13.000
15747 CC1=CC(=NC=C1)NC(=S)NC2=CC(=CC=N2)C~   13.000
15748 CC1=NC(=CC=C1)NC(=S)NC2=NC(=CC=C2)C~   13.000
15749 CC1=C(NC(=S)NC2=C(C)C=CC=N2)N=CC=C1~   13.000
15750 S=C(NCCC1=CC=CC=C1)NC2=NC=CC=N2~    7.405
15751 NC1=CC=C(NC(=S)NC2=CC=C(N)C=C2)C=C1~   14.222
15752 O=C(NNCNNC(=O)C1=CC=NC=C1)C2=CC=NC=C2~   20.318
15753 CCOC(=O)C1=CC=C(C=C1)N=NC2=C(N)N=C(N)N=C2O~   17.503
15754 CCN1N=NC2=C1N=C(N)N=C2SCC3=CC=CC=C3~    9.588
15757 CC1(C)CC(=CC1=O)C2=CC=CC=C2~    5.848
15758 CC1=CC(=O)[CH](CC1)C2=CC=CC=C2~    5.519
15761 CC1=CC(=O)C[CH](C1)C2=CC=CC=C2~    5.519
15762 CC1=CC=C(C=C1)C2=CC(=O)CCC2~    5.928
15763 CC(=C)C(=O)OCC=CC1=CC=CC=C1~    5.070
15765 CC1=C(C)C(=C(C#CC(O)=O)C(=C1)C)C~    7.955
15766 COC1=C(C=CC=C1)C=CC(=O)OCC=C~    6.492
15769 CCOC1=CC(=O)O[CH](C1)C2=CC=CC=C2~    6.197
15770 COC1=CC(=O)O[C](C)(C1)C2=CC=CC=C2~    6.197
15771 O[CH](CCC1=CC=CC=C1)CC#CC(O)=O~   12.154
15772 COC1=C2C=CC=CC2=C(C=C1)[CH](O)CO~   10.215
15773 CC1=CC(=C(C(=C1)C)C(=O)C=CC(O)=O)C~   10.488
15774 COC1=CC=C(C=C1)C=C(C(C)=O)C(C)=O~   10.533
15775 CC(=O)OC1=CC=C(C=C1)C=C(C)C(C)=O~    7.656
15776 OS(=O)(=O)CCCC1=C2C=CC=CC2=CC=C1~    9.757
15777 CC(C)C1=C2C=CC=CC2=CC=C1S(O)(=O)=O~    9.321
15778 CC(=O)O[CH](CC=C)C1=CC2=C(OCO2)C=C1~    7.542
15779 COC1=CC=C2C(=C(CC2=C1OC)C(O)=O)C~   10.390
15782 COC(=O)[CH]1[CH](C)[CH]1C2=CC3=C(OCO3)C=C2~    7.770
15783 COC1=CC(=O)O[CH](C1)C2=CC=C(OC)C=C2~    7.548
15784 COC(=O)[CH]1CC(=O)C2=C(C1)C=CC(=C2)OC~    9.050
15785 OC(=O)CCC(=O)CCC(=O)C1=CC=CC=C1~   13.063
15786 CCOC(=O)C=CC1=CC=C(OC(C)=O)C=C1~    7.180
15787 COC(=O)C=CC(=O)C1=C(O)C(=CC(=C1)C)C~    8.907
15788 C[CH]1OC=C2C(=C(C(O)=O)C(=O)C(=C2[CH]1C)C)O~   14.678
15790 COC(=O)C=CC1=CC(=C(OC(C)=O)C=C1)OC~    8.530
15792 CC(=O)OC(OC(C)=O)C1=C(OC(C)=O)C=CC=C1~    9.393
15793 CCOC(=O)COC(=O)C1=C(C=CC=C1)C(=O)OC~    8.301
15794 COC1=CC=C2[CH]([CH](CC2=C1OC)C(O)=O)C(O)=O~   15.129
15797 OC[CH]1[CH](O)C2=C(C[CH]1C(O)=O)C=C3OCOC3=C2~   16.107
15798 CC(=O)OC(OC(C)=O)C1=CC=C(OC(C)=O)C=C1~    9.393
15799 CC(=O)OC(OC(C)=O)C1=CC=CC(=C1)OC(C)=O~    9.393
15802 N#CCC1(CCCC1)C2=CC=CC=C2~    5.349
15803 C(C[N+]1=CC=CC=C1)C2=CC=CC=C2~   10.793
15804 CC1=CC=C2C=CC=CC2=[N+]1CC=C~   10.672
15805 CN1C2=C(CCCC2)C3=C1C=CC=C3~    4.747
15808 CCOC1=CC2=C(C)C=C(C)N=C2C=C1~    7.182
15809 CN(C)CC1=C2C=CC=CC2=CC=C1O~   10.524
15810 CN(CCO)C1=C2C=CC=CC2=CC=C1~    9.391
15811 O[CH](C[N+]1=CC=CC=C1)C2=CC=CC=C2~   15.230
15812 OC[CH](C1=CC=CC=C1)[N+]2=CC=CC=C2~   15.230
15813 CN[CH](CC1=CC=CC=C1)C2=CC=CO2~    6.842
15816 CC1=[N+](CC(=O)C2=CC=CC=C2)C(=CS1)C~   13.876
15817 C[CH]([CH]1CC(=O)N(C)C1=O)C2=CC=CC=C2~    8.102
15818 O=C1CCCCCN1C(=O)C2=CC=CC=C2~    7.588
15819 CN(C)C1=CC=C(C=C1)C=C2CCOC2=O~    7.342
15820 CCOC(=O)CCC1=CNC2=C1C=CC=C2~    8.387
15821 [O-][N+](=O)[CH]1[CH]2CC[CH](C2)[CH]1C3=CC=CC=C3~    5.441
15822 CNC(=O)OC1=C(C=CC=C1)[CH]2CCC=C2~    7.370
15824 CC1=CC2=C(C(=C1)C)C(=C(C)N2)CC(O)=O~   11.010
15826 OC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2~   13.087
15828 OC(=O)C1(CCCC1)NC(=O)C2=CC=CC=C2~   12.005
15829 CCOC1=CC2=C(NC(=C2CC(O)=O)C)C=C1~   12.201
15830 CC(C)(C)C(=O)C=CC1=CC=C(C=C1)[N+]([O-])=O~    7.967
15832 OC(=O)[CH](CSCC1=CC=CC=C1)NC(=O)C=C~   14.658
15833 CC1(COC(OC1)C=CC2=CC=CC=C2)[N+]([O-])=O~    8.879
15835 CC(=O)N[CH](CCC(=O)C1=CC=CC=C1)C(O)=O~   15.068
15836 O=C(OC1=CC2=C(OCO2)C=C1)N3CCCCC3~   10.073
15837 OC(=O)[CH]1CCCN1C(=O)OCC2=CC=CC=C2~   11.750
15838 OC(=O)C1=CC=C(NC2(CCCC2)C(O)=O)C=C1~   13.767
15839 CCOC(=O)C(=O)N(CCC(O)=O)C1=CC=CC=C1~   13.633
15840 COC(=O)[CH](CCC1=C(C=CC=C1)[N+]([O-])=O)C(C)=O~   10.179
15841 COC(=O)[CH](CCC1=CC=C(C=C1)[N+]([O-])=O)C(C)=O~   10.179
15842 CCOC(=O)O[CH](C#N)C1=C(OC)C(=CC=C1)OC~    6.195
15843 COC(=O)CN(CC(=O)OC)C(=O)C1=CC=CC=C1~   10.618
15844 COC(=O)CN(C(C)=O)C1=C(C=CC=C1)C(=O)OC~   10.412
15845 OC(=O)CSCC[CH](NC(=O)C1=CC=CC=C1)C(O)=O~   18.996
15847 OC(=O)CC[CH](NC(=O)OCC1=CC=CC=C1)C(O)=O~   16.866
15848 COC(=O)C(CCC1=C(C=CC=C1)[N+]([O-])=O)C(=O)OC~    9.631
15849 COC(=O)C(CCC1=CC=C(C=C1)[N+]([O-])=O)C(=O)OC~    9.631
15850 C1CCN(CC1)C2=NC=NC3=CC=CC=C23~    8.331
15851 CC1=C(N=C2C=CC=CC2=N1)N3CCCC3~    8.411
15852 CN(C)NC(=O)NC1=CC2=C(C=CC=C2)C=C1~   12.402
15853 CN(C)NC(=O)NC1=C2C=CC=CC2=CC=C1~   12.402
15854 NNC(=O)C1=C[N+](=CC=C1)CC2=CC=CC=C2~   19.682
15855 NNC(=O)C1=CN(CC2=CC=CC=C2)C=CC1~   14.530
15856 CC1=C(N=C2C=CC=CC2=N1)N3CCOCC3~   10.466
15858 CC1=CC(C)(C)NC(=S)N1C2=CC=C(C=C2)[N+]([O-])=O~    7.410
15859 CC1=CC=C(C=C1)S(=O)(=O)N(CCC#N)CCC#N~   12.167
15861 [O-][N+](=O)C1=CC(=C(C=C1)C#N)OCCN2CCOCC2~   13.261
15862 CCN(C1=C(O)N=C(O)N=C1)S(=O)(=O)C2=CC=C(C)C=C2~   16.387
15863 CNC1=NC(=NC=C1C)SCC2=CC=CC=C2~    9.640
15864 CC1=CC=C(NC(=N)NC2=CC=C(C)C=N2)N=C1~   16.830
15866 CC1=C(NC(=N)NC2=C(C)C=CC=N2)N=CC=C1~   16.830
15867 OCCNC(NC1=CC=CC=N1)=NC2=CC=CC=N2~   20.886
15868 CN1N(C(=O)C(=C1C)C=NNC(N)=S)C2=CC=CC=C2~   14.223
15869 CN1[CH]2SC(=NN2C(=O)N(C)C1=O)NCC3=CC=CC=C3~   13.398
15870 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C)C(=N2)C~   12.595
15871 N#C[CH](N1CCCCC1)C2=CC=CC=C2~    8.900
15872 C1CCN(C1)CC2=CNC3=C2C=CC=C3~    9.424
15873 CN1CCC(CC1)(C#N)C2=CC=CC=C2~    8.900
15874 CC1=CC=C(C)N1CCC2=CC=CC=N2~    7.480
15877 C1CN(CCO1)CC2=CNC3=C2C=CC=C3~   11.479
15878 CCNC(=O)C1=C[N+](=C2C=CC=CC2=C1)C~   16.754
15879 ON=CC1=CC2=C3N(CCCC3=C1)CCC2~    8.625
15880 CN(C)CC1=C2C=CC=CN2C(=C1)C(C)=O~   13.264
15883 O=C(NC1=CC=CC=C1)ON=C2CCCCC2~    7.186
15885 COC1=CC2=C(C=C1OC)N=C(C)C=C(C)N2~    8.202
15886 CCOC1=CC=C(C=C1)N2N=C(C)CCC2=O~    8.027
15889 COC1=CC(=C2N=CC=CC2=C1)NC[CH](O)CO~   16.128
15890 [O-][N+](=O)C1=CC=C(C=C1)C(=O)CCN2CCCC2~   10.703
15891 [O-][N+](=O)C1=CC=C(C=C1)C(=O)CN2CCCCC2~    9.403
15893 NC(=O)C1(CCCC1)NC2=CC=C(C=C2)C(O)=O~   15.457
15894 NC(=O)CNC1=CC=C(C[CH]2CCOC2=O)C=C1~   13.587
15896 CC1=CC(C)(C)NC(=S)N1C2=CC=C(C=C2)S(O)(=O)=O~   11.336
15897 CCOC(=O)C(=NNC1=CC=CC=C1)C(=O)OCC~    8.996
15898 OC(=O)CCCCC(=O)NN=CC1=CC=C(O)C=C1~   17.360
15900 CC1(C)CC(C)(C)C2=C(C=C(C=C12)[N+]([O-])=O)[N+]([O-])=O~    6.730
15901 C[CH]1CCC(C)(C)C2=CC(=CC(=C12)[N+]([O-])=O)[N+]([O-])=O~    6.730
15904 [O-][N+](=O)C1=CC=C(C=C1)C(=O)OCCN2CCOCC2~   12.209
15906 CC(C)CCC(=O)NC1=CC(=CC(=C1)[N+]([O-])=O)C(O)=O~   14.818
15909 CC1=CC(C)(C)NC(=S)N1C2=CC=CC=C2~    5.006
15912 CC1=CC(=NC(=N1)N)NC2=CC(=C(C)C=C2)C~    9.018
15913 CC1=NC(=NC(=C1)N(CCO)C2=CC=CC=C2)N~   12.106
15914 CCOC1=CC(=CC=C1)NC2=CC(=NC(=N2)N)C~   10.209
15915 CCOC1=C(NC2=CC(=NC(=N2)N)C)C=CC=C1~   10.209
15916 CC1=NC(=NC(=C1)NC2=CC=C(CCO)C=C2)N~   13.375
15918 CC1=CC=C(NC(=O)N2CC2)C=C1NC(=O)N3CC3~   19.625
15919 C[C]12CCC[C](CC#N)(C1)N(C(N)=O)C(=O)[CH]2C#N~   16.240
15920 CC1=NC(=NC(=C1C)C)NS(=O)(=O)C2=CC=C(N)C=C2~    9.672
15921 CCCC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(N)C=C2~    9.511
15922 CC1=NC(=NC=C1CCO)NS(=O)(=O)C2=CC=C(N)C=C2~   14.029
15923 CC1(C)O[CH]2[CH](CO)O[CH]([CH]2O1)N3C=NC4=C(S)N=CN=C34~   18.447
15924 OC[CH]1O[CH]([CH](O)[CH]1O)N2C=NC3=C(SCC=C)N=CN=C23~   18.329
15925 CC1(C)O[CH]2[CH](CO)O[CH]([CH]2O1)N3C=NC4=C(O)N=CN=C34~   23.007
15926 CC(=O)CSC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=NC=N1~   21.620
15928 CCOC(=O)CCC(C)=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~   10.893
15929 [O-][N+](=O)C1=CC=C(O1)C=NN2C[CH](CN3CCOCC3)OC2=O~   15.833
15931 C[N+](C)(C)C1=CC2=C(NC3=CC=CC=C3S2)N=N1~   21.740
15932 CCNC1=CC(=NC(=N1)N)SCC2=CC=CC=C2~    9.462
15934 NC1=NC(=C(N=NC2=CC=CC=C2)C(=N1)O)NCCCO~   19.284
15935 CC(C)CN1C=NC2=C1N=C(N)N=C2SC3=C(N=CN3C)[N+]([O-])=O~   12.783
15936 CCCCN1C=NC2=C1N=C(N)N=C2SC3=C(N=CN3C)[N+]([O-])=O~   12.783
15937 O=C(C1CCCCC1)C2=CC=CC=C2~    4.750
15939 CC(C)(C)C(=O)C=CC1=CC=CC=C1~    5.562
15940 C1CC[C]2(CC3=CC=CC=C3)O[CH]2C1~    4.754
15941 CC(C)CC(=O)C=CC1=CC=CC=C1~    5.562
15942 CC1=CC(=C2CCCC(=O)C2=C1C)C~    5.070
15943 O[CH]([CH]1CCC=CC1)C2=CC=CC=C2~    6.336
15945 O=C(CC1=CC=CC=C1)OC2CCCC2~    4.712
15946 CCCCC(=CC1=CC=CC=C1)C(O)=O~    7.324
15947 CC1=C(C=CC=C1)C(=O)OC2CCCC2~    4.280
15948 CC1=CC=CC(=C1)C(=O)OC2CCCC2~    4.280
15949 CC(C)C1=CC=C(C=C1)C(=O)OCC=C~    4.052
15950 CCCC(=O)OCC=CC1=CC=CC=C1~    4.740
15952 CCOC(=O)C(=C(C)C)C1=CC=CC=C1~    4.870
15953 CCOC(=O)C=C(C)C1=CC=C(C)C=C1~    5.022
15954 CC[CH](C(=O)OCC=C)C1=CC=CC=C1~    4.484
15955 C1CCC2(C1)OC[CH](O2)C3=CC=CC=C3~    5.607
15956 CC(C)C(=O)OCC=CC1=CC=CC=C1~    4.740
15958 CCOCCOC(=O)C=CC1=CC=CC=C1~    7.069
15959 COC1=CC=C(C=C1)C(=O)OC2CCCC2~    5.551
15960 COC1=CC=C2[CH]3COC[CH]3CC2=C1OC~    7.936
15961 OC1CCC(CC1)C2=CC=C(C=C2)C(O)=O~   11.100
15962 O[CH]1CCCC[CH]1C2=CC=C(C=C2)C(O)=O~   11.100
15963 OC(CCC1=CC=CO1)CCC2=CC=CO2~    7.265
15964 CC1=CC=CC(=C1)C(=O)OC[CH]2CCCO2~    7.235
15965 CCOC(=O)[C]1(C)O[C]1(C)C2=CC=CC=C2~    6.417
15966 COC1=CC=C(C=CC(=O)OC(C)C)C=C1~    6.365
15967 CCCOC1=CC2=C(OCO2)C=C1CC=C~    6.024
15968 CC(C)OC1=C(CC=C)C=C2OCOC2=C1~    6.024
15970 CC1=C(C=CC=C1)C(=O)OC[CH]2CCCO2~    7.235
15972 CCC(=O)OC1=CC=C(CCC(C)=O)C=C1~    7.072
15973 OC1CCC(CC1)OC(=O)C2=CC=CC=C2~    8.636
15974 CCOC(=O)[CH](CC(C)=O)C1=CC=CC=C1~    7.775
15976 CCOC(=O)[CH]1C[CH]1OCC2=CC=CC=C2~    6.767
15977 OC(=O)CCCCC(=O)SCC1=CC=CC=C1~   10.057
15979 CC(C)[CH](OC(C)=O)C1=CC2=C(OCO2)C=C1~    7.415
15981 COC(=O)CC1=CC(=CC=C1C)COC(C)=O~    7.387
15982 CCOC(=O)C(C(=O)OCC)C1=CC=CC=C1~    7.226
15983 OC(=O)C[CH](CCCC1=CC=CC=C1)C(O)=O~   11.991
15986 CCOC(=O)C1=CC(=C(O)C(=C1)CC=C)OC~    9.386
15987 CC(=O)OC[CH]1CO[CH](CC2=CC=CC=C2)O1~    8.122
15988 CC(=O)OC[CH]1CO[CH](O1)C2=CC=C(C)C=C2~    8.202
15992 C1CC[CH](OC1)OCC2=CC=C3OCOC3=C2~    9.210
15993 CC(=O)OCC[CH](OC(C)=O)C1=CC=CC=C1~    7.226
15994 C[CH]1CC2=C(C=C(OC[CH](O)CO)C=C2)C1=O~   12.054
15995 CCC[C](CC(O)=O)(C(O)=O)C1=CC=CC=C1~   11.991
15996 CC1(C)COC(OC1)C2=CC3=C(OCO3)C=C2~    8.310
15997 COC1=C(OC(C)=O)C=CC(=C1)CCC(C)=O~    8.423
15998 CCCC1=CC2=C(OCO2)C=C1COC(C)=O~    7.495
15999 CC(C)CC(=O)OCC1=CC2=C(OCO2)C=C1~    7.415
16000 C[CH](C(OC(C)=O)OC(C)=O)C1=CC=CC=C1~    7.226
16001 COC1=C(OC)C=C(CC(=O)OCC=C)C=C1~    7.187
16002 CC(=O)OC(CCC1=CC=CC=C1)OC(C)=O~    7.226
16004 C[CH](OC(C)=O)C(=O)OCCOC1=CC=CC=C1~    7.648
16005 CCC(CCOC1=CC=CC=C1)(C(O)=O)C(O)=O~   13.262
16006 COC1=CC=C(C=C1)[CH]2OC[CH](COC(C)=O)O2~    9.472
16007 CC(=O)OC[CH](COC1=CC=CC=C1)OC(C)=O~    8.498
16009 CCOC[CH]1CO[CH](O1)C2=CC3=C(OCO3)C=C2~   10.365
16010 CCOC(=O)C1=C(C)OC(=C(C(=O)OCC)C1=O)C~   10.484
16011 COC1=C(O)C(=C(C=C1)C(=O)CCCC(O)=O)OC~   16.330
16012 CC(C)C1=CC=CC(=C1OCC(O)=O)OCC(O)=O~   12.991
16013 CC[N+]1=C2C=CC(=CC2=CC=C1C)C~   10.625
16015 C1CCC(CC1)N=CC2=CC=CC=C2~    3.148
16017 CCCC[N+]1=CC2=CC=CC=C2C=C1~   10.463
16018 CCN(CC)C(=O)C=CC1=CC=CC=C1~    8.650
16021 CN(C)CCC(=O)C=CC1=CC=CC=C1~    9.114
16022 CC1=CC2=C(C=C1C)C(C)(C)CC(=O)N2~    8.190
16023 CC(C)=CC(=O)NC1=CC(=C(C)C=C1)C~    8.012
16024 C[CH]1C[CH](C(=O)CN1C)C2=CC=CC=C2~    7.511
16025 O=C(CN1CCCCC1)C2=CC=CC=C2~    7.000
16028 CC1=CC=C(C=C1)C(=O)N2CCCCC2~    7.914
16029 CC1=C(C=CC=C1)C(=O)N2CCCCC2~    7.914
16030 C1CN(CCO1)CC=CC2=CC=CC=C2~    7.833
16031 O=C1CCCC[CH]1CCC2=CC=NC=C2~    8.021
16032 CC(=O)CCN1CCC2=C(C1)C=CC=C2~    8.893
16036 O=C(NC1=CC=CC=C1)SC2CCCCC2~    6.110
16037 CCC[CH]1SCC(=O)N1CC2=CC=CC=C2~    7.772
16040 CCCCN1C(=O)[CH]2[CH]3C[CH](C=C3)[CH]2C1=O~    7.038
16042 OC(=O)C1=CC(=CC=C1)CN2CCCCC2~   10.213
16044 O=C(OCC1=CC=CC=C1)N2CCCCC2~    7.799
16045 CC1=CC=CC(=C1)NC2(CCCC2)C(O)=O~    9.028
16046 CCC(=CC1=CC=C(C=C1)C(C)C)[N+]([O-])=O~    4.851
16047 NC1(CCCC1)C(=O)OCC2=CC=CC=C2~    7.400
16049 N[C]1(CCC[CH]1CC2=CC=CC=C2)C(O)=O~    9.783
16050 CC(C)C1=CC=C(CN2CCOC2=O)C=C1~    7.879
16051 COC1=C(OC)C=C(C=C1)C=NCC(C)=C~    5.550
16053 CC(C)OC(=O)N(CC=C)C1=CC=CC=C1~    5.983
16054 COC(=O)CCC1=CC=C(CN2CC2)C=C1~    8.344
16055 OC(=O)CCCCCNC(=O)C1=CC=CC=C1~   12.951
16056 O=C(CCN1CCOCC1)C=CC2=CC=CO2~   11.278
16057 CCOC(=O)C1=C(C)C=C(NC(C)=O)C=C1C~   10.192
16058 CC(=O)N[CH](CCCC1=CC=CC=C1)C(O)=O~   12.162
16062 CC(C)[C](C)(NC(=O)C1=CC=CC=C1)C(O)=O~   11.650
16063 CCC[C](C)(NC(=O)C1=CC=CC=C1)C(O)=O~   11.650
16064 CCOC(=O)C=C(C)NC1=CC=C(OC)C=C1~    8.870
16066 COC1=CC=C(C=C1)C(=O)CN2CCOCC2~   10.406
16067 OC[CH](C(=O)N1CCOCC1)C2=CC=CC=C2~   14.839
16068 COC1=CC=C(C=C1OC)C(=O)NCC(C)=C~   10.456
16069 CCCCCCN1C(=O)C2=CC=CC=C2S1(=O)=O~    7.955
16070 CSCC[CH](NC(=O)SCC1=CC=CC=C1)C(O)=O~   12.417
16072 COC(=O)C(N(C)CC1=CC=CC=C1)C(=O)OC~    9.478
16073 CCOC(=O)[CH](NC(C)=O)[CH](O)C1=CC=CC=C1~   14.217
16074 CCCOC(=O)C1=CC=C(N=C1)C(=O)OCCC~    9.041
16075 CC1(COC(CCC2=CC=CC=C2)OC1)[N+]([O-])=O~    8.495
16076 CCC1(COC(OC1)C2=CC=C(C)C=C2)[N+]([O-])=O~    8.575
16077 CCC1(COC(CC2=CC=CC=C2)OC1)[N+]([O-])=O~    8.495
16078 CC(C)[CH](NC(=O)OCC1=CC=CC=C1)C(O)=O~   11.613
16080 O=C1CC(CC(=O)N1)CC(=O)[CH]2CCCCC2=O~   13.680
16082 C[CH]1CCC(=O)[CH](C1)C(=O)C2CC(=O)NC(=O)C2~   13.680
16083 C[CH]1O[CH](OCC1(C)C)C2=CC=CC(=C2)[N+]([O-])=O~    7.656
16084 OC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2~   10.470
16085 CC1=CC=C(C=C1)S(=O)(=O)NC2(CCCC2)C(O)=O~    9.682
16087 CCC1(COC(OC1)C2=CC=C(OC)C=C2)[N+]([O-])=O~    9.848
16088 CCOC(=O)C(=O)C1=C(C)NC(=C1C(=O)OCC)C~   11.492
16089 OC[CH]1O[CH](O)[CH](N=CC2=C(O)C=CC=C2)[CH](O)[CH]1O~   18.833
16093 CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)C#N~   10.818
16094 CC1=[N+](CCC2=CC=CC=C2)C(=CS1)C~   10.971
16095 CN(C)C1=C(C)N(C)N(C2=CC=CC=C2)C1=O~   10.860
16096 COC1=CC(=C2N=CC=CC2=C1)NCCCN~   14.242
16097 CCC1=CC2=C(CCCC2=NNC(N)=O)C=C1~   10.004
16098 CC(=O)NC1=CC2=C(N)C=C(C)[N+](=C2C=C1)C~   20.183
16099 NC1=CC(=C(C=C1)C#N)OCCN2CCOCC2~   14.309
16100 CC(=O)CC(C)(C)NC(=S)NC1=CC=C(C=C1)[N+]([O-])=O~   11.924
16101 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCC2~   11.752
16102 COC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(CC(C)C)S2~   10.987
16103 CCOC(=O)CCC(C)=NNC1=CC=C(C=C1)[N+]([O-])=O~    9.827
16105 C[CH]1CCCCC1=NNS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O~    7.967
16106 CC1CCC(CC1)=NNS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O~    7.967
16107 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=C(C)CCC(O)=O~   16.648
16108 CCC1=C(NC2=CC=C(C)C=C2)N=C(N)N=C1N~   12.389
16109 CCCC(=O)NC1=NC=NC2=C1N(C=N2)C(=O)CCC~   15.498
16111 CC1(C)O[CH]2[CH](CO)O[CH]([CH]2O1)N3C=NC4=C(N)N=CN=C34~   22.475
16113 NNC(=O)C[N+]1=C(N)C(=CC=C1N)N=NC2=CC=CC=C2~   28.488
16114 C[CH]1CCC(C)(C)C2=C1C=CC=C2~    1.924
16116 C[CH]1CC(C)(C)C2=C1C=C(C)C=C2~    2.003
16117 CC(C)[CH]1CC2=C(C1)C(=CC=C2)C~    2.003
16118 C=CCN1CCN(CC1)C2=CC=CC=C2~    7.487
16119 CCCCCCN1C=NC2=CC=CC=C12~    4.492
16120 C(C[N+]1=CC=CC=C1)C[N+]2=CC=CC=C2~   12.267
16121 CN(C)CCC[CH](C#N)C1=CC=CC=C1~    8.544
16122 NC(=O)[CH](N1CCCCC1)C2=CC=CC=C2~   11.035
16123 CCN1C=C([CH](O)CNC)C2=C1C=CC=C2~   12.517
16124 CN(C)CC[CH](O)C1=CNC2=C1C=CC=C2~   13.506
16125 CC1=CC=C(C=C1)C(=O)NN2CCCCC2~   10.294
16126 CN(C)C[CH](O)C1=CN(C)C2=C1C=CC=C2~   12.299
16127 CC(=O)CC(C)(C)NC(=S)NC1=CC=CC=C1~    9.521
16129 [O-][N+](=O)C1=C(CCN2CCCCC2)C=CC=C1~    7.799
16130 COC1=CC2=C(C=C1OC)C(=CN2)CN(C)C~   11.770
16132 CCOC(=O)CCC(C)=NNC1=CC=CC=C1~    7.424
16133 CCCC[CH](C(=O)NC(N)=O)C1=CC=CC=C1~   10.569
16134 CC(=O)NC1=C(C)C(=C(C)C=C1C)NC(C)=O~   10.821
16137 CC(=O)CC(C)(C)NC(=S)NC1=CC=C(O)C=C1~   13.504
16139 CCN(CC)CCC(=O)C1=CC(=CC=C1)[N+]([O-])=O~   10.348
16140 N[CH](CCCCNC(=O)C1=CC=CC=C1)C(O)=O~   15.638
16142 CCNCC(=O)NC1=CC=C(C=C1)C(=O)OCC~   12.500
16143 CCCNCC(=O)NC1=CC=C(C=C1)C(=O)OC~   12.500
16144 CCNCC(=O)NC1=C(C=CC=C1)C(=O)OCC~   12.500
16145 N[CH](CCC[CH](N)C(=O)C1=CC=CC=C1)C(O)=O~   15.020
16146 O=C(NC1=CC=CC=C1)OCCN2CCOCC2~   13.007
16148 CCN(CC)CCN1C(=O)C2=C(C=CC=C2)S1(=O)=O~   11.504
16149 CCOC(=O)C(CCC#N)(CCC#N)C(=O)OCC~   12.406
16150 CCN(CCO)CCC(=O)C1=CC=C(C=C1)[N+]([O-])=O~   14.785
16151 O[CH](CCN1CCOCC1)C2=CC=C(C=C2)[N+]([O-])=O~   14.289
16153 OC[CH](O)[CH](O)[CH](O)[CH](NCC1=CC=CC=C1)C#N~   17.510
16154 CCOC(=O)NC1=C(NC(=O)OCC)C=C(C)C=C1~    9.564
16155 C[N+]1(CCOCC1)CC(=O)C2=CC(=CC=C2)[N+]([O-])=O~   19.724
16156 COC1=CC(=CC(=C1OC)OC)C(=O)NN=C(C)C~   11.666
16157 CCOC(=O)NN(C(=O)OCC)C1=C(C)C=CC=C1~    7.521
16158 CCOC(=O)NC(NC(=O)OCC)C1=CC=CC=C1~    8.136
16159 COC[CH](CN(C)C)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O~   11.854
16160 CCC1=C(C=C(C(=C1[N+]([O-])=O)OC)C(C)(C)C)[N+]([O-])=O~    7.726
16161 CCCCS(=O)(=O)NC1=CC(=CC(=C1)C(=O)OCC)[N+]([O-])=O~   10.036
16162 CCOC(=O)[CH](CS(N)(=O)=O)NC(=O)OCC1=CC=CC=C1~   13.775
16164 S=C(NC1CCCCC1)NC2=CC=CC=C2~    6.458
16166 CCN(CC)CCSC1=NC2=CC=CC=C2S1~   10.900
16168 NC(=N)NCCC[CH](N=CC1=CC=CC=C1)C(O)=O~   16.023
16169 CN1C(=O)N(C)C2=C(N=C(N2)C3CCCCC3)C1=O~   11.472
16170 CN(C)CCCN1C(=NC2=C1C(=CC=C2)[N+]([O-])=O)C~   10.526
16173 CN(C)S(=O)(=O)NC1=C(C)N(C)N(C1=O)C2=CC=CC=C2~   12.896
16174 CCCCCCC=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~    8.023
16176 CCCSC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=NC=N1~   18.201
16177 CCOC(=O)C1=C(C)C(=C(N1)C=NNC(N)=O)C(=O)OCC~   16.971
16178 CC(C)C1=CC(=C(C=C1)N2C(=N)NC(=N)NC2=N)C~   16.075
16180 COC1=C(C=CC=C1)C2CCCCC2~    3.194
16181 COC1=CC=C(C=C1)C2CCCCC2~    3.194
16183 CC(C)C1=CC=C(C=C1)[CH](O)CC=C~    6.133
16184 CC[C]1(O)[CH](C)CCC2=C1C=CC=C2~    6.361
16185 C[CH](CC1=C(C)C=C(C)C(=C1)C)C=O~    4.886
16186 CCCC1=CC=C(C[CH](C)C=O)C=C1~    4.726
16187 C[CH](C1=CC=CC=C1)C2(O)CCCC2~    6.280
16188 CC(=O)CC(C)(C)C1=CC=C(C)C=C1~    4.987
16190 O[CH](C1CCCCC1)C2=CC=CC=C2~    6.280
16191 CC(C)(C)C1=CC2=C(CCC2)C=C1O~    5.987
16192 C[CH](CCC(C)=O)C1=CC=C(C)C=C1~    4.987
16195 CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)C(O)=O~   15.536
16196 CCC(CC)(CC1=CC=CC=C1)C(O)=O~    6.740
16197 CCCCC(=O)C1=CC(=C(OC)C=C1)C~    5.824
16198 CC(C)C(=O)OCCCC1=CC=CC=C1~    4.357
16199 CCC(=O)OC1=CC=C(C=C1)C(C)(C)C~    3.654
16201 C[CH]1C[CH](C)O[C](C)(O1)C2=CC=CC=C2~    5.253
16202 CCCC(=O)OC1=CC=C(C=C1)C(C)C~    3.654
16205 C[CH]1CCO[C](C)(CC2=CC=CC=C2)O1~    5.253
16206 C[CH]1O[C](C)(CC2=CC=CC=C2)O[CH]1C~    5.253
16207 CCOC(=O)CC1=C(C)C=C(C)C=C1C~    4.597
16208 CC[C](C)(CC(O)=O)CC1=CC=CC=C1~    6.740
16209 CCC[CH](C)C(=O)OCC1=CC=CC=C1~    4.357
16210 CCC(CC)OC(=O)C1=C(C)C=CC=C1~    3.924
16211 CCC(CC)OC(=O)C1=CC(=CC=C1)C~    3.924
16212 CCCCCOC(=O)C1=CC(=CC=C1)C~    3.924
16214 CCC(CC)COC(=O)C1=CC=CC=C1~    3.845
16215 CC(C)CCCOC(=O)C1=CC=CC=C1~    3.845
16216 CCC(CC)C(=O)OCC1=CC=CC=C1~    4.357
16217 CCCOC(=O)C1=CC=C(C=C1)C(C)C~    3.924
16218 CC(C)OC(=O)C1=CC=C(C=C1)C(C)C~    3.924
16219 CCC(CC)OC(=O)CC1=CC=CC=C1~    4.357
16220 C[CH]1CO[CH](O1)C2=CC=C(C=C2)C(C)C~    5.333
16221 CCC(=O)OC1=C(C=CC(=C1)C)C(C)C~    3.733
16222 CC(C)CC(=O)OCCC1=CC=CC=C1~    4.357
16223 CC(C)[CH](C(O)=O)C1=C(C)C(=CC=C1)C~    6.900
16226 CCCCOC1=CC=C(CC(C)=O)C=C1~    6.256
16227 CCC1=CC=C(OC[CH]2CCCO2)C=C1~    6.149
16228 CCCCCOC(=O)C1=CC=C(C)C=C1~    3.924
16229 CC(C)CCOC(=O)C1=CC=C(C)C=C1~    3.924
16230 C[CH]1CC(C)(C)O[CH](O1)C2=CC=CC=C2~    5.253
16232 CCCCCOC1=CC=C(C=C1)C(C)=O~    5.745
16234 CC1=CC=C(C=C1)C2OCC(C)(C)CO2~    5.333
16235 CC(=O)OC1=C(C=C(C)C=C1)C(C)(C)C~    3.733
16236 CC(=O)O[CH]1C[CH]2CC[C]13CC=CC[CH]23~    3.648
16237 CCCCCC1(C)OC2=CC=CC=C2O1~    4.465
16239 CC[C]1(OCC[CH](C)O1)C2=CC=CC=C2~    5.253
16241 CC[CH](C(=O)CC)C1=CC=C(OC)C=C1~    6.256
16242 CCOC(=O)CCCCC1=CC=CC=C1~    4.357
16243 C[CH]1O[CH](OCC1(C)C)C2=CC=CC=C2~    5.253
16244 CCC(C)(C)OC(=O)C1=C(C)C=CC=C1~    3.924
16245 CCC1(C)COC(OC1)C2=CC=CC=C2~    5.253
16246 CC1=CC=C(C=C1)[CH](O)C(=O)C(C)(C)C~    5.793
16247 C[CH]1O[CH](O[CH]1C)[CH](C)C2=CC=CC=C2~    5.253
16248 C[CH]1CCO[CH](O1)[CH](C)C2=CC=CC=C2~    5.253
16249 C[CH](C(=O)OC(C)(C)C)C1=CC=CC=C1~    4.357
16250 CCC[C]1(C)OC[CH](O1)C2=CC=CC=C2~    5.253
16251 CCCCCOC(=O)CC1=CC=CC=C1~    4.357
16253 CC(=O)CC(C)(C)OCC1=CC=CC=C1~    6.959
16254 C[CH]1CCO[C](C)(O1)C2=CC=C(C)C=C2~    5.333
16257 O=C(CCC1=CC=CS1)OC2CCCCC2~    4.730
16258 CC(C)(C)OC(=O)C[CH](O)C1=CC=CC=C1~    8.793
16259 CCCCC(=O)C1=CC(=CC(=C1)OC)OC~    7.095
16260 CCCCCC(=O)OC1=C(OC)C=CC=C1~    4.924
16263 CC(C)CCOC(=O)[CH](O)C1=CC=CC=C1~    5.164
16264 COC1=CC=C(C=C1)[CH]2O[CH](C)C[CH](C)O2~    6.604
16267 CCCCCOC1=CC=C(C=C1)C(=O)OC~    5.195
16268 CCOC(=O)[CH](O)C1=CC=C(C=C1)C(C)C~    5.244
16270 CCCOC1=CC(=C(C(O)=O)C(=C1)C)CC~    7.738
16271 CCC(C)(C)[CH](O)C1=CC2=C(OCO2)C=C1~    8.983
16273 CO[CH](C)CCOC(=O)CC1=CC=CC=C1~    6.411
16275 CO[CH](C)CCOC(=O)C1=CC(=CC=C1)C~    5.979
16277 COCCOC(=O)C1=CC=C(C=C1)C(C)C~    5.979
16278 CCC(O)(CC)[CH](C(O)=O)C1=CC=CC=C1~   11.176
16279 CCC[CH](O)[C](C)(C(O)=O)C1=CC=CC=C1~   11.176
16280 CCCCOCCOC(=O)C1=CC=CC=C1~    5.900
16281 CCCCC(=O)OCCOC1=CC=CC=C1~    5.627
16282 CCCCOC(=O)CC1=CC=C(OC)C=C1~    5.708
16283 COC1=CC=C(CC(=O)OCC(C)C)C=C1~    5.708
16284 CCCCCCOC1=CC=C(C=C1)C(O)=O~    7.578
16285 CCCOC1=CC2=C(OCO2)C=C1CCC~    5.896
16286 COC1=CC=C(COC(=O)CC(C)C)C=C1~    5.708
16288 CC(C)OC(=O)C1=C(OC(C)C)C=CC=C1~    5.195
16289 CCOC(=O)[CH](C1=CC=CC=C1)C(C)(C)O~    8.793
16290 OCCCC[CH]1CO[CH](O1)C2=CC=CC=C2~    9.690
16291 CC(C)[CH](O)[C](C)(C(O)=O)C1=CC=CC=C1~   11.176
16292 COC1=C(C=CC=C1)C2OCC(C)(C)CO2~    6.604
16294 COC1=CC=C(C=C1)[C]2(C)OCC[CH](C)O2~    6.604
16295 CCOC(=O)[CH](CC)[CH](O)C1=CC=CC=C1~    8.793
16296 COC(=O)CCC1=CC=C(CSCCO)C=C1~   10.971
16299 CCOC(=O)CCC1=CC(=C(OC)C=C1)OC~    7.059
16300 COC1=C(OC)C2=C(C[CH](CO)[CH]2CO)C=C1~   10.499
16301 CCC(CC)COC(=O)C1=CC(=C(O)C=C1)O~   11.810
16304 COCCOCCOC(=O)CC1=CC=CC=C1~    8.466
16306 CC(=O)C(CCC=C(C(C)=O)C(C)=O)C(C)=O~   13.860
16307 CCOC[CH]1CO[CH](O1)C2=CC=C(OC)C=C2~    8.658
16308 COC1=CC=C(C=C1OC)[CH]2O[CH](C)[CH](C)O2~    7.955
16311 CCOC1=CC=C(C=C1OC)[CH]2OC[CH](C)O2~    7.955
16312 CCCOC(=O)CC1=CC(=C(OC)C=C1)OC~    7.059
16315 OC1(CCCCC1)[CH](C2=CC=CC=C2)S(O)(=O)=O~   13.047
16316 COCCOC(=O)CC1=CC(=C(OC)C=C1)OC~    9.114
16320 CC1=CC=C(C=C1)S(=O)(=O)[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O~   17.304
16322 CC1=C(OC[CH](O)COC(=O)CCS(O)(=O)=O)C=CC=C1~   16.914
16323 CCOC(=O)C(CC(O)=O)=C(C(=O)OCC)C(=O)OCC~   14.247
16324 CC(=O)OC[CH]1O[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O~   14.444
16326 C1CCN(CC1)CCC2=CC=CC=C2~    5.394
16327 CN1CCC(CC1)CC2=CC=CC=C2~    5.394
16328 OC1=CC=C(CNC2CCCCC2)C=C1~    9.595
16329 CC(C)CCN(C(C)=O)C1=CC=CC=C1~    6.406
16330 CC(C)N(C(C)C)C(=O)C1=CC=CC=C1~    7.479
16333 CCCCCC(=O)NCC1=CC=CC=C1~    8.210
16334 OC1=CC=C(CCC2CCNCC2)C=C1~    9.595
16335 OC1=C(CNC2CCCCC2)C=CC=C1~    9.595
16336 OC1=CC=CC(=C1)CNC2CCCCC2~    9.595
16337 CCN(CC)C(=O)C1=C(CC)C=CC=C1~    7.559
16338 CC[CH](C(C)C)C(=O)NC1=CC=CC=C1~    7.595
16339 CCC[CH](CCC1=CC=CC=C1)C(N)=O~    8.429
16340 CC(C)NC(=O)C1=CC=C(C=C1)C(C)C~    7.777
16342 CC(C)[CH](C(N)=O)C1=C(C)C=CC(=C1)C~    8.590
16344 CC[CH](C(=O)NC(C)C)C1=CC=CC=C1~    8.210
16346 CC1=CC(=C(O)C=C1)CN2CCCCC2~    9.457
16348 CN1CCCC[CH]1[CH](O)C2=CC=CC=C2~    9.830
16349 O[CH](CN1CCCCC1)C2=CC=CC=C2~    9.830
16350 CCCCCNC(=O)C1=CC(=CC=C1)C~    7.777
16352 CN(C)CC[CH](C(C)=O)C1=CC=CC=C1~    8.456
16353 CC(C)[CH](C(=O)C(C)C)C1=CC=CC=N1~    7.666
16354 CC(C)CC(=O)CCCC1=CC=CC=N1~    7.666
16356 O=C(CCN1CCCCCC1)C2=CC=CS2~    8.318
16357 CCCCNC(=O)C1=CC=C(OCC)C=C1~    9.049
16358 CCOC1=CC=C(C=C1)C(=O)NCC(C)C~    9.049
16360 CC(C)COC(=O)[CH](N)CC1=CC=CC=C1~    7.045
16361 COC1=CC=C(C=C1)[CH](O)[CH]2CCCCN2~   11.400
16362 CC(C)N(C(C)C)C(=O)C1=C(O)C=CC=C1~    8.363
16363 CCCN(CC)CC1=CC2=C(OCO2)C=C1~    8.096
16364 CC(C)C[CH](NCC1=CC=CC=C1)C(O)=O~    9.208
16366 CCN(CC)CC1=CC(=CC=C1)C(=O)OC~    7.475
16368 CN(C)CC[CH](OC(C)=O)C1=CC=CC=C1~    7.907
16371 CCC[CH]1NCCO[C]1(O)C2=CC=CC=C2~   12.104
16372 CCN(CC)CCOC(=O)C1=CC=CC=C1~    7.395
16373 CCOC1=CC2=C(CNCC2)C=C1OCC~    8.395
16376 COC1=CC2=C(C=C1OC)C=[N+](C)[CH](C)C2~   14.195
16377 COC1=CC2=C(CN(C)[CH](C)C2)C=C1OC~    8.177
16378 CCOC1=CC2=C(CN(C)CC2)C=C1OC~    8.177
16379 C[CH]1CC2=C(C[N+]1(C)C)C=C3OCOC3=C2~   16.796
16380 CCN(CC)CCOC1=CC=C(C=O)C=C1~    9.035
16381 C[N+]1(CCOCC1)CC(=O)C2=CC=CC=C2~   17.319
16382 COC1=CC2=C(C=C1OC)[CH](C)N(C)CC2~    8.177
16383 CCOC(=O)C[CH](C)NCC1=CC=CC=C1~    8.126
16391 CC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2~    5.730
16392 CCCCOC(=O)[CH](N)CC1=CC=C(O)C=C1~   11.027
16393 CCN(CC)CCOC(=O)C1=C(O)C=CC=C1~    8.277
16395 CCC(=O)NCCC1=CC(=C(OC)C=C1)OC~   10.914
16397 CCOC(CN=CC1=CC=C(O)C=C1)OCC~   10.184
16398 CCCOC(=O)[CH](N)CC1=CC=C(OC)C=C1~    8.396
16399 COC1=CC=C(C[CH](N)C(=O)OC(C)C)C=C1~    8.396
16400 CCOC(=O)C1=C(C)NC(=C(C1)C(=O)OCC)C~    9.394
16401 CCNC(=O)OC[CH](O)COC1=C(C)C=CC=C1~   13.450
16402 CCOC(=O)C1=C(C)C(=C(C)N1C)C(=O)OCC~    7.764
16403 CCC(C)(C)C1=CC(=C(OCCO)C=C1)[N+]([O-])=O~    9.680
16405 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC)CC~    7.513
16406 CCCCS(=O)(=O)NC1=C(C=CC=C1)C(=O)OCC~    7.633
16408 CCC(CC)CS(=O)(=O)NC1=CC=C(C=C1)C(O)=O~   10.015
16409 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O~    9.896
16410 CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(O)=O~   10.627
16414 CC(C)C[CH](NS(=O)(=O)CC1=CC=CC=C1)C(O)=O~    9.762
16415 CC1=CC=C(NCC(=O)[CH](O)[CH](O)[CH](O)CO)C=C1~   11.955
16416 OC[CH](O)[CH](O)[CH](O)[CH](O)C(=O)NCC1=CC=CC=C1~   14.764
16417 CS(=O)(=O)OCCN(CCOS(C)(=O)=O)C1=CC=C(C=O)C=C1~   14.947
16419 S=C1NC2(CCCCC2)C3=C(CCCC3)S1~    3.570
16420 CN1CCN(CC1)C(=O)NC2=CC=C(C)C=C2~   12.507
16422 CCCCNC(=S)NN=CC1=CC=C(OC)C=C1~    7.983
16423 COC1=C(NC(=O)N2CCN(C)CC2)C=CC=C1~   13.777
16424 CC1=CC=C(NC(=O)NCN2CCOCC2)C=C1~   12.281
16425 C[CH]1CCCCC1=NNS(=O)(=O)C2=CC=C(N)C=C2~    9.016
16426 CC1CCC(CC1)=NNS(=O)(=O)C2=CC=C(N)C=C2~    9.016
16427 CCCCOC(=O)[CH]1CCC2=C(C1)C(=NC(=N2)N)O~   11.697
16428 COC1=C(NC(=O)NCN2CCOCC2)C=CC=C1~   13.551
16429 CC(C)CC=NNS(=O)(=O)C1=CC=C(NC(C)=O)C=C1~   11.396
16430 COC(=S)SSC(=S)NCCN(CCNC(=S)SSC(=S)OC)C(=S)SSC(=S)OC~   15.777
16431 CCN(CC)CCNC(=O)C1=C(O)C=C(C=C1)[N+]([O-])=O~   14.535
16432 CCCCC(CC)=NNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O~    7.613
16433 CCCCCC(C)=NNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O~    7.613
16434 CCCCS(=O)(=O)NC1=CC=C(C=C1)C(=O)NNC(C)=O~   13.618
16435 CCN(CC)CCSC1=NC2=CC=CC=C2N1~   10.907
16437 CCNC1=C2C=NN(C3CCCCC3)C2=NC=N1~   11.108
16438 CCOC1=CC=C(C=C1)N2C(=N)NC(=N)NC2(C)C~   13.243
16439 CCC[CH]1NC(=N)NC(=N)N1C2=CC=C(OC)C=C2~   13.243
16440 CN(C)C1=C2N=CN([CH]3CCCC[CH]3O)C2=NC=N1~   14.349
16441 CCCNC1=C2C=NN([CH]3CCCCO3)C2=NC=N1~   14.062
16442 CN1C(=O)N(C)C2=C(N=C(NC3CCCCC3)N2)C1=O~   14.625
16445 CC1=NC(=NC(=C1[N+]([O-])=O)N2CCCC2)N3CCCC3~    6.821
16447 CCOC(=O)NCCC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C~   16.086
16448 CC1=NC(=NC(=C1[N+]([O-])=O)N2CCOCC2)N3CCOCC3~   10.932
16449 CC(C)SC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=NC(=N1)N~   18.103
16451 CCSC1=CC=C(C=C1)N2C(=N)NC(=N)NC2(C)C~   13.550
16453 CC(C)CC1=C(C)C=C(C)C=C1C~    1.728
16454 C1CCCN(CC1)CCC2=CC=CC=N2~    8.154
16455 CN(C)CCN1CCCC2=C1C=CC=C2~    7.439
16457 CCN(CC)C(=O)C1=C(C)C=C(N)C=C1C~   11.092
16458 CCN(CC)C1=CC=C(NC(C)=O)C(=C1)C~    9.719
16459 CN1CCN(CC1)C[CH](O)C2=CC=CC=C2~   13.382
16460 CCN(CC)CCNC(=O)C1=CC=CC=C1~   11.249
16462 CCCN[CH](C)C(=O)NC1=C(C)C=CC=C1~   10.144
16463 CC(C)CNCC(=O)NC1=C(C)C=CC=C1~   10.144
16464 CCN(CC)CC(=O)NC1=C(C)C=CC=C1~    9.924
16465 CCC(=O)[CH](CCN(C)C)C1=CC=CC=N1~   11.217
16466 O=C1NC2=C(CCC[CH]2CN3CCCCC3)S1~    8.368
16467 CCN(CC)CCSC(=O)C1=CC=C(N)C=C1~   11.295
16470 CCN(CC)CC1=CC(=CC=C1O)NC(C)=O~   15.208
16472 CCOC(=O)N(CCN(C)C)C1=CC=CC=C1~    9.408
16473 CCN(CC)CCOC(=O)C1=CC(=CC=C1)N~   10.848
16475 CC(C)CNCCOC(=O)C1=CC(=CC=C1)N~   11.065
16477 CCN(CC)S(=O)(=O)C1=CC2=C(NCCC2)C=C1~    8.745
16478 CCC[CH](C)[C]1(CC=C)C(=O)NC(=S)N(C)C1=O~    7.860
16479 CCN(CC)CCOC(=O)C1=C(O)C=C(N)C=C1~   11.730
16480 CN(C)CC1=CC(=C(O)C(=C1)CN(C)C)C(O)=O~   14.372
16482 COCCCNCCOC(=O)C1=CC=C(N)C=C1~   13.120
16485 C[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)C(=O)NNC1=CC=CC=C1~   16.529
16486 C[CH](N)C(=O)N[CH]1[CH](C)OC(=O)C2=C(O)C[CH](O)[CH](O)[CH]12~   19.316
16489 CC1=CC=C(C=C1)S(=O)(=O)NN=C[CH](O)[CH](O)[CH](O)[CH](O)CO~   15.474
16490 CCSCN1CCN(CC1)C2=CC=CC=C2~    6.783
16492 CCC1=NC(=C(C[N+]2=CSC(=C2C)CCO)C=N1)N~   21.963
16495 CCCCOC(=O)[CH]1CCC2=C(C1)C(=NC(=N2)N)N~   11.166
16497 CN1C(=O)N(C)C2=C(N(C)C(=N2)OCC(C)(C)C)C1=O~   11.182
16498 CCCCCOC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C~   11.182
16499 CC(C)CCOC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C~   11.182
16500 CC1=CC=C(C=C1)S(=O)(=O)N[CH](CCCNC(N)=N)C(O)=O~   18.606
16501 CCCCCCCCSC1=C2N=CNC2=NC=N1~    8.785
16502 CCCCCCCCSC1=C2C=NNC2=NC=N1~    8.793
16503 CN1CCN(CC1)C2=NC3=C(N2C)C(=O)N(C)C(=O)N3C~   15.783
16504 CC(C)(O)CC(C)(C)C1=CC=CC=C1~    5.924
16506 CC1C(O)C23CCC1C2CC(=CC3)C~    5.144
16510 CC(=O)OCCC1=CC[CH]2C[CH]1C2(C)C~    3.220
16511 C[CH](O)COC1=CC=C(C=C1)C(C)(C)C~    7.276
16512 CC[CH](C)C1=CC=C(OC[CH](C)O)C=C1~    7.276
16514 CC(C)(C)C1=CC=C(C=C1)C(C)(C)OO~    5.600
16516 CCCOC(OCCC)C1=CC=CC=C1~    4.896
16517 CC(=O)O[CH]1C[CH]2CC[C]13CCCC[CH]23~    3.592
16518 C[CH]1C=C(C)C[CH]([CH]1C)C(=O)OCC=C~    2.991
16519 CCOCC1=C(O)C=CC(=C1)C(C)(C)C~    7.606
16520 CCC[CH]1O[CH](OC[CH]1CC)C2=CC=CO2~    5.007
16521 CCOC(=O)[CH]1[CH](CC(=O)C=C1C)C(C)C~    6.556
16522 CCCCCCCC=C[CH]1CC(=O)OC1=O~    3.752
16523 CCOC(COC1=C(C)C=CC=C1)OCC~    6.248
16525 CCCCCCOS(=O)(=O)C1=CC=C(C)C=C1~    5.435
16526 CC(=O)OC[CH]1[CH]2CC[CH](C2)[CH]1COC(C)=O~    6.106
16527 CCOC(OCC)C1=CC=C(OC)C(=C1)OC~    7.599
16528 C[CH]1CC=CC[CH]1[CH]2OC[CH](COC(C)=O)O2~    6.701
16530 CC(=O)O[CH](CCC[CH](OC(C)=O)C=C)C=C~    5.650
16531 CCOC(=O)C([CH]1CCCC=C1)C(=O)OCC~    5.807
16533 CCS(=O)(=O)C(CCC1=CC=CC=C1)S(=O)(=O)CC~    9.876
16534 CCOC(=O)C[C]1(CCCCC1=O)C(=O)OCC~    9.169
16535 C[CH](OC(=O)C(C)(C)OC(C)=O)C(=O)OCC(C)=C~    6.620
16537 CC(=O)OCC(COC(C)=O)(COC(C)=O)COC(C)=O~   11.134
16538 CC(C)(C)[CH](OC(=O)OC[CH]1CO1)OC(=O)OC[CH]2CO2~    9.618
16543 CCCCN[CH](CC)C1=CC=CC=C1~    5.256
16545 CN(C)CCC1=C(C)C=C(C)C=C1C~    5.279
16546 CC(=C)CN=C1CC(C)(C)CC(=C1)C~    1.356
16547 CCN(CC)CCCC1=CC=CC=C1~    5.038
16548 CCCC[N+]1(C)CC2=CC=CC=C2C1~   13.740
16549 CCC(O)(CC)[CH](NC)C1=CC=CC=C1~    9.695
16550 CCC(CC)(NC)[CH](O)C1=CC=CC=C1~    9.695
16551 CCN(CC)CCOC1=C(C)C=CC=C1~    6.389
16553 O=C1[CH]2CCC[CH]1[CH](CC2)N3CCCC3~    7.693
16554 CC[C](C)([CH](O)C1=CC=CC=C1)N(C)C~    9.475
16557 CC(C)CNC[CH](O)CC1=CC=CC=C1~    9.695
16558 CCN(CC)C[CH](CO)C1=CC=CC=C1~    9.475
16559 CCCCNCCOC1=CC(=CC=C1)C~    6.607
16560 CCCC(O)(CCC)CC1=CC=CN=C1~    8.684
16562 CN(C)CCCCCOC1=CC=CC=C1~    6.309
16563 CCN(CC)C[CH](O)CSC1=CC=CC=C1~   11.054
16564 CC(C)(C)C1=CC(=C(O)C=C1)CNCCO~   13.757
16565 CCOC(=O)[CH](C#N)[CH]1CCC[CH](C)CC1~    6.386
16567 COC1=CC2=C(C[N+](C)(C)CC2)C=C1OC~   16.441
16568 C[CH](O)CN(C[CH](C)O)CC1=CC=CC=C1~   10.914
16569 C[N+]1(CCOCC1)C[CH](O)C2=CC=CC=C2~   20.151
16570 CC(C)CNC[CH](O)COC1=CC=CC=C1~   10.963
16571 CCNC[CH](O)CC1=CC=C(OCC)C=C1~   11.045
16575 CCC1(COC(OC1)[CH]2CC=CC[CH]2C)[N+]([O-])=O~    7.075
16578 C[CH](OC(C)=O)C(=O)N(CCOC(C)=O)CCOC(C)=O~   13.917
16579 CCCCCCSCCC1=CC=NC=C1~    6.343
16580 CCCCCCCCSC1=CC=CC=N1~    4.236
16582 CCN(CC)CCNC(=O)C1=CC=C(N)C=C1~   14.701
16583 CCN(CC)CCCNC1=CC=C(C=C1)[N+]([O-])=O~   10.595
16585 CCCCC(CC)=NNS(=O)(=O)C1=CC=C(N)C=C1~    8.662
16587 CC(C)C[CH](NS(=O)(=O)CC1=CC=CC=C1)C(=O)NN~   13.833
16588 C[N+](C)(C)CCCSC1=NC2=CC=CC=C2N1~   19.171
16590 CCCCCCCNC1=NC=NC2=C1C=NN2C~   10.752
16591 CCCCCCCCNC1=C2C=NNC2=NC=N1~   11.959
16593 CCCCCCCCN1C=NC2=C1N=C(N)N=C2O~   11.396
16594 CCN(CC)CCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O~   13.382
16595 CCN(CC)CCN1C=NC2=C1C(=O)N(C)C(=O)N2C~   13.382
16596 CCOCCN(CCOCC)C1=C2C=NNC2=NC=N1~   14.879
16597 CCOCCN(CCOCC)C1=C2N=CNC2=NC=N1~   14.873
16598 CN1C(=C(NC(=S)NC2CCCCC2)C(=O)N(C)C1=O)N~   13.652
16600 CCN(CC)CCCNC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O~   14.979
16601 CC(C)CSC1=NC(=NC2=C1N=CN2CC(C)C)N~    7.481
16603 C1CCC(CC1)N=C=NC2CCCCC2~    2.975
16606 CCCN(CCC)CCC1=NC=CC=C1~    7.799
16607 C=CCN(CC=C)CN(CC=C)CC=C~    4.770
16608 CC1=CC(=C(CNC2CCCCC2)N1)C~    8.300
16609 CC(=C)COC(=N)N(CC(C)=C)CC(C)=C~    6.951
16612 CC[N+](C)(C)C1=CC(=C(C)C=C1)OC(=O)NC~   18.238
16613 O=C(CCCCCCCC(=O)N1CC1)N2CC2~   10.177
16614 CC(=O)CC(C)=NCCCN=C(C)CC(C)=O~    9.101
16615 CN(C)C(=O)C1CC2(C1)CC(C2)C(=O)N(C)C~   10.177
16617 CCCCC1(CCC(C)C)C(=O)NC(=S)NC1=O~    7.951
16619 CC1=CC(=C(NC[CH](O)[CH](O)[CH](O)CO)C=C1C)N~   17.000
16620 CCCCOC(=O)C=CC(=O)NC(=O)NC(C)(C)C~   11.991
16621 CC1=CC(C)(C)NC(=S)N1C2CCCCC2~    5.116
16623 CCCCNC1=NC(=C2C=NNC2=N1)NCCCC~   11.642
16625 CCN(CC)C1=NC(=C2N=CNC2=N1)N(CC)CC~    9.257
16626 CCN(CC)CCNC1=NC2=C(N1)N(C)C(=O)N(C)C2=O~   17.821
16627 CCC(=O)[CH]1C[CH](CC=C1C)C(C)C~    3.413
16630 CC[C](C)(O)C#C[C]1(O)CCCC[CH]1C~    7.090
16633 O=COC1CCC(CC1)C2CCCCC2~    2.979
16634 CC(C)OC(=O)[CH]1[CH](C=C(C)C)C1(C)C~    2.866
16637 CCC(=O)OCC=C(C)CCC=C(C)C~    2.493
16638 CCC(=O)O[C](C)(CCC=C(C)C)C=C~    2.636
16643 C[CH](CCCC(C)=C)CCOC(=O)C(C)=O~    5.105
16644 C[CH]1CCC[CH](COC(C)=O)[CH]1COC(C)=O~    5.750
16645 CCCC(CCC1CCCC1)(C(O)=O)C(O)=O~   10.516
16647 CCCCOC(=O)CC(=C)C(=O)OCCCC~    5.724
16648 CCOC(=O)C(CC)(CC(C)=C)C(=O)OCC~    5.451
16649 CCCC(=O)O[CH]1CCC[CH]1OC(=O)CCC~    5.750
16650 CCOC(=O)C(CC)([CH](C)C=C)C(=O)OCC~    5.523
16651 CCOC(=O)C(C1CCCCC1)C(=O)OCC~    5.750
16652 CC(C)COC(=O)CC(=C)C(=O)OCC(C)C~    5.724
16654 CC1(C)OC[CH](O1)[CH]2O[CH]3OC(C)(C)O[CH]3[CH]2OS(C)(=O)=O~   15.582
16657 OCCN(C1CCCCC1)[CH]2CCC=C2~    8.411
16659 COC1=CC(=C(C[N+](C)(C)C)C(=C1)C)OC~   16.086
16660 CCCCCCC1(C)CC(=O)N(C)C(=O)C1~    6.270
16661 CC(C)N=C(CC(C)=O)[CH](C(C)C)C(C)=O~    7.796
16662 CCN(CC)C(=O)C1(CCCCC1)OC(C)=O~    8.536
16663 CCOC(=O)[C]1(CCCCC1=O)CCN(C)C~    9.851
16664 COC(=O)CCN[CH](C(O)=O)C(C)(C)SCCC(=O)OC~   15.211
16667 CCOC(=O)CNC(=O)N1CCN(CC1)CC(=O)OCC~   14.351
16673 CC[CH](CCC1CCCCC1)C(=O)NC(N)=O~    9.092
16675 CC[CH](C)[CH](CC)C(=O)N(C)C(=O)N(C)C(C)=O~   11.035
16677 S=C(NC1CCCCC1)NC2CCCCC2~    5.599
16680 S=C1N(CCN1CN2CCOCC2)CN3CCOCC3~   11.728
16681 C=CCNC(=N)SCCCCCSC(=N)NCC=C~   14.686
16682 NC(=O)N(CCSC(=N)NCC=C)CCSC(=N)NCC=C~   22.554
16684 CC(C)CCC[CH](C)CC=CC(C)=O~    3.403
16685 CC(C)[CH]1C[CH](C(C)C)[CH](C)C(=O)C1~    3.431
16686 CO[CH]1CCCC[CH]1C2CCCCC2~    2.423
16687 COC1CCC(CC1)C2CCCCC2~    2.423
16689 CC(C)C1CCC(CC1)CCC(C)=O~    3.431
16690 CC(C)[CH]1CCC(=C1CC[CH](C)O)C~    4.361
16691 CCC(=O)[CH]1C[CH](CC[CH]1C)C(C)C~    3.431
16692 CC1C[CH](C)C(CCC(C)=O)[CH](C)C1~    3.431
16693 CC(=O)OCCCCCCCCCC=C~    2.654
16694 CCCCCC(=O)CC(=O)C(CC)CC~    6.492
16696 CCC(=O)O[CH]1C[CH](C)CC[CH]1C(C)C~    2.883
16697 CCCCC1(CC)COC(OC1)C=CC~    3.478
16698 CCC[CH]1OC2(CCCC2)OC[CH]1CC~    3.777
16699 CC[CH](C)C1CCC(CC1)OC(=O)CC~    2.883
16700 CC[CH](C)[CH]1CCCC[CH]1OC(=O)CC~    2.883
16701 CCC(C)(C)C(=O)CC(=O)C(C)(C)CC~    6.492
16702 CCC[CH](C)C(=O)O[CH]1CCCC[CH]1C~    2.883
16703 CCC[CH](C)C(=O)OC1CCC(C)CC1~    2.883
16704 CCCCCCCC[C]1(C)CCC(=O)O1~    2.883
16705 CCCC[CH](CC)CC=C(C)OC(C)=O~    1.682
16706 C[CH]1C[CH](CC[CH]1C(C)(C)C)OC(C)=O~    2.883
16707 C[CH]1CC[CH]([CH](C1)OC(C)=O)C(C)(C)C~    2.883
16708 CCC[CH](C)C1CCC(CC1)OC(C)=O~    2.883
16710 CCC(C)(C)C1CCC(CC1)OC(C)=O~    2.883
16711 CCC(CC)C(=O)O[CH]1CCCC[CH]1C~    2.883
16712 C=CCCCCCCCCC1OCCO1~    3.548
16713 CCCCCCC(=O)OC1CCCCC1~    2.883
16714 CCCCCCCC(=O)OC1CCCC1~    2.883
16715 CCCCCC(=O)O[CH]1CCCC[CH]1C~    2.883
16716 CCC1(CC)COC2(CCCCC2)OC1~    3.777
16717 CC(=O)OCCC(C)(C)C1CCCCC1~    2.883
16718 CC1CCC2(CC1)OCC(C)(C)[CH](C)O2~    3.777
16719 CC(C)[CH]1OC2(CCCC2)OCC1(C)C~    3.777
16720 CCCC(=O)[CH](C(C)C)C(=O)CC(C)C~    6.492
16721 COC(=O)CCCCCC1CCCCC1~    2.883
16723 CCC(=O)O[CH](C)[CH]1CC[CH](C1)C(C)C~    2.883
16724 CC(C)=CCCC1(C)OCC(C)(C)CO1~    3.405
16725 C[CH]1CC(C)(C)C[C]2(C1)OCC[CH](C)O2~    3.777
16727 CCCC[CH](CC)CO[CH]1CCC=CO1~    2.650
16728 CCCCC[CH](CC)[CH](O)C(=O)OCC=C~    3.461
16729 CCOCCOC(=O)CCC1CCCCC1~    4.936
16730 O[CH](CC[CH]1CCCO1)CC[CH]2CCCO2~    9.812
16734 CCC(CC)C(=O)OCCC[CH]1CCCO1~    5.836
16735 CCCCCC(=O)OCCC[CH]1CCCO1~    5.836
16738 CC(=O)SCCCCCCCCCCC(O)=O~    8.226
16739 CCCC(=O)OCC(C)(C)COC(=O)CCC~    5.395
16740 CCCCCCC(C(=O)OCC)C(=O)OCC~    5.395
16742 CCCCCCCCOC(=O)[CH](C)OC(C)=O~    4.545
16743 OC(=O)CCCCCCCCCCCC(O)=O~   10.159
16744 CCOC(=O)C(CC)([CH](C)CC)C(=O)OCC~    5.395
16745 COC(=O)CCCCCCCCCCC(O)=O~    7.777
16746 CCOC(=O)C(C)(CCC(C)C)C(=O)OCC~    5.395
16747 CCOC(=O)CC[C]1(C)OCC(C)(C)[CH](C)O1~    6.291
16748 CCCC(C)(CC(=O)OCC)CC(=O)OCC~    5.395
16749 CCCCC(CC)(C(=O)OCC)C(=O)OCC~    5.395
16750 CC[CH](C[C]1(C)O[CH](C)CC(C)(C)O1)C(O)=O~    8.674
16751 CCCC1OCC2(CO1)COC(CCC)OC2~    7.886
16752 OC(=O)CCCCCCCCCCSCC(O)=O~   12.254
16753 CCCCCCCCOC(=O)O[CH](C)C(=O)OC~    3.996
16755 CCCCCCCCCCCCC#N~    3.161
16756 C[CH](C[CH](C#C)N(C)C)CC(C)(C)C~    4.114
16757 CCCCCCCC[CH](C#C)N(C)C~    4.114
16758 C[CH](N)CCC1=C(C)CCCC1(C)C~    3.910
16759 CCCCC#CCN(C(C)C)C(C)C~    4.411
16761 CCCCN(CCCC)CC#CCC~    4.411
16762 CCCC[N+]1(C)C[CH]2CC=CC[CH]2C1~   12.239
16763 CCN(CC)C(=O)CCC1CCCCC1~    6.517
16764 CN1CCCC[CH]1CC2(O)CCCCC2~    8.356
16766 CCCC[CH](CC)CN=C(C)C=C(C)O~    4.554
16767 CC[CH](CCC1CCCCC1)C(=O)NC~    6.735
16768 CCCCCCCCC(=O)N1CCOCC1~    8.572
16770 CN[CH](CCCCC1CCCCC1)C(O)=O~    7.733
16771 C[C](N)(CCCCCCCCC=C)C(O)=O~    7.724
16772 CCCCCCCCNC(=O)[CH](C)OC(C)=O~    8.399
16776 CCCCCCCCC(=O)OCC(=O)N(C)C~    8.180
16778 CCCCC[C]1(C)OC[CH](COC(=O)N(C)C)O1~    9.377
16779 CCCCCCCCC1OCC(C)(CO1)[N+]([O-])=O~    6.664
16781 CCN(CCO)C[CH]1O[CH](OC)[CH]2OC(C)(C)O[CH]12~   16.775
16782 CCOC(OCC)[CH](N(C)C(=O)OCC)C(=O)OCC~   10.590
16784 CCCCCCCCCCCCSC#N~    3.004
16786 NC(=O)NN=C[CH](O)[CH](O)[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)CO~   26.818
16787 CCCCN1CCN(CCCC)C(=C1)C~    6.600
16788 CN1CCCC[CH]1CCN2CCCCC2~    7.469
16791 CCCCN(CCCC)CCCCC#N~    6.712
16792 CC(C)C(=O)NCCCCN1CCCCC1~   10.286
16794 CC(=O)NCCCCCCN1CCCCC1~   10.286
16795 OC(CN1CCCCC1)CN2CCCCC2~   11.907
16796 CCCCN(CCCC)C(=N)OCC(C)=C~    6.842
16797 OCCNC(=O)CCCCCCCC(=O)NCCO~   15.777
16798 O=C(NCN1CCCCC1)NCN2CCCCC2~   10.337
16799 CCCCCCCCCCCC(C)=O~    3.074
16801 CC(C)[CH]1C[CH](O)[CH](C)[CH](C1)C(C)C~    4.449
16802 CCCCCCCCCC(=O)C(C)C~    3.074
16803 CC(C)[CH](CC1CCCCC1)[CH](C)O~    4.449
16804 CC(C)[CH]1CC[CH](C)[CH]1CC[CH](C)O~    4.449
16805 CC[CH](O)[CH]1C[CH](CC[CH]1C)C(C)C~    4.449
16808 C[CH](CC(C)(C)C)C(=O)OCC(C)(C)C~    2.526
16810 CCCCC1(CC)COC(CCC)OC1~    3.421
16811 CCCCC1(CC)COC(C)(CC)OC1~    3.421
16814 CCCCCCCCC[CH]1OC[CH](C)O1~    3.421
16816 CCCCCCCOC(=O)[CH](C)CCC~    2.526
16817 CCCC[CH](CC)OC(=O)C(CC)CC~    2.526
16818 CCCCCCCOC(=O)C(CC)CC~    2.526
16820 CCCCCCCCOC(=O)CCCC~    2.526
16822 CCCCCCCCOC(=O)CC(C)C~    2.526
16824 CCCCCCCC[CH]1O[CH](C)[CH](C)O1~    3.421
16825 CCCCCCCCCCC1OCCO1~    3.421
16826 CCCCCCCCCCCOC(C)=O~    2.526
16827 CCCCCCCCCCOC(=O)CC~    2.526
16828 CC(C)C[CH]1OCC(C)(C)[CH](O1)C(C)C~    3.421
16830 CCCCCCCC(=O)OCCCCC~    2.526
16831 CCCCCCCC(=O)OC(CC)CC~    2.526
16833 CCCCCCCCCCCCC(O)=O~    4.907
16834 CCCCC[CH](CCC)COC(=O)CC~    2.526
16835 CCC[C]1(C)OCC(C)(C)[CH](O1)C(C)C~    3.421
16836 CCCCCOC(=O)[CH](CC)CC(C)C~    2.526
16837 CC[CH](CC(C)C)C(=O)OCCC(C)C~    2.526
16838 CCCCCC[CH]1OCC(C)(C)[CH](C)O1~    3.421
16840 CCCCCCC1(C)OCC(C)(C)CO1~    3.421
16841 CCCCCC1(CC)OCC(C)(C)CO1~    3.421
16843 CCCCC[C]1(C)OCC(C)(C)[CH](C)O1~    3.421
16846 CCO[CH]1OCCC[CH]1[CH](OCC)C(C)C~    6.376
16848 CCCCC[C]1(C)OC[CH](COC(C)C)O1~    5.476
16851 CCCCC[C]1(C)OC[CH](CCCCO)O1~    7.857
16853 OCCC[CH](O)CC[CH](O)CC[CH]1CCCO1~   10.277
16854 CCCCOCCOCCO[CH]1CCCCO1~    8.431
16855 OCCS(=O)(=O)CCCCCCCCCCC(O)=O~   13.539
16856 C[CH]1C[CH](CC(C)(C)C1)OCCOCCOS(O)(=O)=O~   11.078
16857 CCS(=O)(=O)C(CCCO[CH]1CCCCO1)S(=O)(=O)CC~   12.710
16858 CCCCCCCCCCCCSC(S)=S~    3.395
16859 CCCCCCCCC1CCNCC1~    3.780
16860 CCCCN[CH](C)CC1CCCCC1~    3.780
16862 CCCC[N+]1(C)C[CH]2CCCC[CH]2C1~   12.183
16863 CCCCN(CCCC)C(=O)CC(C)C~    6.161
16864 CC(C)CN(CC(C)C)C(=O)CC(C)C~    6.161
16865 C[N+]1(CCOCC1)CCC2CCCCC2~   14.238
16868 CCCCCCCCCCC[CH](N)C(O)=O~    7.595
16869 CCCCCN(CCCCC)C(=O)OCC~    5.613
16870 CCCCN(CCCC)CCCC(=O)OC~    6.076
16873 CCCCCCCCCCOC(=O)NCCO~   10.268
16874 CCCCCCCCCCCCSC(N)=S~    3.262
16875 CC(C)C[CH](C)N([CH](C)CC(C)C)C(S)=S~    2.180
16877 CCCCOC(=N)N(CCCC)CC(C)(C)[N+]([O-])=O~   10.027
16878 C[N+](C)(C)CCC#CC[N+]1(C)CCCC1~   18.848
16881 CC(C)CN1CCN(CCCCO)C[CH]1C~   11.550
16882 C[CH]1CN(CCCCO)CCN1C(C)(C)C~   11.550
16883 CCCCCCCCCCCCNC(N)=O~    7.742
16884 CCCCNC(OCCCC)=NCCCC~    6.785
16885 CCCCCN(C)CCOC(=O)N(CC)CC~    9.162
16887 CC(C)OCCCNC(=S)NCCCOC(C)C~    8.996
16888 CCN(CC)CCOC(=O)OCCN(CC)CC~    9.078
16889 CCCCCCCCCCCCSC(N)=N~    7.262
16890 CCCCNC(=S)N(CCCC)CCCC~    4.670
16892 CCCCCC(O)(CC)CCCCC~    3.893
16895 CCCCCCCCCCCCCO~    3.893
16896 CCCCCCCCCCC[CH](C)O~    3.893
16897 CCCCCCC(OCCC)OCCC~    3.066
16898 CCCCOC(OCCCC)OCCCC~    5.120
16900 CC(C)CCOCC(O)COCCC(C)C~    8.203
16901 CCCCO[CH](C)COC[CH](C)OC[CH](C)O~   10.257
16902 CCCCCC[CH](C)C(S(=O)(=O)CC)S(=O)(=O)CC~    8.046
16904 CCCCCCCCCCCCCS~    1.106
16905 CC1CCC(CC1)C(C)(C)[N+](C)(C)C~   11.827
16906 CCCCCCCCCCC[CH](C)N~    3.644
16907 CCCCCCCCCCCCNC(N)=N~    8.936
16908 CCCCN(CCCC)CCCCCN~    7.194
16909 C[N+]1(CCCCC1)CC[N+]2(C)CCOCC2~   20.054
16910 OCCCN(CCO)CCN(CCCO)CCCO~   15.506
16912 CCN(CC)CCNC(=O)NCCN(CC)CC~   14.625
16913 CC(C)NCCCNC(=S)NCCCNC(C)C~   12.426
16915 CCN(CC)CCCNCCN(CC)CC~   10.527
16916 C[N+](C)(C)CCCC(=O)CCC[N+](C)(C)C~   20.706
16918 [O-][N+](=O)C1=CC2=C(C=C1)C3=C(C=C(C=C3C2=O)[N+]([O-])=O)[N+]([O-])=O~   13.381
16919 [O-][N+](=O)C1=CC2=C(C=C1)C3=C(C=CC=C3C2=O)[N+]([O-])=O~   10.979
16920 [O-][N+](=O)C1=CC(=C2C(=O)C3=CC=CC=C3OC2=C1)[N+]([O-])=O~   11.523
16921 [O-][N+](=O)C1=CC2=C(OC3=C(C=C(C=C3)[N+]([O-])=O)C2=O)C=C1~   11.523
16924 [O-][N+](=O)C1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O~   15.327
16925 [O-][N+](=O)C1=CC(=C(NC(=O)NC2=C(C=C(C=C2[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)C(=C1)[N+]([O-])=O)[N+]([O-])=O~   20.607
16926 [O-][N+](=O)C1=CC2=C(C=C1)C3=CC=CC=C3C2=O~    8.573
16927 [O-][N+](=O)C1=CC=C2C(=C1)OC(=O)C3=C2C=CC=C3~    7.752
16929 [O-][N+](=O)C1=CC(=C2C(=O)C3=CC=CC=C3NC2=C1)[N+]([O-])=O~   13.572
16930 O=C=NC1=CC2=C(NC3=CC=CC=C23)C=C1~    7.917
16931 OC(=O)C1=C2N=C3C=CC=CC3=NC2=CC=C1~   12.252
16933 [O-][N+](=O)C1=C(C=CC=C1)C2=NC3=CC=CC=C3S2~    9.947
16934 ON=C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+]([O-])=O~   10.401
16935 [O-][N+](=O)C1=CC2=C(C=C1)C(=O)C3=C(N2)C=CC=C3~   11.169
16936 [O-][N+](=O)C1=CC=CC2=C1NC3=CC=CC=C3C2=O~    9.830
16940 [O-][N+](=O)C1=CC2=C(C=C1)C3=C(C=CC=C3C2)[N+]([O-])=O~    8.583
16941 [O-][N+](=O)C1=CC=C(C=C1)C(=O)OC2=C(C=CC=C2)[N+]([O-])=O~    9.699
16943 [O-][N+](=O)C1=CC=C(OC(=O)OC2=CC=C(C=C2)[N+]([O-])=O)C=C1~    8.879
16944 [O-][N+](=O)C1=CC=C(O1)C=CC(=O)C=CC2=CC=C(O2)[N+]([O-])=O~   12.369
16945 OC(=O)C1=C(OC2=CC(=CC=C2)[N+]([O-])=O)C=CC(=C1)[N+]([O-])=O~   13.433
16946 N#CC(N=NC1=CC2=C(C=CC=C2)C=C1)C#N~   12.007
16947 N#CC1(C#N)C2C3CC4C2C4C3C1(C#N)C#N~   15.100
16948 [O-][N+](=O)C1=CC(=C(NC(=O)C2=CC=CC=C2)C(=C1)[N+]([O-])=O)[N+]([O-])=O~   12.355
16950 [O-][N+](=O)C1=CC(=C(CC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1)[N+]([O-])=O~   12.936
16952 O=C1C2=C(SC3=C1C=CC=C3)C=CC=C2~    7.289
16953 O=CC1=CC2=C(OC3=CC=CC=C23)C=C1~    7.105
16954 O=C1C2=C(OC3=C1C=CC=C3)C=CC=C2~    6.714
16955 OC1=CC2=C(C=C1)C3=CC=CC=C3C2=O~   10.152
16956 OC1=CC(=O)C2=C3C(=CC=C2)C=CC=C13~   10.526
16957 OC1=CC=C2C=CC=C3C=CC(=O)C1=C23~    8.896
16958 OC1=C2C(=CC=C1)C(=O)C3=C2C=CC=C3~   10.152
16959 O=C1C=C(OC2=C1C=CC=C2)C3=CC=CS3~    7.708
16960 O=C1C=C(OC2=C1C=CC=C2)C3=CC=CO3~    7.444
16962 OC(=O)C1=C2OC3=C(C=CC=C3)S(=O)(=O)C2=CC=C1~   12.303
16963 CC(=O)C1=C2OC(=O)CC2=C3C(=O)OC(=O)C3=C1C~   10.250
16964 C1=CC2=CC3=CC=CC=C3N=C2C=C1~    7.173
16965 C1=CC2=C(C=C1)C3=C(C=C2)N=CC=C3~    7.173
16966 N=C1C2=C(C=CC=C2)C3=CC=CC=C13~    5.299
16967 C1=CC2=C(C=C1)C3=C(C=CC=N3)C=C2~    7.173
16968 ON=C1C2=C(C=CC=C2)C3=CC=CC=C13~    7.996
16969 O=C1C2=C(NC3=C1C=CC=C3)C=CC=C2~    8.764
16970 O=C=NC1=C(C=CC=C1)C2=CC=CC=C2~    4.747
16973 NC1=CC2=C(C=C1)C3=CC=CC=C3C2=O~    9.622
16975 NC1=C2C(=CC=C1)C(=O)C3=C2C=CC=C3~    9.622
16976 O1C2=C(C=CC=C2)N=C1C3=CC=CC=C3~    7.278
16977 NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C23~    9.622
16978 OC1=C2C=CC=CC2=C3C=CC=CC3=N1~   11.156
16979 OC1=C(C=CC=C1)C2=NC3=CC=CC=C3S2~   11.524
16980 OC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2~   11.524
16981 [O-][N+](=O)C1=CC2=C(CC3=C2C=CC=C3)C=C1~    6.180
16982 [O-][N+](=O)C1=CC2=C(C=C1)C3=CC=CC=C3C2~    6.180
16983 OC1=C(C=CC=C1)C2=NC3=CC=CC=C3O2~   11.260
16985 OC(=O)C1=C2NC3=CC=CC=C3C2=CC=C1~   11.133
16987 O[CH]1C2=CC=CC=C2C3=C1C=C(C=C3)[N+]([O-])=O~   10.618
16988 [O-][N+](=O)C1=CC=CC(=C1)C(=O)C2=CC=CC=C2~    8.116
16989 ON=C1C2=C(C=CC=C2)S(=O)(=O)C3=CC=CC=C13~   11.218
16990 OC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[N+]([O-])=O~    8.599
16994 O=C1CC[CH](N2C(=O)C3=C(C=CC=C3)C2=O)C(=O)O1~    9.896
16995 OC1=CC=C(OC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1~   11.278
16996 OC(=O)C1=C(OC2=CC(=CC=C2)[N+]([O-])=O)C=CC=C1~   11.029
16999 S1C2=C(C=CC=C2)N=C1C3=CC=CC=C3~    7.542
17000 S=C1NC2=C(C=CC=C2S1)C3=CC=CC=C3~    6.031
17001 S=C1NC2=C(SC3=C1C=CC=C3)C=CC=C2~    8.243
17002 N#C[CH](C=CC1=CC=CC=C1)C(C#N)C#N~   12.387
17003 C1=CC=C(C=C1)C2=NN=C3C=CC=CC3=N2~    8.051
17005 N=C1NC(=O)C(S1)=CC2=C3C=CC=CC3=NC=C2~   16.578
17006 [O-][N+](=O)C1=CC=C(NC2=NC3=CC=CC=C3S2)C=C1~   12.541
17008 OC(=O)C1=CC(=CC=C1O)N=NC2=CC=C(C=C2)[N+]([O-])=O~   12.815
17009 OC(=O)C1=CC(=CC=C1O)N=NC2=CC(=CC=C2)[N+]([O-])=O~   12.815
17012 [O-][N+](=O)C1=CC=C(NC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1~   13.721
17014 CC1=C(OC2=C(C=C(C=C2[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)C=CC=C1~   11.097
17015 OC(=O)C1=C(O)C=CC(=C1)N=NC2=C(C=C(C=C2)[N+]([O-])=O)S(O)(=O)=O~   19.146
17017 [O-][N+](=O)C1=CC=C(O1)C=NNC2=C(S)N=C3C=CC=CC3=N2~   12.491
17018 [O-][N+](=O)C1=CC(=C(NN=CC2=C(C=CC=C2)[N+]([O-])=O)C=C1)[N+]([O-])=O~   12.257
17019 [O-][N+](=O)C1=CC=CC(=C1)C=NNC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O~   12.257
17020 [O-][N+](=O)C1=CC=C(C=C1)C=NNC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O~   12.257
17022 C1=CC2=CC3=C(C=CC=C3)C=C2C=C1~    4.290
17024 C1=CC2=C(C=C1)N=C(C=C2)C3=CC=CN=C3~   10.160
17025 NC1(C#N)C2=C(C=CC=C2)C3=CC=CC=C13~   11.146
17026 N=C1C2=C(C=CC=C2)N=C1C3=CC=CC=C3~    5.842
17027 N#CC(=NC1=CC=CC=C1)C2=CC=CC=C2~    3.569
17028 OC1=C2C=CC=CC2=C(N=N1)C3=CC=CC=C3~   11.650
17029 [N-]=[N+]=C(C1=CC=CC=C1)C(=O)C2=CC=CC=C2~    5.141
17030 O=C1N(N=CC2=C1C=CC=C2)C3=CC=CC=C3~    7.951
17031 NC(=O)C1=C2C=CC=CC2=NC3=C1C=CC=C3~   13.559
17033 OS(=O)(=O)C1=C(C=CC2=C(C=C(C=C2)[N+]([O-])=O)S(O)(=O)=O)C=CC(=C1)[N+]([O-])=O~   21.377
17035 NC1=CC(=C(O)C2=C1C(=O)C3=C(C(=CC(=C3O)S(O)(=O)=O)N)C2=O)S(O)(=O)=O~   29.827
17036 NC1=CC=CC2=C1C(=O)C3=C(C(=CC=C3)N)C2=O~   15.401
17038 NC1=CC=CC2=C1C(=O)C3=C(C=CC=C3N)C2=O~   15.401
17040 O=C1NN(C(=O)C2=C1C=CC=C2)C3=CC=CC=C3~    9.658
17041 OC1=C(C2=CC=CC=C2)C(=O)N3C=CC=CC3=N1~   12.411
17044 NC1=C(N)C2=C(C=C1)C(=O)C3=C(C=CC=C3)C2=O~   15.401
17046 CC1=CC=C(S1)C=C(C#N)C2=CC=C(C=C2)[N+]([O-])=O~    9.185
17052 [O-][N+](=O)C1=CC=C(C=CC2=CC=C(C=C2)[N+]([O-])=O)C=C1~    8.714
17053 [O-][N+](=O)C1=C(C=CC=C1)C=CC2=C(C=CC=C2)[N+]([O-])=O~    8.714
17054 CC(=O)NC1=CC2=C(C=C1[N+]([O-])=O)C3=CC=CC=C3O2~   11.391
17055 OC(=O)C1=CC=C(NC(=O)C2=CC(=CC=C2)[N+]([O-])=O)C=C1~   16.013
17058 OC(=O)C1=C(C=CC=C1)C(=O)NC2=C(C=CC=C2)[N+]([O-])=O~   14.674
17061 OS(=O)(=O)C1=C(C=O)C=CC(=C1)N=NC2=CC(=C(C=O)C=C2)S(O)(=O)=O~   22.701
17062 S1N=NC(=C1C2=CC=CC=C2)C3=CC=CC=C3~    6.987
17064 OC1=CC=C(C=C1)C=NNC2=NC3=CC=C(C=C3S2)[N+]([O-])=O~   16.932
17066 [O-][N+](=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)[N+]([O-])=O~   15.836
17067 [O-][N+](=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)[N+]([O-])=O~   15.836
17068 N1C(=NC2=CC=CC=C12)SSC3=NC4=CC=CC=C4N3~   12.650
17069 OC1=C(N=NC2=CC3=C(NN=C3)C=C2)C4=C(NN=C4)C=C1~   17.164
17070 OC1=C2NN=CC2=C(C=C1)N=NC3=C4NN=CC4=CC=C3~   17.164
17071 O=C1C2=C(CC3=C1C=CC=C3)C=CC=C2~    6.105
17073 OC1=C2C=C3C=CC=CC3=CC2=CC=C1~    8.272
17074 OC1=CC2=C3C=CC=CC3=CC=C2C=C1~    8.272
17076 OC1=C2C=CC3=C(C=CC=C3)C2=CC=C1~    8.272
17077 OC1=C2C=CC=CC2=C3C=CC=CC3=C1~    8.272
17080 O=C(C1=CC=CC=C1)C(=O)C2=CC=CC=C2~    8.112
17081 O=C1O[CH](C2=CC=CC=C2)C3=C1C=CC=C3~    5.987
17082 OC(=O)C1C2=C(C=CC=C2)C3=CC=CC=C13~    8.907
17083 CC1=CC2=C(OC3=C(C=CC=C3)C2=O)C=C1~    6.672
17084 CC1=CC=CC2=C1OC3=C(C=CC=C3)C2=O~    6.672
17085 OC1=CC2=C(C=C1)C(=O)C3=C(C2)C=CC=C3~   10.088
17086 O=C1OC2=CC=CC=C2[CH]1C3=CC=CC=C3~    5.717
17087 OC1=CC2=C(CC3=C(C=CC=C3)C2=O)C=C1~   10.088
17089 COC1=C2C(=CC=C1)C(=O)C3=C2C=CC=C3~    7.397
17090 O=S(=O)(C#CC1=CC=CC=C1)C2=CC=CC=C2~    7.069
17091 O=C(SC(=O)C1=CC=CC=C1)C2=CC=CC=C2~    6.712
17093 O=CC1=CC=C(OC(=O)C2=CC=CC=C2)C=C1~    7.495
17094 CC1=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C(C)O1~    8.413
17098 OC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2~   10.408
17099 O=C(OC(=O)C1=CC=CC=C1)C2=CC=CC=C2~    5.854
17100 COC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC=C3~    7.943
17101 OC1=CC=CC2=C1C(=O)C3=C(C2)C=CC=C3O~    7.870
17102 OS(=O)(=O)C1=CC2=C3C=CC=CC3=CC=C2C=C1~   10.620
17104 OS(=O)(=O)C1=CC2=C(C=C1)C3=C(C=CC=C3)C=C2~   10.620
17106 O=C(OOC(=O)C1=CC=CC=C1)C2=CC=CC=C2~    5.451
17107 OC(=O)C1=C(C=CC=C1)C2=C(C=CC=C2)C(O)=O~   12.775
17110 O=C(OC1=CC2=C(OCO2)C=C1)C3=CC=CC=C3~    7.827
17111 OC1=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C(O)CC1~   12.644
17112 OC(=O)C1(O)C2=C(OC3=C1C=CC=C3)C=CC=C2~   10.257
17114 OC(=O)C1=C(SSC2=C(C=CC=C2)C(O)=O)C=CC=C1~   13.708
17115 CC1=C2C=C(O)C(=O)C=C2OC3=C1C=C(O)C(=C3)O~   14.893
17117 OC(=O)C1=C(C=CC=C1)C(=O)C2=C(O)C=CC(=C2)O~   15.273
17118 OC(=O)C1=CC=C(OC2=CC=C(C=C2)C(O)=O)C=C1~   13.321
17119 OC(=O)C1=C(OC(=O)C2=C(O)C=CC=C2)C=CC=C1~   10.471
17120 OC(=O)C1=C(C=CC=C1)C(=O)C2=C(O)C=C(O)C=C2~   15.273
17121 OC1=CC(=C(C=C1)C(=O)C(=O)C2=C(O)C=C(O)C=C2)O~   17.842
17122 OC1=C2C(=O)C3=C(C(=CC=C3O)O)C(=O)C2=C(O)CC1~   14.410
17123 OC1=CC=C(O)C2=C1C(=C3C(=CC=C(O)C3=C2O)O)O~   28.186
17125 OC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(O)=O~   15.996
17126 OC1=C(C=O)C=C(C=C1)S(=O)(=O)C2=CC(=C(O)C=C2)C=O~   13.575
17127 S(C#CC1=CC=CC=C1)C2=CC=CC=C2~    4.971
17128 N#CC(C1=CC=CC=C1)C2=CC=CC=C2~    6.701
17129 CC1=C2C=CC=CC2=NC3=C1C=CC=C3~    7.130
17130 NC1=CC2=C3C=CC=CC3=CC=C2C=C1~    7.742
17131 NC1=C2C=CC=CC2=C3C=CC=CC3=C1~    7.742
17133 CC1=CC2=C(C=C1)N=C3C=CC=CC3=C2~    7.130
17135 CC1=NC2=C(C=C1)C3=C(C=CC=C3)C=C2~    7.130
17136 O=C(C=CC1=CN=CC=C1)C2=CC=CC=C2~    9.519
17138 O=C(C=CC1=CC=CC=C1)C2=CC=CC=N2~    9.519
17139 O=C(C=CC1=NC=CC=C1)C2=CC=CC=C2~    9.519
17140 CN1C2=C(C=CC=C2)C(=O)C3=C1C=CC=C3~    7.453
17141 CNC1=CC2=C(C=C1)C3=CC=CC=C3C2=O~    9.280
17143 CC(=O)C1=CC2=C(NC3=CC=CC=C23)C=C1~    9.291
17144 O=C(C=CC1=CC=CC=C1)C2=CC=NC=C2~    9.519
17145 O=C(C=CC1=CC=CC=C1)C2=CC=CN=C2~    9.519
17146 O=CNC1C2=C(C=CC=C2)C3=CC=CC=C13~   10.117
17147 CC(=O)N1C2=C(SC3=C1C=CC=C3)C=CC=C2~    9.076
17148 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2~    8.770
17149 COC1=C(C=CC=C1)C2=NC3=CC=CC=C3S2~    8.770
17150 O=C1NC2=CC=CC=C2S[CH]1C3=CC=CC=C3~   11.317
17153 COC1=CC2=C(NC3=C(C=CC=C3)C2=O)C=C1~    9.991
17154 [O-][N+](=O)C1=CC2=C(C=C1)C3=C(CC2)C=CC=C3~    6.057
17155 NCC(=O)C1=CC2=C(OC3=CC=CC=C23)C=C1~    9.928
17157 COC1=CC=CC2=C1C(=O)C3=C(N2)C=CC=C3~    9.991
17158 O[C]1(C(=O)NC2=C1C=CC=C2)C3=CC=CC=C3~   10.545
17159 COC(=O)N1C2=C(C=CC=C2)C3=CC=CC=C13~    7.407
17160 NC1(C(O)=O)C2=C(C=CC=C2)C3=CC=CC=C13~   11.593
17162 O=C(CC(=O)C1=CC=NC=C1)C2=CC=CC=C2~   11.767
17163 O=C(CC(=O)C1=CC=CN=C1)C2=CC=CC=C2~   11.767
17164 O=C(CC(=O)C1=CC=CC=N1)C2=CC=CC=C2~   11.767
17165 OC1=C(C=CC=C1)C(=O)C=CC2=NC=CC=C2~   10.401
17166 OC1=C(C=CC=C1)C(=O)C=CC2=CN=CC=C2~   10.401
17168 CC(=O)N1C2=C(C=CC=C2)S(=O)C3=C1C=CC=C3~   13.276
17169 COC1=CC=CC(=C1O)C2=NC3=CC=CC=C3S2~   12.752
17170 CN1C2=CC=CC=C2SC3=C1C=CC=C3C(O)=O~   10.939
17172 OC(=O)C1=C(NC(=O)C2=CC=CC=C2)C=CC=C1~   13.609
17173 O=CC1=CC=CC(=C1)OC(=O)NC2=CC=CC=C2~   10.697
17175 OCCN1C(=O)C2=C3C(=CC=C2)C=CC=C3C1=O~   12.975
17179 OC(=O)C1=C(C=CC=C1)N=CC2=C(O)C=CC=C2~   12.686
17180 [O-][N+](=O)C1=CC=C(CC(=O)C2=CC=CC=C2)C=C1~    8.506
17181 NC1=CC=CC(=C1)C(=O)C2=C(C=CC=C2)C(O)=O~   13.860
17182 OC(=O)C=CC(=O)NC1=C2C=CC=CC2=CC=C1~   14.827
17183 CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[N+]([O-])=O~    8.527
17184 OCCN1C(=O)C2=C(C=C3C=CC=CC3=C2)C1=O~   12.975
17186 OC1=C(C=CC=C1)C(=O)CC(=O)C2=CC=NC=C2~   12.650
17189 CC1=C(OC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=CC=C1~    7.253
17190 OC(=O)C1=C(NC2=C(C=CC=C2)C(O)=O)C=CC=C1~   15.372
17191 [O-][N+](=O)C1=CC=C(CC(=O)OC2=CC=CC=C2)C=C1~    7.686
17192 CC(=O)C1=CC=C(OC2=CC=C(C=C2)[N+]([O-])=O)C=C1~    9.073
17193 OC(=O)C1=CC=C(NC(=O)C2=C(O)C=CC=C2)C=C1~   14.492
17195 OC(=O)C1=C(OCC2=CC=CC=C2)C=C(C=C1)[N+]([O-])=O~   11.690
17197 C(C1=NC2=CC=CC=C2S1)C3=CC=CC=C3~    7.478
17198 N#CCC1=CC=C(SC2=CC=CC=C2)C=C1~    7.842
17199 N#CC(NC1=CC=CC=C1)=NC2=CC=CC=C2~    6.721
17200 OC1=C(C=CC=C1)C=NNC2=NC3=CC=CC=C3S2~   14.527
17201 C[C]1([CH](C#N)C(=O)NC(=O)[CH]1C#N)C2=CC=CC=C2~   15.208
17202 NC(=N)S[CH]1C2=CC=CC=C2C3=C1C=C(C=C3)[N+]([O-])=O~   13.664
17203 OC1=CC(=C(C=C1)C=NNC2=NC3=CC=CC=C3S2)O~   18.510
17204 O=C(NN=CC1=CC2=C(OCO2)C=C1)C3=CC=NC=C3~   15.138
17205 CC1=CC(=C(C=C1)N=NC2=CC(=C(O)C=C2)C(O)=O)[N+]([O-])=O~   12.772
17206 CN1C=NC(=C1S(=O)(=O)OC2=C3C=CC=CC3=CC=C2)[N+]([O-])=O~   11.767
17207 COC1=C(NC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=CC(=C1)[N+]([O-])=O~   14.947
17209 CC(=O)NC1=C(C=CC=C1)S(=O)(=O)C2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O~   17.352
17210 NC(=O)C1=C(N=CN1)N=NC2=C(O)C=CC3=C2C=CC=C3~   19.369
17211 NC1=NC(=C2N=C(COC3=CC=C(C=C3)C(O)=O)C=NC2=N1)O~   20.712
17212 C1=CC=C(C=C1)C=CC2=CC=CC=C2~    3.907
17214 C1C2=CC=CC=C2CC3=C1C=CC=C3~    3.712
17216 CC1=NC2=C3N=C(C)C=CC3=CC=C2C=C1~    9.971
17217 CC1=C2C=CC3=C(N=CC=C3C)C2=NC=C1~    9.971
17219 CC1=CC=CC2=C(N)C3=C(C=CC=C3)N=C12~   10.582
17220 NC1=CC(=CC=C1)C2=CC3=CC=CC=C3N2~   10.620
17221 C=NC1=CC=C(C=C1)C2=CC=C(C=C2)N=C~    4.674
17222 NC1=CC=C(C=C1)C(=O)C=CC2=NC=CC=C2~   12.971
17226 NN=C(C1=CC=CC=C1)C(=O)C2=CC=CC=C2~    8.703
17227 O[CH](C1=NC2=CC=CC=C2N1)C3=CC=CC=C3~   11.924
17228 CC1=CC2=C(NC(=N2)C3=C(O)C=CC=C3)C=C1~   11.491
17230 O=C1NN[CH](C2=CC=CC=C2)C3=C1C=CC=C3~   12.221
17231 O=C(NN=CC1=CC=CC=C1)C2=CC=CC=C2~    9.321
17232 COC1=CC=C(NC2=NC3=CC=CC=C3S2)C=C1~   11.366
17233 O=C(NC(=S)NC1=CC=CC=C1)C2=CC=CC=C2~   10.253
17237 OC1=C(C=CC=C1)C=NN=CC2=C(O)C=CC=C2~   12.380
17238 OC(=O)C(=NNC1=CC=CC=C1)C2=CC=CC=C2~   10.215
17239 O=C(NNC(=O)C1=CC=CC=C1)C2=CC=CC=C2~   11.026
17241 ON=C(C1=CC=CC=C1)C(=NO)C2=CC=CC=C2~   11.638
17243 OC(=O)C1=C(NN=CC2=CC=CC=C2)C=CC=C1~   11.082
17244 CCC1=C2C(=CC=C1)NC3=C2C=CC(=C3)[N+]([O-])=O~    8.674
17247 CCN1C2=CC=CC=C2C3=C1C=CC(=C3)[N+]([O-])=O~    7.406
17248 NC1=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C(N)CC1~   15.907
17249 OC1=CC=C(C=C1)C=NN=CC2=CC=C(O)C=C2~   12.380
17252 OC1=CC=C(NC(=S)NC(=O)C2=CC=CC=C2)C=C1~   14.235
17253 O=C(OC1=C2C=CC=CC2=CC=C1)SC3=NCCN3~   10.281
17254 C=NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N=C~    7.893
17255 OC(=O)C1=C(NC(=O)NC2=CC=CC=C2)C=CC=C1~   14.650
17256 CC(=O)NC1=CC=C(C=C1[N+]([O-])=O)C2=CC=CC=C2~   10.388
17257 COC1=CC=C(C=C1)N=CC2=CC=C(C=C2)[N+]([O-])=O~    7.638
17258 CC1=CC=C(NC(=O)C2=CC(=CC=C2)[N+]([O-])=O)C=C1~   11.274
17260 CC(=O)NC1=CC(=NC(C)=O)C2=C(C=CC=C2)C1=O~   11.196
17261 OC(=O)C1=CC=C(NC(=O)NC2=CC=CC=C2)C=C1~   14.650
17262 NC(=O)C1=CC=C(OC2=CC=C(C=C2)C(N)=O)C=C1~   13.502
17263 [O-][N+](=O)C1=C2OCN(CC2=CC=C1)C3=CC=CC=C3~    7.971
17264 CC1=CC=C2N=C(SC2=C1)C3=CC=C(N)C(=C3)S(O)(=O)=O~   17.281
17265 CC1=CC=C2N=C(SC2=C1S(O)(=O)=O)C3=CC=C(N)C=C3~   17.281
17266 [O-][N+](=O)C1=CC=C(CCC2=CC=C(C=C2)[N+]([O-])=O)C=C1~    8.003
17269 [O-][N+](=O)C1=CC=C(CSCC2=CC=C(C=C2)[N+]([O-])=O)C=C1~   10.099
17271 CC1=CC(=O)[CH](C(C)=NC2=C(C=CC=C2)[N+]([O-])=O)C(=O)O1~   10.529
17272 CC1=CC=C(OC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1C~    8.652
17273 CC(=O)C1=CC=C(NS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1~   11.777
17275 NC1=CC(=C(C=C1O)C2=C(C=C(N)C(=C2)O)C(O)=O)C(O)=O~   27.644
17277 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C)C=C2[N+]([O-])=O)[N+]([O-])=O~   11.248
17278 NC1=CC(=C(C=C1)C=CC2=C(C=C(C=C2)[N+]([O-])=O)S(O)(=O)=O)S(O)(=O)=O~   22.425
17279 NC(=S)NC1=CC2=C(C=C1)C3=CC=CC=C3C2~    8.567
17280 CC1=CC=C2N=C(SC2=C1)C3=CC=C(N)C=C3~   10.951
17282 S=C1SC2=C(C=CC=C2)N1CNC3=CC=CC=C3~    5.351
17283 C(CC1=CC=CC=N1)SC2=NC3=CC=CC=C3S2~   11.815
17284 SC(=S)N(N(C(S)=S)C1=CC=CC=C1)C2=CC=CC=C2~    3.682
17285 NN1C(=NN=C1C2=CC=CC=C2)C3=CC=CC=C3~   10.914
17286 S[CH]1N=C(N2[CH](S)N=C(N12)C3=CC=CC=C3)C4=CC=CO4~    4.542
17287 COC1=CC(=CC=C1[N+]#N)C2=CC=C([N+]#N)C(=C2)OC~    7.810
17288 NC1=CC=C(N)C2=C1C(=O)C3=C(C(=CC=C3N)N)C2=O~   22.305
17289 [O-][N+](=O)C1=CC=C(NN=CC=CC2=CC=CC=C2)N=C1~   11.810
17290 [O-][N+](=O)C1=C(C=CC=C1)[CH]2CN=NN2C3=CC=CC=C3~    9.153
17291 [O-][N+](=O)C1=CC=C(C=C1)N2N=NC[CH]2C3=CC=CC=C3~    9.153
17292 [O-][N+](=O)C1=CC=C(C=C1)[CH]2CN=NN2C3=CC=CC=C3~    9.153
17293 NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(C=CC=C3)N=C2~   14.362
17294 CC1=CC2=C(C=C1C)N(CC=O)C3=NC(=O)NC(=O)C3=N2~   11.924
17295 CC(=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C2=CC=CC=C2~    9.730
17296 OC(=O)C1=C(O)C=C(NC(=S)NNC(=O)C2=CC=NC=C2)C=C1~   21.094
17297 CN1C=NC(=C1S(=O)(=O)NC2=C3C=CC=CC3=CC=C2)[N+]([O-])=O~   11.876
17298 C(SC1=C2N=CNC2=NC=N1)C=CC3=CC=CC=C3~   10.879
17300 CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2~    6.123
17303 O=C(CC1=CC=CC=C1)C2=CC=CC=C2~    6.101
17304 CC1=CC2=C(OC3=CC=CC=C3C2)C=C1~    4.279
17306 O=CC(C1=CC=CC=C1)C2=CC=CC=C2~    6.355
17309 CC1(O)C2=C(C=CC=C2)C3=CC=CC=C13~    8.090
17311 OC1=CC=C(C=C1)C=CC2=CC=CC=C2~    7.889
17312 CC1=CC=C(S1)C(=O)C=CC2=CC=CC=C2~    6.857
17313 CC1=CC2=C(SC3=C(C=C(C)C=C3)S2=O)C=C1~   10.195
17314 CC(=O)C1=CC=CC2=C(C=CC=C12)C(C)=O~    8.759
17316 CC1=C(O)C=CC(=C1)C(=O)C2=CC=CC=C2~    9.652
17317 O=C1C2=C(CCCC2)C(=O)C3=C1C=CC=C3~    8.425
17318 CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2~    4.848
17321 OC1=CC=C(C=C1)C=CC2=CC=C(O)C=C2~   11.873
17322 CC1=C(OC(=O)C2=CC=CC=C2)C=CC=C1~    4.848
17325 O=C(OCC1=CC=CC=C1)C2=CC=CC=C2~    5.553
17326 O[CH](C1=CC=CC=C1)C(=O)C2=CC=CC=C2~    6.907
17327 OC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~    8.447
17329 OC(=O)CC1=C2C=CC=C3CCC(=C23)C=C1~    6.305
17330 OC(=O)CC1=CC=C(C=C1)C2=CC=CC=C2~    8.469
17331 COC(=O)C1=CC=C(C=C1)C2=CC=CC=C2~    5.573
17332 O=CC1=CC(=CC=C1)OCC2=CC=CC=C2~    7.193
17333 CC1=CC=C(C=C1)C2=C(C=CC=C2)C(O)=O~    8.037
17334 O=CC1=CC=C(OCC2=CC=CC=C2)C=C1~    7.193
17335 CC(=O)OC1=C(C=CC=C1)C2=CC=CC=C2~    5.303
17336 CC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1~    6.668
17337 CC(=O)CC(=O)C1=CC2=C(C=CC=C2)C=C1~    9.191
17341 OC(=O)COC1=C(C=CC=C1)C2=CC=CC=C2~    8.889
17342 OC(=O)CCC(=O)C1=CC2=C(C=CC=C2)C=C1~   11.025
17344 COC1=C(OC(=O)C2=CC=CC=C2)C=CC=C1~    6.120
17345 OC1=C(C=CC=C1)C(=O)OCC2=CC=CC=C2~    6.435
17346 COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O~    7.824
17348 OC1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2~    9.535
17349 OC(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1~    9.286
17350 O[CH](C(O)=O)C1=CC=C(C=C1)C2=CC=CC=C2~    9.276
17352 CC(C)=CC1=C(O)C(=O)C2=C(C=CC=C2)C1=O~    8.121
17353 OC(=O)[CH](C1=CC=CC=C1)C2=C(O)C=CC=C2~   12.431
17355 CCOC1=CC=C(C=C1)C2=CC(=O)C=CC2=O~   11.368
17356 CC1=CC=CC(=C1)OC2=C(C=CC=C2)C(O)=O~    8.582
17357 O=C1OC(=O)[CH]2CC(=CC[CH]12)C3=CC=CC=C3~    6.072
17358 O[CH](C1=CC=CC=C1)C2=CC=C(C=C2)C(O)=O~   12.452
17359 OC(=O)CC1=CC=C(OC2=CC=CC=C2)C=C1~    9.015
17360 CC(=O)C1=CC2=CC=CC(=C2OC1=O)CC=C~    8.371
17362 O=C(CS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2~    9.780
17363 OC(=O)C(OC1=CC=CC=C1)OC2=CC=CC=C2~   10.139
17364 CC(=O)OC1=C2C=CC=C(OC(C)=O)C2=CC=C1~    7.119
17366 CC(=O)OC1=C2C=CC=CC2=C(OC(C)=O)C=C1~    7.119
17367 COC1=CC=C(OC2=C(C=CC=C2)C(O)=O)C=C1~    9.854
17368 CC(=O)OC1=CC=C2C=CC=CC2=C1OC(C)=O~    7.119
17369 CC1=CC=C(C=C1)S(=O)(=O)C2=CC(=CC=C2)C(O)=O~   11.256
17374 COC1=CC=CC(=C1OS(=O)(=O)C2=CC=CC=C2)C=O~   10.358
17375 COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(O)=O~   12.527
17378 CC(=CC1=CC=CC=C1)C2=CC=CC=N2~    6.595
17379 CC(=CC1=CC=CC=C1)C2=CC=NC=C2~    6.595
17380 CC1=CC(=C2C(=C1)NC3=C2C=CC=C3)C~    6.351
17381 CNC1=CC2=C(C=C1)C3=CC=CC=C3C2~    6.886
17382 C1N(CC2=CC=CC=C12)C3=CC=CC=C3~    5.597
17383 CC1(N)C2=C(C=CC=C2)C3=CC=CC=C13~    7.640
17384 NC1=CC=C(C=C1)C=CC2=CC=CC=C2~    7.360
17385 CC1=NC(=CC=C1)C=CC2=CC=CC=C2~    6.747
17386 C(N=CC1=CC=CC=C1)C2=CC=CC=C2~    4.500
17387 N1[CH]([CH]1C2=CC=CC=C2)C3=CC=CC=C3~    7.321
17390 CC(=O)NC1=C(C=CC=C1)C2=CC=CC=C2~    9.324
17392 CNC1=CC2=C(C=C1)C3=CC=CC=C3[CH]2O~   11.323
17393 O=C(CC1=CC=CC=C1)NC2=CC=CC=C2~    9.303
17395 CC1=C(NC(=O)C2=CC=CC=C2)C=CC=C1~    8.870
17397 OCCN1C2=C(C=CC=C2)C3=CC=CC=C13~    9.439
17398 CC1=C(C=CC=C1)C(=O)NC2=CC=CC=C2~    8.870
17399 NC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~   10.137
17401 N[CH](C1=CC=CC=C1)C(=O)C2=CC=CC=C2~    8.788
17405 C[CH](C1=CC=NC=C1)C(=O)C2=CC=CC=C2~    8.860
17406 CC1=CC=CC(=N1)CC(=O)C2=CC=CC=C2~    8.943
17407 CC(=O)[CH](C1=CC=CC=C1)C2=CC=CC=N2~    9.374
17409 C[C]1(NC2=CC=CC=C2S1)C3=C(O)C=CC=C3~    9.676
17411 O[CH](CC(=O)C1=CC=CC=C1)C2=CC=NC=C2~   13.298
17412 COC1=CC=C(C=C1)C=NC2=C(O)C=CC=C2~    9.218
17413 COC1=C(C=CC=C1)C=NC2=CC=C(O)C=C2~    9.218
17414 COC1=C(NC(=O)C2=CC=CC=C2)C=CC=C1~   10.141
17415 OC(=O)[CH](NC1=CC=CC=C1)C2=CC=CC=C2~   10.300
17417 OCC1=C(NC(=O)C2=CC=CC=C2)C=CC=C1~   13.307
17421 CN(C1=CC=C(O)C=C1)C(=O)C2=CC=CC=C2~   11.585
17422 NC1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2~    9.004
17423 NC(C(O)=O)(C1=CC=CC=C1)C2=CC=CC=C2~   11.135
17424 CC(=NO)C1=CC=C(OC2=CC=CC=C2)C=C1~    7.983
17425 CC(=O)NC1=CC=C(OC2=CC=CC=C2)C=C1~    9.870
17428 ONC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~   12.836
17430 CC(=O)CC(=O)NC1=C2C=CC=CC2=CC=C1~   12.393
17431 OC(=O)CCC(=O)NC1=CC2=C(C=CC=C2)C=C1~   14.225
17433 COC1=CC=C(NC(=O)OC2=CC=CC=C2)C=C1~    9.321
17434 OC(=O)CNC(=O)CC1=C2C=CC=CC2=CC=C1~   13.542
17435 CC1=C(C[CH]2CC(=O)OC2=O)C3=C(N1)C=CC=C3~    9.514
17436 O[CH](CC(=O)C1=C(O)C=CC=C1)C2=CC=NC=C2~   14.181
17437 COC1=C(SC2=CC=C(C=C2)[N+]([O-])=O)C=C(C)C=C1~    8.093
17438 O=C(NCC1=CC=CO1)[CH]2COC3=C(O2)C=CC=C3~   11.801
17439 COC(=O)C=C(C(=O)OC)C1=CNC2=C1C=CC=C2~   11.991
17440 COC1=C(OC2=CC=C(C=C2)[N+]([O-])=O)C=CC(=C1)C~    7.519
17441 OC(=O)C1=CC=C(NS(=O)(=O)CC2=CC=CC=C2)C=C1~   11.724
17442 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC=C2)C(O)=O~   11.287
17443 COC1=C(C=C(C)C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O~   10.192
17444 COC(=O)[CH](CCC(O)=O)N1C(=O)C2=CC=CC=C2C1=O~   13.854
17446 [O-][N+](=O)C1=C(C=CC(=C1)C(=O)OCC=C)C(=O)OCC=C~    8.818
17447 CCN1C2=C(SC3=C1C=CC=C3)C=CC=C2~    6.121
17448 S=C(CC1=CC=CC=C1)NC2=CC=CC=C2~    6.542
17449 S=C(NCC1=CC=CC=C1)C2=CC=CC=C2~    7.158
17450 C[C]1(NC2=CC=CC=C2S1)C3=CC=CC=C3~    5.693
17451 C(CC1=CC=NC=C1)N2C=NC3=CC=CC=C23~    8.959
17452 CC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2~   10.775
17453 CN1N(C2=CC=CC=C2)C(=O)C3=C1C(=CN=C3)C~   11.452
17454 CC(C=CC1=CC=CO1)=NNC(=O)C2=CC=NC=C2~   12.219
17456 CC(=NNC(=O)C1=CC=NC=C1)C2=C(O)C=CC=C2~   16.063
17457 COC1=C(C=CC=C1)C=NNC(=O)C2=CC=NC=C2~   13.432
17458 COC1=C(O)C=CC(=C1)C=NNC(=O)C2=CC=CN=C2~   17.415
17459 COC1=C(O)C=CC(=C1)C=NNC(=O)C2=CC=NC=C2~   17.415
17460 COC1=CC=CC(=C1O)C=NNC(=O)C2=CC=NC=C2~   17.415
17461 CC1=C([CH]2CC(=O)N(C(N)=O)C2=O)C3=CC=CC=C3N1~   17.646
17462 NC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC3=C(OCO3)C=C2~   13.427
17463 CC(=NNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O)C2=CC=CC=C2~    9.321
17466 COC1=C(C=CC=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O~   10.672
17467 COC(=O)[CH](C#N)[CH](C#N)C1=C(C=C(OC)C(=C1)OC)[N+]([O-])=O~   16.350
17468 CC1=C(N)C=C(C=C1NC(=O)C2=CC(=CC=C2)[N+]([O-])=O)S(O)(=O)=O~   21.057
17470 CC1=C(C=CC=C1)C2=C(N)N=C3N=C(N)C=CC3=N2~   17.403
17471 C1CN1C2=C3N=CN(CC4=CC=CC=C4)C3=NC=N2~   11.620
17473 CC1(C)OC2=CC=C(NC3=C4N=CNC4=NC=N3)C=C2O1~   16.101
17474 OC(=O)[CH](CC1=CC=CC=C1)NC2=C3N=CNC3=NC=N2~   17.611
17477 NC1=NC2=C(N=CN2)C(=N1)SCC=CC3=CC=CC=C3~   10.780
17478 CNC(=O)C1=NC2=C(N)N=C(N=C2N=C1N)C3=CC=CC=C3~   23.873
17480 C1CCC2=C(C1)C=CC3=C2C=CC=C3~    3.303
17483 CC(NC1=CC=CC=C1)=NC2=CC=CC=C2~    7.037
17484 CNC1=CC2=C(C=C1)N(C)C3=CC=CC=C23~    8.235
17485 CCN1C2=C(C=CC=C2)C3=CC(=CC=C13)N~    8.453
17488 CC1=CC=C(C=C1)N=NC2=CC=C(C)C=C2~    4.747
17489 CC1=CC(=CC=C1)N=NC2=CC(=CC=C2)C~    4.747
17491 NC1=C(C=CC=C1)C=CC2=C(N)C=CC=C2~   10.810
17492 N#CC1CC2CC1C3C2N3C4=CC=CC=C4~    7.900
17493 C1CNC2=C(N1)C=CC(=C2)C3=CC=CC=C3~    9.959
17495 CCOC1=CC=C(C=C1)N=NC2=CC=CC=C2~    5.939
17496 O=C(CC1=CC=CC=C1)NNC2=CC=CC=C2~   11.682
17497 O=C(NCCC1=CC=CC=N1)C2=CC=CC=C2~   12.166
17500 CN(C(=O)NC1=CC=CC=C1)C2=CC=CC=C2~    8.642
17501 C1CN=C(COC2=C3C=CC=CC3=CC=C2)N1~    9.567
17503 C[C](C(N)=O)(C1=CC=CC=C1)C2=CC=CC=N2~   12.896
17505 NC1=C(C=CC=C1)C(=O)NCC2=CC=CC=C2~   12.857
17506 NC(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2~   11.282
17507 C[C]1(CC2=CC=CC3=C2C1=CC=C3)NC(N)=O~   11.389
17508 CC1=NN([CH](C1)C2=CC=CO2)C3=CC=CC=C3~    5.185
17510 C(CC1=CC=CC=C1)ON=CC2=CC=CN=C2~    7.796
17511 CC(=O)C1=CC=C(NNC2=CC=CC=C2)C=C1~   11.097
17512 CC(=O)NN(C1=CC=CC=C1)C2=CC=CC=C2~    9.876
17513 CC1=C(NC(=S)NC2=C(O)C=CC=C2)C=CC=C1~   11.258
17514 CCOC1=C(OCC)C=C(C=C1)C=C(C#N)C#N~   10.072
17516 C[N+]1=C(C=CC=C1)C=CC2=CC=CC(=C2)[N+]([O-])=O~   13.866
17518 NC(=O)C1=CC=C[N+](=C1)CC(=O)C2=CC=CC=C2~   20.085
17519 COC1=CC(=CC=C1)N=NC2=CC(=CC=C2)OC~    7.288
17521 COC1=C(C=CC=C1)N=NC2=C(OC)C=CC=C2~    7.288
17522 O=C(NC1=CC=CC=C1)OCCC2=CC=CC=N2~   11.514
17525 COC1=C(N)C=C(C=C1)C(=O)NC2=CC=CC=C2~   13.593
17526 COC1=CC=C(C=C1)N=[N+]([O-])C2=CC=C(OC)C=C2~   14.384
17527 OC(=O)C1=C2C=CC=CC2=NC(=C1)N3CCOCC3~   14.821
17528 CC(=O)NC1=CC(=C2C=CC=CC2=C1O)NC(C)=O~   15.943
17529 CC1=CC=[N+](CC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1~   16.059
17532 CC(COC(=O)C1=C2C=CC=CC2=NC(=C1)C)=NO~   12.286
17534 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(O)C=CC=C2~   10.979
17538 O=C(CN1C(=O)C2=C(C=CC=C2)C1=O)N3CCOCC3~   14.648
17539 CCOC(=O)CC1=CC(=O)NN(C1=O)C2=CC=CC=C2~   12.171
17540 OC(=O)[CH]1[CH]2O[CH](C=C2)[CH]1C(=O)NCC3=CC=CC=N3~   19.821
17541 OC(=O)[CH]1[CH]2O[CH](C=C2)[CH]1C(=O)NCC3=CC=NC=C3~   19.821
17542 COC1=CC(=C(NS(=O)(=O)C2=CC=C(C)C=C2)C=C1)[N+]([O-])=O~    8.883
17544 CSC(NC1=CC=CC=C1)=NC2=CC=CC=C2~    9.132
17545 NC(=N)SC(C1=CC=CC=C1)C2=CC=CC=C2~   10.801
17546 S=C(NCC1=CC=CC=C1)NC2=CC=CC=C2~    7.812
17547 CC1=C(NC(=S)NC2=CC=CC=C2)C=CC=C1~    7.276
17548 C=CCNC(=S)NC1=C2C=CC=CC2=CC=C1~    7.611
17549 CC1=NN(C2=CC=CC=C2)[N+](=N1)C3=CC=CC=C3~   17.050
17550 N=C(NC1=CC=CC=C1)C(=N)NC2=CC=CC=C2~   12.548
17552 NC(=N)C1=CC=C(OC2=CC=C(C=C2)C(N)=N)C=C1~   14.863
17556 CCSC1=NC(=NC2=C1N=C(SC)N2C3=CC=CC=C3)O~   17.481
17558 CN1C(=O)N(C)C2=C(N(CC3=CC=CC=C3)C=N2)C1=O~   11.539
17559 CN1C(=O)N(C)C2=C(N=C(CC3=CC=CC=C3)N2)C1=O~   12.827
17560 O=C(NNC1=CC=CC=C1)C(=O)NNC2=CC=CC=C2~   16.073
17561 CC1=CC(=C(N)C=C1N)N=NC2=CC=C(C=C2)C(O)=O~   16.389
17566 CN1C(=O)N(C)C2=C(N(C)C(=N2)OC3=CC=CC=C3)C1=O~   12.106
17568 COC1=CC=C(NC(=O)NNC(=O)C2=CC=NC=C2)C=C1~   19.379
17569 COC1=C(NC(=O)NNC(=O)C2=CC=NC=C2)C=CC=C1~   19.379
17570 CN1C(=O)N(C)C2=C(N=C(N2)[CH](O)C3=CC=CC=C3)C1=O~   17.262
17571 CCOC1=C(C=CC=C1)C=NNC2=CC=C(C=N2)[N+]([O-])=O~   12.777
17572 [O-][N+](=O)C1=CC=C(NCCNC2=CC=C(C=C2)[N+]([O-])=O)C=C1~   14.310
17574 COC1=CC=CC(=C1OC)C=NNC2=CC=C(C=N2)[N+]([O-])=O~   14.129
17575 CCOC1=C(O)C=CC(=C1)C=NNC2=CC=C(C=N2)[N+]([O-])=O~   16.762
17576 CC(=O)NC1=CC(=C(O)C=C1)N=NC2=CC=C(C=C2)S(N)(=O)=O~   18.863
17577 CC(=NNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O)C2=CC=C(N)C=C2~   12.772
17578 NC(=O)SCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2~   17.235
17579 OC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CN=CC=N2~   20.845
17580 OC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2~   17.296
17581 [O-][N+](=O)C1=CC(=CC=C1)S(=O)(=O)NCCNS(=O)(=O)C2=CC=CC(=C2)[N+]([O-])=O~   15.618
17582 CCSC1=C2C=NN(C3=CC=CC=C3)C2=NC(=N1)C~   11.928
17583 C1C[N+]2=CN=C3N=CN(CC4=CC=CC=C4)C3=C2S1~   14.438
17584 CC1=CC=C(CSC2=C3N=CNC3=NC=N2)C=C1C~   10.656
17585 C(CSC1=C2N=CNC2=NC=N1)SCC3=CC=CC=C3~   12.588
17586 CC1=CC=C(SCCN2C=NC3=C(N=CN3)C2=S)C=C1~   12.510
17587 CSC1=NC2=C(N=C(SC)N2C3=CC=CC=C3)C(=N1)SC~   13.567
17588 S=C(NNC1=CC=CC=C1)SSC(=S)NNC2=CC=CC=C2~   11.213
17589 S=C(NNC1=CC=CC=C1)SSSC(=S)NNC2=CC=CC=C2~   11.025
17590 O=C1N(CCSSCCN2C=NC3=C(N=CN3)C2=O)C=NC4=C1N=CN4~   21.710
17591 C(CCSC1=C2N=CNC2=NC=N1)CSC3=C4N=CNC4=NC=N3~   17.793
17592 CC(O)(C1=CC=CC=C1)C2=CC=CC=C2~    7.633
17593 O[CH](CC1=CC=CC=C1)C2=CC=CC=C2~    7.633
17594 COC(C1=CC=CC=C1)C2=CC=CC=C2~    5.250
17596 C[CH](C1=CC=CC=C1)C2=CC=C(O)C=C2~    7.178
17597 COC1=CC=C(CC2=CC=CC=C2)C=C1~    4.547
17598 OCC(C1=CC=CC=C1)C2=CC=CC=C2~    7.633
17599 CC1=CC=C(C=C1)[CH](O)C2=CC=CC=C2~    7.712
17601 CCOC1=CC=C(C=C1)C2=CC=CC=C2~    4.488
17603 CC1=C(C=CC=C1)[CH](O)C2=CC=CC=C2~    7.712
17606 C[S+](C)CC(=O)C1=CC2=C(C=CC=C2)C=C1~    7.706
17607 C[CH](O)C1=CC=C(SC2=CC=CC=C2)C=C1~    8.775
17608 OC(=O)CSC1=C(SCC(O)=O)C(=C(SCC(O)=O)C(=C1O)SCC(O)=O)O~   36.889
17609 OC(=O)CCCC1=CC2=C(C=CC=C2)C=C1~    8.119
17610 OC(=O)CCCC1=C2C=CC=CC2=CC=C1~    8.119
17611 CC1=CC(=CC=C1O)C2=CC=C(O)C(=C2)C~   11.263
17612 COC1=CC=C(C=C1)[CH](O)C2=CC=CC=C2~    8.983
17618 CC[CH](C(O)=O)C1=C2C=CC=CC2=CC=C1~    8.119
17620 CCCC(=O)C1=CC=C2C=CC=CC2=C1O~    6.656
17621 OC(=O)[CH]1[CH]2C[CH](C=C2)[CH]1C3=CC=CC=C3~    7.383
17623 C[CH]1CO[CH](O1)C2=C3C=CC=CC3=CC=C2~    6.633
17624 O=S(=O)(CC1=CC=CC=C1)CC2=CC=CC=C2~    7.390
17625 CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C)C=C2~    6.517
17626 CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2~    6.955
17627 OC(=O)CCCSC1=CC2=C(C=CC=C2)C=C1~    9.697
17628 CC1=CC(=C(C)C=C1)S(=O)(=O)C2=CC=CC=C2~    6.517
17629 O=C(CCC1=CC=CS1)OCC2=CC=CC=C2~    6.084
17630 COC1=CC=C(SSC2=CC=C(OC)C=C2)C=C1~    6.770
17631 CSS(=O)(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~    7.202
17632 CCOC(=O)C1=C2C=CC=CC2=CC=C1OC~    6.575
17633 CC(C)CC(=O)C1C(=O)C2=CC=CC=C2C1=O~   11.030
17636 O=C1CCCCC1=CC2=CC3=C(OCO3)C=C2~    8.780
17638 CCOC(=O)C1=C(OC)C=C2C=CC=CC2=C1~    6.575
17640 OC1=C(COCC2=C(O)C=CC=C2)C=CC=C1~   13.216
17641 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C)C=CC=C2~    6.440
17642 C[C](O)([CH](C(O)=O)C1=CC=CC=C1)C2=CC=CS2~   12.903
17643 COC1=CC=C(C=C1)S(=O)C2=CC=C(OC)C=C2~   11.159
17644 CC1=CC(=C(C=C1O)C2=C(O)C=C(C)C(=C2)O)O~   19.228
17645 C=CCOC(=O)C1=CC=C(C=C1)C(=O)OCC=C~    6.413
17646 C=CCOC(=O)C1=CC(=CC=C1)C(=O)OCC=C~    6.413
17649 CC[C](C)(OC(=O)C1=C(C=CC=C1)C(O)=O)C#C~    9.447
17650 O[CH](C(C1=CC=CC=C1)C2=CC=CC=C2)S(O)(=O)=O~   14.400
17651 COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(OC)C=C2~    9.059
17652 O[CH]([CH](C1=CC=CC=C1)S(O)(=O)=O)C2=CC=CC=C2~   14.400
17654 O=S(=O)(CCS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2~   10.553
17655 OC(=O)C(CCC1=CC=CS1)(CC2=CC=CS2)C(O)=O~   13.738
17656 OC(=O)CC[C]1(CCC(=O)C2=C1C=CC=C2)C(O)=O~   15.209
17657 C=CCOC(=O)C1=C(C=CC=C1)C(=O)OC[CH]2CO2~    9.197
17658 COC(=O)C(=O)[CH]1CCC2=C(C=CC(=C2)OC)C1=O~   11.450
17659 O=S(=O)(OCCSS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2~   10.553
17660 COC(=O)CC(=CC1=CC2=C(OCO2)C=C1)C(=O)OC~   10.745
17661 O=S(=O)(OCCOS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2~   10.932
17662 COC(=O)C(=CC=CC1=CC(=C(O)C(=C1)O)O)C(=O)OC~   20.055
17663 COC(=O)C1=C(C=C(C(=O)OC)C(=C1)C(=O)OC)C(=O)OC~   11.032
17664 C(SCC1=CC=CC=C1)C2=CC=CC=C2~    5.291
17665 CC1=CC=C(SSC2=CC=C(C)C=C2)C=C1~    4.229
17666 C(SSCC1=CC=CC=C1)C2=CC=CC=C2~    5.102
17667 C(CSC1=CC=CC=C1)SC2=CC=CC=C2~    6.352
17668 CN(CC1=CC=CC=C1)C2=CC=CC=C2~    5.161
17669 C(NCC1=CC=CC=C1)C2=CC=CC=C2~    6.967
17672 CC1=C(NCC2=CC=CC=C2)C=CC=C1~    6.429
17673 CC1=CC=C(NCC2=CC=CC=C2)C=C1~    6.429
17674 CC1=CC=CC(=C1)NCC2=CC=CC=C2~    6.429
17676 N[CH](CC1=CC=CC=C1)C2=CC=CC=C2~    7.184
17677 NCC(C1=CC=CC=C1)C2=CC=CC=C2~    7.184
17680 C[CH](C1=CC=CC=C1)C2=C(N)C=CC=C2~    6.648
17681 C(COC1=CC=CC=C1)NC2=CC=CC=C2~    7.620
17683 N[CH]([CH](O)C1=CC=CC=C1)C2=CC=CC=C2~   11.620
17684 O[CH]1CCN(C1)C2=CC3=C(C=CC=C3)C=C2~    9.623
17685 OC1=C(CNCC2=CC=CC=C2)C=CC=C1~   10.947
17686 COC1=CC=C(CNC2=CC=CC=C2)C=C1~    7.699
17687 COC1=CC=C(CCC2=CC=CC=N2)C=C1~    7.307
17688 COC1=CC=C(CCC2=CC=NC=C2)C=C1~    7.307
17689 CN1C(=CC(C=C1C)=C2C=CC(=O)C=C2)C~    7.611
17690 OCCN(C1=CC=CC=C1)C2=CC=CC=C2~    8.983
17691 NCC(O)(C1=CC=CC=C1)C2=CC=CC=C2~   11.620
17692 CC[C](O)(C1=CC=CC=C1)C2=CC=CC=N2~   10.393
17693 CC1=CC=[N+](CC(=O)C2=CC=CC=C2)C=C1~   13.656
17695 CN1C2=C(CCCC2)C(=O)C3=C1C=CC=C3~    6.963
17696 C(CC1=CC=CC=N1)OCC2=CC=CC=C2~    8.011
17697 CC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2~   13.656
17698 CC1=CC=C[N+](=C1)CC(=O)C2=CC=CC=C2~   13.656
17699 C[CH](C(=O)C1=CC=CC=C1)[N+]2=CC=CC=C2~   13.575
17700 N[CH](CC1=C(O)C=CC=C1)C2=CC=CC=C2~   11.166
17701 N[CH](CC1=CC=C(O)C=C1)C2=CC=CC=C2~   11.166
17702 CC1=C(C[CH](O)C2=CC=CC=C2)N=CC=C1~   10.472
17704 CC(C)C(=O)CC1=NC2=C(C=CC=C2)C=C1~    9.045
17705 C[C](O)(CC1=CC=CN=C1)C2=CC=CC=C2~   10.393
17707 C[CH]1N[CH](C)C2=C(O1)C3=C(C=CC=C3)C=C2~    7.043
17708 CSC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2~   15.234
17709 CC1=CC(=C(C=C1)C(=O)C[N+]2=CC=CC=C2)O~   14.538
17710 COC1=CC=CC(=C1O)CNC2=CC=CC=C2~   11.682
17711 O=C1N(C2CCCCC2)C(=O)C3=C1C=CC=C3~    7.389
17712 COC(=O)C1=C[N+](=CC=C1)CC2=CC=CC=C2~   13.107
17714 CCOC(=O)C1=C(C)NC=C1C2=CC=CC=C2~    8.182
17716 N[CH](CC1=CC=C(O)C=C1)C2=CC=C(O)C=C2~   15.149
17718 CC1=C(O)C=CC(=C1)C(=O)C[N+]2=CC=CC=C2~   17.638
17719 COC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2~   14.924
17720 N[CH](CC1=CC(=C(O)C=C1)O)C2=CC=CC=C2~   15.149
17721 N[CH]([CH](O)C1=CC=C(O)C=C1)C2=CC=CC=C2~   15.604
17722 CCOC(=O)C(C#N)=C(C)CC1=CC=CC=C1~    7.266
17723 CC(C)OC(=O)NC1=C2C=CC=CC2=CC=C1~    8.425
17726 CC1=CC=C(NS(=O)(=O)CC2=CC=CC=C2)C=C1~    6.983
17728 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2~    7.083
17732 CCOC1=C(C=CC=C1)C=C2SC(=S)N(CC)C2=O~    9.326
17733 O[CH]1CCCC[CH]1N2C(=O)C3=C(C=CC=C3)C2=O~   11.827
17734 CCOC(=O)C(O)=C(C#N)C1=C(C)C=CC(=C1)C~    7.733
17735 CCC1(CC)C(=O)N(C(=O)C1=O)C2=CC=CC=C2~    8.917
17736 CN(C)CCC(=O)C1=CC2=C(OC1=O)C=CC=C2~   11.712
17737 CCOC(=O)[CH](CCC#N)C(=O)C1=CC=CC=C1~   10.644
17738 CCOC(=O)C1=C2C=CC=CC2=NC(=C1)OCC~    8.375
17741 COC1=C(NS(=O)(=O)C2=CC=C(C)C=C2)C=CC=C1~    7.818
17742 CCOC(=O)[CH]1CN(CC2=CC=CC=C2)C(=O)C1=O~   13.618
17743 CCOC(=O)C(=CC1=CC=C(OC)C(=C1)OC)C#N~   10.368
17744 CC(C)(C)OC(=O)CN1C(=O)C2=C(C=CC=C2)C1=O~    8.604
17745 COC(OC)C1=C(C)C(=C2C=CC=CC2=N1)C(O)=O~   13.936
17746 CC1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC=C(C)C=C2~    7.201
17749 CCOC(=O)C(=CC1=C(C=CC=C1)[N+]([O-])=O)C(=O)OCC~   10.366
17751 C(CSC1=CC=CC=C1)CC2=CC=NC=C2~    7.535
17752 CC1=CC=C(CCSC2=CC=CC=C2)C=N1~    7.614
17753 CC1=C(SCCC2=CC=NC=C2)C=CC=C1~    7.614
17755 CC1=CC=C(SCCN2C=CC=CC2=S)C=C1~    7.075
17758 CN(C)N=NC1=CC=C(C=C1)C2=CC=CC=C2~    7.385
17759 CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2~    6.631
17761 CC1=C(C=CC=C1)N=NC2=CC(=C(N)C=C2)C~    8.199
17762 CN(C)C1=CC=C(C=CC2=CN=CC=N2)C=C1~    8.971
17763 CC1=C(NC(=N)NC2=CC=CC=C2)C=CC=C1~   11.105
17765 CCN1C2=C(C=C(N)C=C2)C3=CC(=CC=C13)N~   11.907
17766 CC(=O)NC1=C(C=C(N)C=C1)C2=CC=C(N)C=C2~   16.228
17767 CN(C)C1=CC=C(C=C1)C(=NO)C2=CC=NC=C2~   12.222
17768 COC1=C(N)C=CC(=C1)N=NC2=C(OC)C=CC=C2~   10.740
17769 CC(=O)NC1=CC2=C(NC(C)=O)C=C(C)N=C2C=C1~   14.801
17770 COC1=CC(=C(OC)C=C1N)N=NC2=CC=CC=C2~   10.740
17771 CC1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=C(N)C=C2~   10.449
17772 CC(=NNS(=O)(=O)C1=CC=C(N)C=C1)C2=CC=CC=C2~   10.369
17773 CCOC(=O)C1=CNC(=O)N(CC2=CC=CC=C2)C1=N~   13.770
17774 CN(C)C1=CC=C(NN=C2C(=O)OC(=O)C=C2C)C=C1~    9.474
17776 CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(O)(=O)=O~   12.963
17778 CC(=NNS(=O)(=O)C1=CC=C(N)C=C1)C2=C(O)C=CC=C2~   14.352
17779 COC1=C(C=CC=C1)C=NNS(=O)(=O)C2=CC=C(N)C=C2~   11.719
17780 NNC(=O)C1=CC=C(NS(=O)(=O)CC2=CC=CC=C2)C=C1~   15.790
17783 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC=CS2~   13.123
17784 COC1=C(O)C=CC(=C1)C=NNS(=O)(=O)C2=CC=C(N)C=C2~   15.703
17785 CC(=NNS(=O)(=O)C1=CC=C(N)C=C1)C2=C(O)C=C(O)C=C2~   18.334
17786 COC1=CC(=C(C)C=C1N)N=NC2=CC=C(C=C2)S(O)(=O)=O~   15.801
17788 CC1=CC=C(NC(=S)NNC2=CC=CC=C2)C=C1~    9.654
17789 CN1N=CC2=C1N=C(C)N=C2NCC3=CC=CC=C3~   12.541
17790 CC(C)NC1=C2C=NN(C3=CC=CC=C3)C2=NC=N1~   15.013
17791 CCNC1=C2C=NN(C3=CC=CC=C3)C2=NC(=N1)C~   15.093
17792 CN1N=CC2=C(NC3=CC=C(C)C=C3)N=C(C)N=C12~   12.005
17793 CN1N=CC2=C(NC3=C(C)C=CC=C3)N=C(C)N=C12~   12.005
17794 CN(C)C1=C2C=NN(C3=CC=CC=C3)C2=NC(=N1)C~   13.907
17795 CNC1=C2C=NN(C3=CC=C(C)C=C3)C2=NC(=N1)C~   15.173
17796 CN1N=CC2=C(NC3=C(C)C=C(C)C=C3)N=CN=C12~   12.005
17797 CN1N=CC2=C(NC3=C(C)C=CC(=C3)C)N=CN=C12~   12.005
17798 CN1N=CC2=C(NC3=C(C)C=CC=C3C)N=CN=C12~   12.005
17799 CCN(C1=CC=CC=C1)C2=C3C=NN(C)C3=NC=N2~   10.656
17800 CN1N=CC2=C1N=CN=C2NCCC3=CC=CC=C3~   12.461
17802 CN(C)C1=C2N=CN(CC3=CC=CC=C3)C2=NC=N1~   11.264
17803 CCNC1=C2N(CC3=CC=CC=C3)C=NC2=NC=N1~   12.453
17805 NC(=N)C1=CC=C(NC2=CC=C(C=C2)C(N)=N)C=C1~   16.914
17806 NC(=N)NC(=N)NC1=C(C=CC=C1)C2=CC=CC=C2~   17.173
17807 NC(=N)NC(=N)NC1=CC=C(C=C1)C2=CC=CC=C2~   17.173
17808 CC1=CC=C(CNC2=C3C=NNC3=NC=N2)C=C1C~   13.827
17810 COC1=CC=C(CNC2=NC=NC3=C2C=NN3C)C=C1~   13.812
17811 CN1C(=O)N(C)C2=C(N(CC3=CC=CC=C3)C(=N)N2)C1=O~   14.983
17812 CN1C(=O)N(C)C2=C(N=C(CC3=CC=C(N)C=C3)N2)C1=O~   16.277
17813 CN(C)C1=CC=C(C=C1)C=NNC2=CC=C(C=N2)[N+]([O-])=O~   13.471
17814 NC1=C(C=CC=C1)C2=C(C(=NC=N2)N3CCOCC3)[N+]([O-])=O~   15.128
17815 CN(C)C1=C2N=CNC2=NC(=N1)SCC3=CC=CC=C3~   12.539
17817 CC1=C(C)C=C(CSC2=NC(=NC3=C2N=CN3)N)C=C1~   10.556
17818 CN(C)C1=CC=C(C=C1)C=NNC2=C3N=CNC3=NC=N2~   15.618
17820 CC1=C(NNC2=C(C)C=CC=C2)C=CC=C1~    8.272
17822 CC1=C(C=CC(=C1)N)C2=C(C)C=C(N)C=C2~   10.201
17823 C(CNC1=CC=CC=C1)NC2=CC=CC=C2~    9.502
17826 CN1CCC(CC1)=C(C#N)C2=CC=CC=C2~    8.358
17828 CN(CCC1=CC=CC=N1)C2=CC=CC=C2~    7.921
17830 NC(=O)C1=C[N+](=CC=C1)CCC2=CC=CC=C2~   17.178
17831 NC1=CC=C(CCOC2=CC=C(N)C=C2)C=C1~   11.370
17833 COC1=CC(=CC=C1N)C2=CC=C(N)C(=C2)OC~   12.742
17834 CCN1C=C(C(=O)C(=O)N(C)C)C2=C1C=CC=C2~   12.703
17835 O=C1NC(=O)[C]2(CCC[CH]2CC3=CC=CC=C3)N1~    9.638
17836 COC1=CC=C(C=C1)C(C[N+]2=CC=CC=C2)=NO~   16.242
17837 C[CH]1CN1C(=O)C2=CC=C(C=C2)C(=O)N3C[CH]3C~   10.939
17838 O=C(CC1=CC=C(CC(=O)N2CC2)C=C1)N3CC3~   11.967
17839 CN(C)S(=O)(=O)NC1=C(C=CC=C1)C2=CC=CC=C2~    8.186
17840 CCC1(CCC2=CC=CC=C2)C(=O)NC(=S)NC1=O~    9.660
17841 NC1=CC=C(CS(=O)(=O)CC2=CC=C(N)C=C2)C=C1~   14.294
17845 CCOC(=O)CNC1=C2N=CC=CC2=CC(=C1)OC~   11.701
17847 CCOC(=O)C1=CC=C(C=C1)N2N=C(C)CCC2=O~    8.991
17848 CCOC(=O)C1=C(C)NC(=O)N[CH]1C2=CC=CC=C2~   12.394
17849 CCC1([CH](C)C2=CC=CC=C2)C(=O)NC(=O)NC1=O~   13.536
17851 CCCCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2~   13.536
17852 CCN(CC)C(=O)CN1C(=O)C2=C(C=CC=C2)C1=O~   12.238
17853 CCOC1=CC=C(NC(=O)NCC2=CC=CO2)C=C1~   11.553
17856 COCC1(CCC2=CC=CC=C2)C(=O)NC(=S)NC1=O~   11.714
17857 NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NCCO)C=C2~   17.479
17858 COC1=CC(=C(C=C1)N=C[CH]2CCCCC2=O)[N+]([O-])=O~    9.582
17859 CC(=O)CC(=O)NC1=C(NC(=O)CC(C)=O)C=CC=C1~   17.295
17860 O=C1C=CC(=O)N1CCCCCCN2C(=O)C=CC2=O~   17.166
17861 CCC1(CCOC2=CC=CC=C2)C(=O)NC(=O)NC1=O~   14.807
17862 CCOC(=O)[CH]1CC(=O)N(CC2=CC=CC=C2)C(=O)N1~   11.932
17863 OC(=O)[CH]1[CH]2CC[CH](O2)[CH]1C(=O)NCC3=CC=CN=C3~   19.764
17864 O=C(COC1=CC=C(OCC(=O)N2CC2)C=C1)N3CC3~   12.807
17866 CCOC1=CC=C(NC2=CC(=C(N)C=C2)S(O)(=O)=O)C=C1~   16.866
17867 O=S(=O)(NCCNS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2~   10.810
17868 O=C1N[CH]2CCCC[CH]2C(=O)N1OS(=O)(=O)C3=CC=CC=C3~   12.237
17869 CCOC(=O)C(=CNC1=C(C=CC=C1)[N+]([O-])=O)C(=O)OCC~   11.602
17873 CC1=CC(=C(C=C1N)S(O)(=O)=O)C2=C(C=C(N)C(=C2)C)S(O)(=O)=O~   22.863
17876 NC1=NC2=C(CCC2)C(=N1)NCC3=CC=CC=C3~    9.788
17877 CN(C1=CC=CC=C1)C2=C3CCCC3=NC(=N2)N~    7.983
17878 C1CN(CCN1C2=CC=CC=N2)C3=CC=CC=N3~   13.000
17879 CCOC1=CC=C(C=C1)N=NC2=C(N)C=C(N)C=C2~   12.842
17880 C1CN(CCO1)C2=C(N=C3C=CC=CC3=N2)N4CC4~   12.662
17882 CC(=NNS(=O)(=O)C1=CC=C(N)C=C1)C2=CC=C(N)C=C2~   13.821
17884 CN1C(=C(NC(=O)CC2=CC=CC=C2)C(=O)N(C)C1=O)N~   16.496
17885 NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=C3CCCCC3=N2)O~   13.807
17886 NC(=O)NCNC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(N)C=C2~   18.629
17887 CC1=CC(=C(N)C=C1N)N=NC2=C(C)C(=CC=C2)S(O)(=O)=O~   17.983
17888 CC1=CC(=C(C=C1)N=NC2=C(N)C=C(N)C(=C2)C)S(O)(=O)=O~   17.983
17891 CCOC1=CC(CCC1)=NNC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O~    9.466
17892 NC(=N)SCC1=C2C=CC=C(CSC(N)=N)C2=CC=C1~   18.158
17894 C1CN(CCO1)C2=NC3=C(N=CN3)C(=N2)NCC4=CC=CO4~   14.319
17895 NC(=N)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NC(N)=N)C=C2~   23.845
17896 CN1C(=C(C(=O)N(C)C1=O)C(=O)C(=O)C2=C(N)N(C)C(=O)N(C)C2=O)N~   29.134
17898 CC(C)CC1=C2C=CC=CC2=CC(=C1)O~    6.851
17899 O=C(C=C1CCCCC1)C2=CC=CC=C2~    4.883
17900 O=C1CCCC2=C1C=C3CCCCC3=C2~    5.222
17901 OCCCCC1=CC2=C(C=CC=C2)C=C1~    7.304
17902 C[CH]1CCCC(=CC2=CC=CC=C2)C1=O~    5.724
17903 CC(C)COC1=C2C=CC=CC2=CC=C1~    4.138
17905 CC1(C)C(=O)CC(CC1=O)C2=CC=CC=C2~    8.556
17906 CC1=CC(=O)OC2=C1C=C(C=C2)C(C)(C)C~    4.551
17907 CC1=CC(=O)OC2=C1C=CC(=C2)C(C)(C)C~    4.551
17908 OC(=O)[CH]1[CH]2CC[CH](C2)[CH]1C3=CC=CC=C3~    7.328
17909 CC1=CC[CH](CC1)OC(=O)C2=CC=CC=C2~    4.060
17910 CC(=O)CC(=O)[CH]1CCC2=C(C1)C=CC=C2~    8.636
17911 O=C1O[CH]2CCCC[CH]2[CH]1C3=CC=CC=C3~    4.947
17913 O=C1OC2(CCCCC2)O[CH]1C3=CC=CC=C3~    6.150
17914 CCOC(=O)CC(=CC1=CC=CC=C1)C(C)=O~    8.237
17915 COC1=CC(=O)O[CH](CCC2=CC=CC=C2)C1~    6.074
17916 OC(=O)[CH]1CCCC[CH]1C(=O)C2=CC=CC=C2~    9.876
17919 CCOC(=O)C(=CC1=CC=CC=C1)C(=O)OCC~    7.963
17920 CC(C)=CCC1=C(OC(C)=O)C=CC(=C1)C(O)=O~    8.333
17921 CCCCOC(=O)C1=C(C=CC=C1)C(=O)OC=C~    5.458
17923 COC1=C2C=CC(C)(C)OC2=C(C(C)=O)C(=C1)O~    8.674
17924 CC(C)(O)CC(=O)C=CC1=CC2=C(OCO2)C=C1~   12.936
17925 CCOC(=O)COC1=C2C(=O)CCC2=C(C)C=C1~    8.157
17928 C[CH]1C=C[CH](C2OCCO2)[CH]3[CH]1C(=O)C=CC3=O~   11.503
17929 COC1=C2C=CC(C)(C)OC2=CC(=C1C(C)=O)O~    8.674
17930 CCC(CC=CC1=CC=CC=C1)(C(O)=O)C(O)=O~   12.252
17933 COC1=CC(=CC(=C1OC)OC)C=C2CCOC2=O~    9.228
17937 CO[CH]1O[CH]2CO[CH](O[CH]2[CH]3O[CH]13)C4=CC=CC=C4~   13.405
17938 CCOC(=O)C(=CC1=CC(=C(OC)C=C1)OC)C(O)=O~   13.046
17939 COC1=C(OC)C(=CC(=C1)C=CC(=O)OC(C)=O)OC~    9.759
17941 CCC(=O)OC(OC(=O)CC)C1=CC2=C(OCO2)C=C1~   10.161
17944 N#C[CH](C1CCCCC1)C2=CC=CC=C2~    5.225
17945 CCCCNC1=C2C=CC=CC2=CC=C1~    6.020
17946 CCN(CC)C1=C2C=CC=CC2=CC=C1~    4.833
17947 CCCCNC1=CC2=C(C=CC=C2)C=C1~    6.020
17948 CC1=CC=CC=[N+]1CCC2=CC=CC=C2~   10.750
17951 O=C(C=CC1=CC=CC=C1)N2CCCCC2~    8.883
17952 NC(=O)[CH](C1=CCCCC1)C2=CC=CC=C2~    8.646
17953 CC1=CC=C[N+](=C1)[CH](CO)C2=CC=CC=C2~   15.186
17955 C[CH](NCCO)C1=CC2=C(C=CC=C2)C=C1~   11.073
17956 CC1=CO[C](C)(CC1)C=NC2=CC=CC=C2~    3.620
17957 CCCC[CH](C)N1C(=O)C2=CC=CC=C2C1=O~    7.033
17958 OCCN(CCO)C1=CC2=C(C=CC=C2)C=C1~   10.706
17960 CC1CC(=O)N(CCC2=CC=CC=C2)C(=O)C1~    7.979
17961 CCN(CC)S(=O)(=O)C1=CC2=C(C=CC=C2)C=C1~    6.456
17962 CC(=O)N[CH]1[CH](CCC2=C1C=CC=C2)OC(C)=O~   11.393
17964 CCN(CC)C(=O)C=CC1=CC2=C(OCO2)C=C1~   11.583
17965 CCCCC1=CC=C(NC(=O)C=CC(O)=O)C=C1~   13.406
17966 CCC1(COC(OC1)C=CC2=CC=CC=C2)[N+]([O-])=O~    8.757
17967 COC1=CC=C(C=CC(=O)NCCOC(C)=O)C=C1~   12.967
17968 OC(=O)[CH]1CCCN(C1)C(=O)OCC2=CC=CC=C2~   12.928
17969 CCOC(=O)C[CH](C(C)=O)C(=O)NC1=CC=CC=C1~   13.759
17970 CCOC(=O)C(NC(=O)C1=CC=CC=C1)C(=O)OCC~   12.014
17971 CCOC(=O)[CH](CCC1=C(C=CC=C1)[N+]([O-])=O)C(C)=O~   10.056
17972 CCOC(=O)[CH]1CC(=O)NC2=C1C=C(OC)C(=C2)OC~   13.479
17976 C[N+]1=CC=C(CCSC2=CC=CC=C2)C=C1~   12.328
17977 CC1=C(N=C2C=CC=CC2=N1)N3CCCCC3~    8.287
17979 CCCC(=O)NC1=CC2=C(N)C=C(C)N=C2C=C1~   15.266
17981 NNC(=O)C1=CN(CCC2=CC=CC=C2)C=CC1~   14.408
17982 CCCCC1=CC(=C2C=CC=CC2=N1)C(=O)NN~   14.516
17983 CC[C]1(C(=O)NC(=NC1=O)N(C)C)C2=CC=CC=C2~   13.052
17984 CCOC1=C(OCCC2=CC=CC=C2)C=NC(=N1)N~    7.780
17985 CCOC(=O)[C](CCC1=CC=CC=N1)(NC(C)=O)C#N~   15.921
17986 CCOC(=O)NC1=C(C)N(C)N(C1=O)C2=CC=CC=C2~   10.162
17987 [O-][N+](=O)C1=CC(=C(C=C1)C#N)OCCN2CCCCC2~   11.084
17988 O=C(NC(=O)C=CC1=CC=CO1)NC(=O)N2CCCCC2~   16.114
17989 [O-][N+](=O)C1=CC(=C(C=C1)C#N)OCCCN2CCOCC2~   13.138
17990 CCN(CC)CCOC(=O)C1=NOC2=C1C=CC(=C2)[N+]([O-])=O~   12.788
17991 CC(=O)NC1=C(C=C(C=C1[N+]([O-])=O)C2CCCCC2)[N+]([O-])=O~    8.943
17993 CN(C)C1=NC(=NC=C1C)SCC2=CC=CC=C2~    8.329
17996 C1CCC2=C(C1)C=CC3=C2CCCC3~    2.317
17997 CC1=CC(=C2C(=C1)C(=CC2(C)C)C)C~    2.272
17998 CC1(C)C=CC(C)(C)C2=C1C=CC=C2~    1.857
17999 C1CCC(=CC1)CCC2=CC=CC=C2~    1.703
18001 CN1CCC[C](CC1)(C#N)C2=CC=CC=C2~    8.775
18002 N=C(C=CC1=CC=CC=C1)N2CCCCC2~    7.177
18004 CCCCCC1=C(C)N=C2C=CC=CC2=N1~    5.967
18005 C1CCN(CC1)CC2=CNC3=C2C=CC=C3~    9.301
18007 COC1=CC(=CC=C1)C2(CCN(C)CC2)C#N~   10.127
18011 CN1CCN(CC1)C(=O)CC(=O)C2=CC=CC=C2~   14.682
18012 CCCCN1C(=O)NC(=O)[C]1(C)C2=CC=CC=C2~    9.063
18013 CC(C)N1C[CH](C)C(=O)N(C1=O)C2=CC=CC=C2~    8.559
18015 CC(=O)NC1=CC(=CC=C1)CC(=S)N2CCOCC2~   13.706
18016 CCN(CC)CCOC(=O)C1=CC=C(C=C1)N=C=S~    8.234
18017 COC1=CC(=C2N(CCCC2=C1)C(C)=O)NC(C)=O~   11.057
18019 CC(=O)NC1=CC=C(C=C1)C(=O)CN2CCOCC2~   15.118
18020 CCOC(=O)[CH](CC1=CC=CC=C1)NC(=O)N2CC2~   10.939
18021 CCCOC[C]1(NC(=O)N(C)C1=O)C2=CC=CC=C2~   11.118
18023 CCOC(=O)C(C=NNC1=CC=CC=C1)C(=O)OCC~   10.171
18024 [O-][N+](=O)C1=CC=C(C=C1)C(=O)OC[CH]2CCCCCN2~   10.250
18025 CCOC1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)OCC~   13.112
18027 CC1(C)CCC(C)(C)C2=C(C=C(C=C12)[N+]([O-])=O)[N+]([O-])=O~    6.607
18029 COC(=O)C1=CC=C(NC(=O)CN2CCOCC2)C=C1~   14.569
18030 CC(=O)C1=C(C)C(=C(C(=C1C)[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O~    9.319
18031 N[CH](CSSC[CH](NC(=O)OCC1=CC=CC=C1)C(O)=O)C(O)=O~   21.336
18032 CCOC(=O)C1=C(NC(=C1CCC(=O)OC)C(=O)OC)C=NO~   15.936
18033 CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)C(=O)C=[N+]=[N-]~   12.618
18034 CC1=CC(C)(C)NC(=S)N1C2=C(C)C=CC=C2~    4.963
18036 CC1=CC=C(C=C1)N2C(=CC(C)(C)NC2=S)C~    4.963
18037 CCCCC1=NN=C(NS(=O)(=O)C2=CC=C(NC(C)=O)C=C2)S1~   15.701
18038 CC(=C)C(C)(C)C(C)=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~    7.955
18039 CCN(CC)CCNC(=O)C1=NOC2=C1C=CC(=C2)[N+]([O-])=O~   16.640
18040 COC(OC)C1=NC(=NC(=C1)C)NS(=O)(=O)C2=CC=C(N)C=C2~   12.879
18041 CCC1=C(NC2=CC=C(C)C(=C2)C)N=C(N)N=C1S~    8.319
18042 C1CN=C(N1)SCC2=CC=C(CSC3=NCCN3)C=C2~   16.493
18043 CCN(CC)CCNC1=C(C=C(C=C1)N=C=S)N=C=S~    9.991
18044 CCOC(=O)C[CH](C(=O)OCC)C1=C(O)N=C2N=C(N)N=C(N)C2=N1~   21.983
18045 CCCCCC(C=O)=CC1=CC=CC=C1~    5.108
18047 CC1=CC2=C(C=C1C=O)C(C)(C)CCC2~    4.607
18050 O=C1CCCC[CH]1CCC2=CC=CC=C2~    5.138
18051 CC1C2CC(C1C=O)C3C4CC(C=C4)C23~    4.170
18052 CC1(C)CC(=O)C(C)(C)C2=C1C=CC=C2~    5.218
18053 CC1=CC2=C(C(=C1)C)C(=O)CC(C)(C)C2~    4.866
18054 C=CC1CC2CC1C3C4CC(C5OC45)C23~    3.996
18055 CC(=O)O[CH]([CH](OC(C)=O)[CH](OC(C)=O)C(O)=O)[CH](OC(C)=O)C(O)=O~   19.815
18056 CC(=O)OC1CCC(CC1)C2=CC=CC=C2~    4.590
18058 CC1=CC=CC(=C1)C(=O)OC2CCCCC2~    4.157
18059 CC(=C)COC(=O)C1=C(C)C=C(C)C=C1C~    4.018
18060 CC(=O)O[CH]1CCCC[CH]1C2=CC=CC=C2~    4.590
18061 CO[C]1(CCCCCC1=O)C2=CC=CC=C2~    6.343
18062 OC(=O)CCCC1=C2CCCCC2=CC=C1~    7.133
18063 CC(=O)C1=C(C)C(=C(C)C(=C1C)C)C(C)=O~    7.577
18064 OC(=O)CCCC1=CC2=C(CCCC2)C=C1~    7.133
18065 C1CCC2(CC1)OC[CH](O2)C3=CC=CC=C3~    5.485
18066 CCCCCOC(=O)C=CC1=CC=CC=C1~    4.889
18067 CC(C)CC(=O)OCC=CC1=CC=CC=C1~    4.618
18068 CC1(C)COC(OC1)C=CC2=CC=CC=C2~    5.513
18071 CCOC(=O)C[C](C)(O)C1=CC=C(C=C)C=C1~    9.207
18074 OC(=O)[CH](C1=CC=CC=C1)C2(O)CCCCC2~   11.409
18075 O[CH](C1CCCC1)[CH](C(O)=O)C2=CC=CC=C2~   11.409
18079 OC(=O)[C](O)(C1CCCCC1)C2=CC=CC=C2~    7.780
18081 CCCC(=O)OC1=CC=C(CCC(C)=O)C=C1~    6.947
18082 COC1=CC=C(C=C1)C=C[C]2(C)OC[CH](C)O2~    6.863
18083 CCOC[CH]1CO[CH](O1)C=CC2=CC=CC=C2~    7.567
18085 O[CH]1CCCC[CH]1[CH](C(O)=O)C2=CC=CC=C2~   11.409
18087 CC(=O)O[CH](C1=CC2=C(OCO2)C=C1)C(C)(C)C~    7.292
18088 COC1=CC=CC(=C1OC)[CH](CC=C)OC(C)=O~    7.063
18091 CCOC(=O)C(C)=CC1=CC(=C(OC)C=C1)OC~    7.521
18093 CC(C)OC(=O)C1=C(C=CC=C1)C(=O)OC(C)C~    6.158
18094 COC1=CC=C(C=C1OC)[CH](CC=C)OC(C)=O~    7.063
18095 CC1(C)OCC(CO1)CC2=CC3=C(OCO3)C=C2~    8.187
18096 CC1=CC=C(C=C1)C(C)(C)[CH](CC(O)=O)C(O)=O~   11.947
18098 CCOC(=O)C[CH](C)CC1=CC2=C(OCO2)C=C1~    7.292
18099 CC(=O)CCC1=CC=C(OCCOC(C)=O)C=C1~    9.003
18100 C[CH]([CH]1OC[CH](COC(C)=O)O1)C2=CC=CC=C2~    8.000
18101 CCC(=O)OC1=C(OC)C=C(CCC(C)=O)C=C1~    8.299
18102 C[CH]1O[CH](OCC1(C)C)C2=CC3=C(OCO3)C=C2~    8.187
18103 CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC~    7.103
18104 CCOC(=O)[CH]1CCC[CH](O1)OC2=CC=CC=C2~    7.967
18105 CC(C)C1=CC=C(C=C1)C(OC(C)=O)OC(C)=O~    7.184
18106 C[CH](CCC1=CC=C(OC(C)=O)C=C1)OC(C)=O~    6.400
18108 CCC1(C)COC(OC1)C2=CC3=C(OCO3)C=C2~    8.187
18109 CC(=O)OC[CH]1CO[CH](CCC2=CC=CC=C2)O1~    8.000
18112 OCCCC[CH]1CO[CH](O1)C2=CC3=C(OCO3)C=C2~   12.623
18117 COCCOC(=O)C1=C(C=CC=C1)C(=O)OCCOC~   10.268
18118 CO[CH]1O[CH]2CO[CH](O[CH]2[CH](O)[CH]1O)C3=CC=CC=C3~   16.369
18119 COC1=C(OC)C=C(C[CH](C)C(C(O)=O)C(O)=O)C=C1~   14.570
18120 COC1=CC=C(C=C1OC)[CH]2OC[CH](COC(C)=O)O2~   10.701
18121 OCCOC(=O)CCCCC(=O)C1=C(O)C=C(O)C=C1~   16.441
18122 CCOC(=O)C([CH](C1=CC=CC=C1)S(O)(=O)=O)C(=O)OCC~   13.870
18124 C1CCN(CC1)CC=CC2=CC=CC=C2~    5.654
18125 CC(=O)C1=CC=C(CCN2CCCC2)C=C1~    8.256
18126 NC(=O)CC1CCC(CC1)C2=CC=CC=C2~    8.662
18128 CCOC1=CC2=C(NC(C)(C)C=C2C)C=C1~    6.616
18129 CCN(CC)C(=O)C=C(C)C1=CC=CC=C1~    8.453
18130 C[CH](CC(=O)C1=CC=CC=C1)N2CCCC2~    8.177
18131 CC1CCN(CC1)CC(=O)C2=CC=CC=C2~    6.876
18132 COC1=CC=C(C=C1)[CH]2[CH]3CC[CH](C3)[CH]2N~    7.415
18133 CC1=C(C=CC=C1)C(=O)NC2CCCCC2~    8.011
18134 CN(C(=O)C=C(C)C)C1=CC=C(C)C(=C1)C~    6.701
18135 CN1C(=O)CC(C)(C)C2=C1C=C(C)C(=C2)C~    6.879
18136 CC1=CC=C(C=C1)C(=O)NC2CCCCC2~    8.011
18137 CC1=CC=C(NC(=O)C2CCCCC2)C=C1~    7.907
18139 CC1=CC=CC(=C1)C(=O)NC2CCCCC2~    8.011
18140 CN(C)CCC(=O)C1=CC2=C(CCC2)C=C1~    8.337
18141 C1CCC(CC1)N2COC3=C(C2)C=CC=C3~    5.678
18142 CCCCCC(C=NO)=CC1=CC=CC=C1~    5.896
18144 C1CCC(CC1)NCC2=CC=C3OCOC3=C2~    8.547
18145 CC(=O)OC1=CC(=CC=C1)CN2CCCCC2~    7.437
18147 CCC(=CC1=CC=C(C=C1)C(C)(C)C)[N+]([O-])=O~    4.728
18148 CCOC(=O)C1(CCNCC1)C2=CC=CC=C2~    8.359
18149 C[C]1(CCCC[CH]1OC(N)=O)C2=CC=CC=C2~    8.113
18150 CCCCN1C(=O)OC2=C1C=C(CCC)C=C2~    5.466
18151 CNC(=O)OC1=C(C=CC=C1)C2CCCCC2~    7.191
18153 O=C(CCN1CCCCC1)C=CC2=CC=CO2~    9.101
18154 CC=CCN(C(=O)OC(C)C)C1=CC=CC=C1~    5.790
18155 CCN(CC)CCS[CH]1OC(=O)C2=C1C=CC=C2~    9.804
18157 CCC(=O)OCCN(C(=O)CC)C1=CC=CC=C1~    9.152
18158 CCOC(=O)C1=C(CC)C=C(NC(C)=O)C=C1C~   10.069
18160 CN1CCC(O)(CC1)[CH](C(O)=O)C2=CC=CC=C2~   14.959
18161 COC1=CC=C(C=CC(=O)NC(C)(C)CO)C=C1~   14.533
18162 CNC(=O)OCCOC1=CC=C(CC=CC)C=C1~    8.947
18163 COC1=CC=C(C=C1)C(=O)CCN2CCOCC2~   11.582
18165 CC1=C(C=CC(=C1O)O)C(=O)CN2CCCCC2~   14.921
18166 COC(=O)CCC1=CC=C(C=C1)[CH](O)CN2CC2~   12.658
18167 CC(C)C[CH](NC(=O)SCC1=CC=CC=C1)C(O)=O~   10.199
18168 CCC1(COC(CCC2=CC=CC=C2)OC1)[N+]([O-])=O~    8.373
18170 C[CH]1CCC(=O)[CH](C1)C(=O)CC2CC(=O)NC(=O)C2~   13.558
18172 C[CH]1CCC[CH](C(=O)CC2CC(=O)NC(=O)C2)C1=O~   13.558
18174 CCOC1=CC(=C(OCC)C=C1)NC(=O)CC(C)=O~   13.592
18175 CCOC(=O)C(=O)NCCC1=CC(=C(OC)C=C1)OC~   12.764
18177 COC1=CC=C(C=CC(=O)NC(CO)(CO)CO)C=C1~   17.407
18181 CCOC(=O)C1=C(C)NC(=C1C)C(=O)CCC(=O)OC~   12.264
18182 CO[CH]1O[CH]2CO[CH](O[CH]2[CH](O)[CH]1N)C3=CC=CC=C3~   18.917
18183 CCC(=O)OC1=C(C)NC(=C1CCC(=O)OC)C(=O)OC~   11.445
18188 S=C(CC1=CC=CC=C1)NC2CCCCC2~    5.682
18189 CCCC[CH](CC)C1=NC2=CC=CC=C2S1~    5.646
18190 CCCCC(CN)(C1=CC=CS1)C2=CC=CS2~    7.221
18191 CN1CCN(CC1)CC2=CNC3=C2C=CC=C3~   12.851
18192 CCN(CC)CCN1C=NC2=C(C=CC=C2)C1=O~   12.031
18193 NC(=O)NN=C1CCC[CH]1CCC2=CC=CC=C2~    9.721
18194 COC1=CC(=C2N=CC=CC2=C1)NCCCCN~   14.119
18195 CCC(=O)NC1=CC2=C(N)C=C(C)[N+](=C2C=C1)C~   20.060
18196 CN(C)CCN(CC1=CC=CO1)C2=CC=CC=N2~   11.225
18197 CCCCCC[C]1(NC(=O)NC1=O)C2=CC=CC=N2~   12.042
18198 CCCCCC[C]1(NC(=O)NC1=O)C2=CC=NC=C2~   12.042
18200 CCOC(=O)[CH](NC(C)=O)C(C)=NNC1=CC=CC=C1~   12.724
18201 CCN(CC)CCCOC1=C(C=CC(=C1)[N+]([O-])=O)C#N~   10.728
18202 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCCC2~   11.629
18203 CC(C)=CC(C)=NNS(=O)(=O)C1=CC=C(NC(C)=O)C=C1~   11.256
18205 CCOC(=O)CC(C)=NNS(=O)(=O)C1=CC=C(NC(C)=O)C=C1~   14.142
18209 CCOC(=O)C1=CC=C(C=C1)N2C(=N)NC(=N)NC2(C)C~   14.206
18210 CC1=C(C[CH](CC(=O)NN)C(=O)NN)C2=C(N1)C=CC=C2~   20.917
18212 CCC1=CC2=C(C=C1)C(C)(C)CCC2~    1.879
18213 CC[C]1(C)CC[CH](C)C2=C1C=CC=C2~    1.801
18214 C[CH]1CCC(C)(C)C2=C1C=CC(=C2)C~    1.879
18218 CC(C)[CH]1CC2=C(C1)C(=C(C)C=C2)C~    1.963
18219 CC(C)CC1=C2CCCCC2=CC=C1~    1.879
18223 CC1=C[N+](=CC=C1)CC[N+]2=CC(=CC=C2)C~   12.304
18224 CC1=CC=[N+](CC[N+]2=CC=C(C)C=C2)C=C1~   12.304
18225 CC1=CC=C(C)N1CCN2C(=CC=C2C)C~    6.000
18226 C1CC1C(=NN=C(C2CC2)C3CC3)C4CC4~    2.175
18227 CCN1C=C([CH](O)CN(C)C)C2=C1C=CC=C2~   12.177
18228 CC1=CC=C(NC(=O)CN2CCCCC2)C=C1~   10.158
18229 CN1CCN(CC1)CCC(=O)C2=CC=CC=C2~   11.728
18230 COC1=C(C=CC=C1)N2CCN(CC2)CC=C~    8.714
18231 CCNC(=O)[CH]1CN(CC)C2=C(C1)C=CC=C2~   10.488
18233 CC(=O)CC(C)(C)NC(=S)NC1=CC=C(C)C=C1~    9.479
18235 [O-][N+](=O)C1=CC=C(CCNC2CCCCC2)C=C1~    7.893
18236 O[CH](C(=O)NCN1CCCCC1)C2=CC=CC=C2~   10.301
18237 C[N+]1=CC=CC=C1[CH](O)[CH](O)C2=CC=CC=[N+]2C~   18.178
18238 CCC[CH](CCC1=CC=CC=C1)C(=O)NC(N)=O~   10.445
18239 CC1=C(N)C=C2C(=C1[N+]([O-])=O)C(C)(C)CC2(C)C~    7.735
18240 CN(C)C1CCC(CC1)NC2=CC(=O)C=CC2=O~   13.983
18242 OC1=C(CNCC=C)C=C(O)C(=C1)CNCC=C~   17.204
18243 O[CH](CCN1CCCCC1)C2=CC=C(C=C2)[N+]([O-])=O~   12.112
18244 CN(C)CCCNC(=O)[CH]1COC2=C(O1)C=CC=C2~   13.767
18245 CNCC(=O)NC1=CC=C(C=C1)C(=O)OCC(C)C~   12.378
18247 CCCCCC(=O)NC(=O)NC1=C(OC)C=CC=C1~   10.963
18249 COC1=CC=C(C[CH](N)C(=O)N2CCOCC2)C=C1~   14.318
18251 CCN(CC)CCCN1C(=O)C2=CC=CC=C2S1(=O)=O~   11.381
18253 CNC(=O)OC1=C(OC(=O)NC)C=C(C=C1)C(C)(C)C~    9.106
18254 CCOC(=O)NN(C(=O)OCC)C1=C(C)C=CC=C1C~    7.479
18255 OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](NCC1=CC=CC=C1)C#N~   18.824
18256 CCOC(=O)C1=C(CN)NC(=C1CCC(=O)OC)C(=O)OC~   15.703
18257 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N[CH]2[CH](O)O[CH](CO)[CH](O)[CH]2O~   23.417
18258 CN1[CH]2CCC[CH]1CN(C2)N=NC3=CC=CC=C3~    9.793
18259 O=C(C[N+]12CN3CN(CN(C3)C1)C2)C4=CC=CC=C4~   11.504
18260 CC(C)CNC(=S)NN=CC1=CC=C(NC(C)=O)C=C1~   12.697
18261 CCCCSC1=C2N=CN([CH]3CCCCO3)C2=NC=N1~   10.767
18262 CN1C(=O)N(C)C2=C(N(C)C(=N2)C3CCCCC3)C1=O~   10.144
18263 CN1C(=O)N(C)C2=C(N=C(NCC3CCCCC3)S2)C1=O~   14.495
18264 CN1C(=O)N(C)C2=C(N(C)C(=N2)OC3CCCCC3)C1=O~   11.415
18265 CCCCCCC(C)=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~    7.900
18268 CC(C)C(C)(C)C(C)=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~    7.900
18269 CC(C)CC(=O)C1=C(C)C=C(C)C=C1C~    4.511
18270 CC1=CC(=C(C)C=C1)[CH]2CCCC[CH]2O~    6.318
18271 CC(=O)C1=C(C)C=C(C=C1C)C(C)(C)C~    4.511
18273 CC(C)C1=CC=C(C)C(=C1)C[CH](C)C=O~    4.684
18274 CC[CH](CC1=CC=C(C=C1)C(C)C)C=O~    4.604
18275 C[CH](CC1=CC=C(C=C1)C(C)(C)C)C=O~    4.604
18276 CC(C)C1=CC=C(C[CH](C)C(C)=O)C=C1~    4.863
18277 CCC1=CC(=C(C(C)=O)C(=C1)CC)CC~    4.511
18278 O=C1CC2(CCCCC2)C3=C1CCCC3~    4.203
18279 OC1(CCCC1)CCCC2=CC=CC=C2~    6.157
18280 CCCC[S+](CC)CC(=O)C1=CC=CC=C1~    6.203
18281 CCCC(=O)OC1=CC=C(C=C1)C(C)(C)C~    3.530
18282 CCCCCC(=O)OCCC1=CC=CC=C1~    4.234
18283 CCCCCCOC(=O)CC1=CC=CC=C1~    4.234
18284 CC(C)C[CH](C)OC(=O)CC1=CC=CC=C1~    4.234
18285 CCC(=O)OC1=C(C)C=C(C=C1)C(C)(C)C~    3.611
18286 CCCCCC1=C(OC(C)=O)C=C(C)C=C1~    3.611
18287 CCC[CH](C)COC(=O)CC1=CC=CC=C1~    4.234
18288 CCCOC(=O)C1=CC=C(C=C1)C(C)(C)C~    3.801
18289 CC1(C)COC(C)(CC2=CC=CC=C2)OC1~    5.130
18290 C[CH]1C[CH](C)O[C](C)(CC2=CC=CC=C2)O1~    5.130
18295 CCC[CH](C)C(=O)OCCC1=CC=CC=C1~    4.234
18296 CC1=C(C)C(=CC(=C1)C(C)(C)CC(O)=O)C~    6.857
18298 CC[CH](C)OC(=O)C1=CC=C(C=C1)C(C)C~    3.801
18299 CC(C)COC(=O)C1=CC=C(C=C1)C(C)C~    3.801
18300 CCC(CC)C(=O)OCCC1=CC=CC=C1~    4.234
18304 CCCCC(=O)OCCCC1=CC=CC=C1~    4.234
18305 CC(C)CC(=O)OCCCC1=CC=CC=C1~    4.234
18308 CC1(C)COC(CCC2=CC=CC=C2)OC1~    5.130
18309 CCCCCCC(=O)OCC1=CC=CC=C1~    4.234
18310 CC(C)C1=CC=C(OC[CH]2CCCO2)C=C1~    6.026
18311 CCCC(C)(C)COC(=O)C1=CC=CC=C1~    3.721
18312 C[CH]1O[CH](O[CH]1C)C2=CC=C(C=C2)C(C)C~    5.210
18313 CCCCCCCC(=O)OC1=CC=CC=C1~    3.450
18314 C[CH]1CC(C)(C)O[CH](CC2=CC=CC=C2)O1~    5.130
18316 CCC(=O)O[CH]1C[CH]2CC[C]13CC=CC[CH]23~    3.526
18317 CC1C2CCC3(CC=C(C)CC23)C1OC=O~    3.194
18318 OC1=CC(=C(CCC2CCCCC2)C=C1)O~    9.686
18321 CC[CH](OC(=O)CC(C)C)C1=CC=CC=C1~    4.234
18324 CC(C)C[CH](C)OC(=O)C1=C(C)C=CC=C1~    3.801
18325 C[CH]1O[C](C)(OCC1(C)C)C2=CC=CC=C2~    5.130
18327 C[CH](C1OCC(C)(C)CO1)C2=CC=CC=C2~    5.130
18328 C[CH]1O[CH](CC2=CC=CC=C2)OCC1(C)C~    5.130
18330 CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C~    7.785
18332 CC1=CC=C(C=C1)C2(C)OCC(C)(C)CO2~    5.210
18333 C[CH]1CCO[C](C)(O1)C2=C(C)C=C(C)C=C2~    5.290
18336 O=C(CCC1=CC=CS1)OCC2CCCCC2~    4.609
18337 COC1=CC=C(C=C1)C(=O)O[CH](C)CC(C)C~    5.072
18340 COC1=CC=C(C=C1)[CH]2O[CH](C)CC(C)(C)O2~    6.480
18341 CCCCCCOC(=O)[CH](O)C1=CC=CC=C1~    5.041
18342 CCCCCOC(=O)[CH](O)C1=CC=C(C)C=C1~    5.121
18344 CCC(CC)C(=O)OCCOC1=CC=CC=C1~    5.504
18345 CCOCCOC(=O)C1=CC=C(C=C1)C(C)C~    5.857
18346 CCOC(OCC)C1=C(OCC=C)C=CC=C1~    6.253
18347 CC[CH](C)C1=CC=C(OC[CH](C)OC=O)C=C1~    5.325
18348 CC[CH](C)C1=C(OC[CH](C)OC=O)C=CC=C1~    5.325
18353 CCCCOCCOC(=O)C1=C(C)C=CC=C1~    5.857
18354 COC1=CC=C(CC[C]2(C)OC[CH](C)O2)C=C1~    6.480
18356 CCC1(C)COC(OC1)C2=CC=C(OC)C=C2~    6.480
18357 COC1=CC=C(CCC2(C)OCCCO2)C=C1~    6.480
18358 C[C]1(OC[CH](CCCCO)O1)C2=CC=CC=C2~    9.567
18360 OCCCC[CH]1CO[CH](CC2=CC=CC=C2)O1~    9.567
18361 COC1=CC=C(C=C1)C2(C)OCC(C)(C)CO2~    6.480
18362 CC1CCC(CC1)OS(=O)(=O)C2=CC=C(C)C=C2~    5.668
18363 CC(=O)OCCCOCCCOC1=CC=CC=C1~    7.559
18365 CCC(CC)CC(=O)OC1=C(O)C(=CC=C1)OC~    8.783
18367 COC1=CC=C(C=C1)[CH]2OC[CH](CCCCO)O2~   10.917
18370 COC1=C(OC)C=C(CC(=O)OCC(C)C)C=C1~    6.936
18375 OCCSC1=C(SCCO)C(=O)C(=C(SCCO)C1=O)SCCO~   22.959
18376 OC[CH](O)[CH]1OC(O[CH]([CH](O)CO)C1O)C2=CC=CC=C2~   15.314
18377 CCOC(=O)C(C(=O)OCC)=C(C(=O)OCC)C(=O)OCC~   12.015
18379 CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)C(C)=O~   13.578
18380 CC(=O)OC[CH]1O[CH](C[CH](OC(C)=O)[CH]1OC(C)=O)OC(C)=O~   14.321
18381 CCCCCN1CCC2=C(C1)C=CC=C2~    5.351
18383 CCCCN(C(=O)CCC)C1=CC=CC=C1~    6.283
18384 CCN(CC)C(=O)C1=CC=C(C=C1)C(C)C~    7.437
18385 CCC(=O)N(CCC(C)C)C1=CC=CC=C1~    6.283
18386 COC1=CC=C(C[CH](C)N2CCCC2)C=C1~    6.622
18387 COC1=C(C[CH](C)N2CCCC2)C=CC=C1~    6.622
18388 C[N+]1(CCCCC1)CC(=O)C2=CC=CC=C2~   15.141
18389 COC1=C(CNC2CCCCC2)C=CC=C1~    6.842
18390 COC1=CC=C(CNC2CCCCC2)C=C1~    6.842
18391 CCCN(CCC)C(=O)C1=C(C)C=CC=C1~    7.437
18393 CCCN(CCC)C(=O)C1=CC(=CC=C1)C~    7.437
18394 CC(C)N(C(C)C)C(=O)C1=CC(=CC=C1)C~    7.437
18395 CCCN(CCC)C(=O)C1=CC=C(C)C=C1~    7.437
18396 CC(C)N(C(C)C)C(=O)C1=CC=C(C)C=C1~    7.437
18397 CCN(CC)C(C)(C)C(=O)C1=CC=CC=C1~    6.521
18402 CN1CCCC[CH]1[C](C)(O)C2=CC=CC=C2~    9.708
18404 CC(C)N(C(C)C)C(=O)CC1=CC=CC=C1~    7.870
18405 CCN(CC)C[CH](C)C(=O)C1=CC=CC=C1~    7.821
18406 CC(C)C(=O)C(C)(C)CCC1=CC=CC=N1~    7.542
18407 CC(C)C(=O)C(C)(C)CCC1=CC=CN=C1~    7.542
18408 CC(C)NC(=O)C1=CC=C(C=C1)C(C)(C)C~    7.656
18409 CCCCCCCCOC(=O)C1=CC=CC=N1~    6.481
18411 CCN(CC)C(=O)C[C](C)(O)C1=CC=CC=C1~   12.306
18414 COC1=CC(=CC=C1O)CNC2CCCCC2~   10.824
18415 COC1=CC=CC(=C1O)CNC2CCCCC2~   10.824
18416 CCCCN(CC)CC1=CC2=C(OCO2)C=C1~    7.975
18417 C[CH]1CN(C[CH](C)O1)C[CH](O)C2=CC=CC=C2~   11.762
18418 CCOC(=O)[CH](CCN(C)C)C1=CC=CC=C1~    7.785
18419 CCCCN[CH](C(=O)OCC)C1=CC=CC=C1~    6.703
18420 CCOC1=CC2=C(C=C1OCC)[CH](C)NCC2~    8.272
18421 CCC[CH]1N(C)CCO[C]1(O)C2=CC=CC=C2~   11.762
18423 CCN(CC)CCOC(=O)C1=CC=C(C)C=C1~    7.353
18424 CCN(CC)CCOC1=CC=CC(=C1)C(C)=O~    9.172
18425 CCCCC[N+]1=CC2=C(CC1)C=C(O)C(=C2)O~   19.335
18426 CCOC1=CC2=C(C=C1OC)C(=[N+](C)CC2)C~   14.072
18427 CC1=CC=C(C=C1)C(=O)C[N+]2(C)CCOCC2~   17.277
18428 CCO[C]1(CN(CC)CCO1)C2=CC=CC=C2~    8.680
18430 CCOC(=O)[CH](CCC1=CC=CC=N1)C(C)C~    6.996
18431 COC1=CC=C(SCCCN2CCOCC2)C=C1~   10.255
18434 CCN(CC)CCOC1=C(C=CC=C1)C(=O)OC~    8.623
18435 C[CH](O)COC(=O)N(C)[CH](C)CC1=CC=CC=C1~   11.757
18436 COC1=CC=C(C=C1)C(=O)C[N+]2(C)CCOCC2~   18.547
18437 CCCC(=O)NCCC1=CC(=C(OC)C=C1)OC~   10.790
18439 CC(C)OC(=O)NC1=C(O)C(=CC=C1C)C(C)C~   11.066
18440 CC(C)(C[C](C)(N)C(O)=O)OCC1=CC=CC=C1~   11.359
18441 CCCCOC(=O)[CH](N)CC1=CC=C(OC)C=C1~    8.272
18444 CCN(CC)C(=O)C1=CC(=C(OC)C(=C1)OC)OC~   11.410
18445 COC1=CC=C(C=C1)C(=O)CCN(CCO)CCO~   15.046
18446 COC1=CC(=CC(=C1OC)OC)C(=O)CCN(C)C~   11.873
18447 CCOC(=O)C1=C(C)NC(=C(C1C)C(=O)OCC)C~    9.270
18448 CCCCCCCS(=O)(=O)NC1=CC=C(C=C1)C(O)=O~    9.893
18449 CN(CCCCCC(O)=O)S(=O)(=O)C1=CC=C(C)C=C1~   10.285
18451 CCOC(=O)COC1=CC=C(C=C1)N(CCO)CCO~   12.573
18453 CN(C)C1=CC=C(S[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)C=C1~   17.045
18454 CCOC1=CC=C(N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)C=C1~   16.627
18456 CC(=O)OC[CH]1O[CH](OC(C)=O)[CH](N)[CH](OC(C)=O)[CH]1OC(C)=O~   18.309
18457 CCCCCCOC1=CC=C(C=C1)C=NNC(N)=S~    8.080
18458 CN1CCN(CCOC(=O)NC2=CC=CC=C2)CC1~   14.380
18460 CCOC1=CC=C(NC(=O)NCN2CCOCC2)C=C1~   13.428
18462 CCCCCC=NNS(=O)(=O)C1=CC=C(NC(C)=O)C=C1~   11.273
18463 CCN(CC)CCCNC(=O)C1=C(O)C=C(C=C1)[N+]([O-])=O~   14.412
18464 CCN(CC)CCNC(=O)C1=C(OC)C=C(C=C1)[N+]([O-])=O~   14.879
18465 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=C[CH](O)[CH](O)[CH](O)[CH](O)CO~   21.457
18466 CCN(CC)CCCNC1=NC2=CC=CC=C2S1~   12.350
18468 ON=C(C[N+]12CN3CN(CN(C3)C1)C2)C4=CC=CC=C4~   14.120
18470 CCO[CH]1CCC[CH](O1)N2C=NC3=C(N=CN=C23)N(C)C~   14.099
18471 CCCCSC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=NC(=N1)N~   17.979
18473 CCCSC1=CC=C(C=C1)N2C(=N)NC(=N)NC2(C)C~   13.427
18474 CC(C)(C)C1=CC=C(C=C1)C(C)(C)C~    1.445
18475 CC(C)[CH](C)C(C)(C)C1=CC=CC=C1~    1.365
18476 CC1=C(N)C2=C(C=C1N)C(C)(C)CC2(C)C~    8.785
18477 C1CCCN(CCC1)CCC2=CC=CC=N2~    8.031
18478 CCC1=CC=C(CCN2CCCCC2)N=C1~    8.111
18479 CC(C)(C)N1CCN(CC1)C2=CC=CC=C2~    7.235
18480 C[CH](CC[CH]1CCCCN1)C2=CC=NC=C2~    8.249
18482 C(CCN1CCNCC1)COC2=CC=CC=C2~   10.311
18483 CCCN1CCN(CC1)C2=C(OC)C=CC=C2~    8.587
18484 COC1=C(C=CC=C1)N2CCN(CC2)C(C)C~    8.587
18486 CC1=CC=CC(=C1)N2CCN(CCCO)CC2~   11.752
18487 CCN(CC)CC(=O)NC1=C(C)C=CC=C1C~    9.883
18488 CCN(CC)CC[CH](C(N)=O)C1=CC=CC=C1~   11.857
18489 CC(C)C(=O)[CH](CCN(C)C)C1=CC=NC=C1~   11.094
18491 CC(C)C(=O)[CH](CCN(C)C)C1=CC=CC=N1~   11.094
18492 CCCN(CCC)CCC1=CC=C(C=C1)[N+]([O-])=O~    7.319
18493 CNC(=O)OC1=CC(=C(C=C1C)N(C)C)C(C)C~    8.959
18495 CCCCNC1=CC(=O)C(=CC1=O)NCCCC~   12.228
18497 COC1=C(C=CC=C1)N2CCN(CCCO)CC2~   13.023
18498 CC(C)N(C)C1=CC(=O)C(=CC1=O)N(C)C(C)C~   11.790
18500 COC[CH](O)CN1CCN(CC1)C2=CC=CC=C2~   13.726
18501 CCCCCNCCOC(=O)C1=CC=C(N)C=C1~   10.943
18502 CCCCNCC(=O)NC1=CC=C(OCC)C=C1~   11.292
18503 CCN(CC)CCN1C(=O)[CH]2CC=CC[CH]2C1=O~   10.110
18504 CCOC(=O)C1=C(C)N2CN(CC2=C1C)C(C)C~    9.190
18505 COC(=O)C1=CC(=C(O)C(=C1)CN(C)C)CN(C)C~   14.967
18507 CCCOC1=C(N)C=C(C=C1)C(=O)OCCNCC~   12.293
18508 CCCNCCOC(=O)C1=CC(=C(OCC)C=C1)N~   12.293
18509 CC=CC(=O)OCCN1CCN(CC1)C(=O)C=CC~   13.471
18512 CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O~    7.357
18513 CCOC(=O)[CH]1C=C[CH](C)N(N1C(=O)OCC)C(=O)OCC~    8.836
18514 OC(=O)CN(CC(O)=O)[CH]1CCCC[CH]1N(CC(O)=O)CC(O)=O~   22.796
18515 CCSCN1CCN(CC1)C2=CC=C(C)C=C2~    6.740
18517 O=C(NN=C1CCCCC1)C(=O)NN=C2CCCCC2~    9.424
18520 CC(C)CNC(=S)NN=CC1=CC=C(C=C1)N(C)C~    8.556
18521 S=C1NC2(CCCCC2)N3N1C4(CCCCC4)NC3=S~    4.592
18522 CN(C)C(=S)SCNC1=CC=C(NCSC(=S)N(C)C)C=C1~    8.750
18524 CCC(CC)(CC)[CH](O)C1=CC=CC=C1~    5.801
18526 CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1~    5.347
18527 C[CH](CO)CC1=CC=C(C=C1)C(C)(C)C~    5.883
18529 CCCCCC(C=O)=C[CH]1CCC=CC1~    3.361
18530 CC1(C)CCCC2=C1C[C](C)(CC2)C=O~    3.315
18531 C[CH]1CC2=C(C[CH]1C=O)C(C)(C)CCC2~    3.315
18533 CCC(C)(CC)C1=C(OC)C=C(C)C=C1~    2.796
18534 C[CH]1C[CH](C(C)=CC=CC(C)=O)C1(C)C~    3.708
18535 CC(C)(C)C1=C(O)C(=CC=C1)C(C)(C)C~    5.427
18536 COC(=O)[CH](C)OC(=O)OCCOCCOC(=O)O[CH](C)C(=O)OC~   10.268
18539 CCCCOC1=CC=C(OCCCC)C=C1~    3.987
18540 CC(C)(C)CC(C)(C)C1=C(O)C=C(O)C=C1~    9.330
18541 OC1(CCCCC1)C#CC2(O)CCCCC2~    7.323
18542 CC(C)(C)C1=C(O)C=C(C(=C1)O)C(C)(C)C~    9.410
18543 CCOC(OCC)C1=CC=C(C=C1)C(C)C~    4.854
18544 CCCCCCC1=C(OC)C=CC(=C1)OC~    4.067
18545 CC(C)OC=C1CC[CH]2CCCC[CH]2C1=O~    5.147
18547 O=C1CCCC[CH]1COC[CH]2CCCCC2=O~    9.135
18548 C[CH](O)CO[CH](C)CO[CH](C)C1=CC=CC=C1~    9.910
18549 CCCCCCCCC=C[CH]1CC(=O)OC1=O~    3.629
18550 C[CH]1C=C[CH](C)[CH](COC(C)=O)[CH]1COC(C)=O~    5.684
18553 CCOC(=O)C=CCCCCC=CC(=O)OCC~    5.928
18554 CCS(=O)(=O)C(CCCC1=CC=CC=C1)S(=O)(=O)CC~    9.754
18555 CCOC(=O)C([CH]1CCCC(=O)[CH]1C)C(=O)OCC~    9.046
18558 CCOC(=O)[CH](C[C](CO)(C(C)=O)C(=O)OCC)C(C)=O~   16.545
18559 CCOC(=O)C(C(C(=O)OCC)C(=O)OCC)C(=O)OCC~   11.011
18560 CCOC(=O)CC(CC(=O)OCC)(OC(C)=O)C(=O)OCC~   10.161
18562 O=C(CCCCC(=O)OC[CH]1COCO1)OC[CH]2COCO2~   13.502
18564 CN(C)CCC1=C(C)C(=C(C)C=C1C)C~    5.236
18565 CC1=CC=CC=[N+]1CCC2CCCCC2~    9.274
18567 C[N+]1(CCCCC1)CCC2=CC=CC=C2~   13.536
18568 CCCCC(CCCC)C1=CC=CN=C1~    4.124
18569 CCC(C)(C)C1=CC=C(O)C(=C1)CN(C)C~    8.979
18570 CN(C)CC1=CC(=CC(=C1O)C)C(C)(C)C~    9.058
18571 CCC1=C(OCCN(C)C)C(=CC=C1)CC~    6.347
18572 CCCCCCCCC1=CC(=C(O)C=C1)N~    8.799
18573 CCCCNC(C)(C)[CH](O)C1=CC=CC=C1~    9.570
18575 CCN(CC)CCOC1=C(C)C=CC(=C1)C~    6.347
18576 CCN(CC)CCOC1=C(C)C=CC=C1C~    6.347
18577 C[N+]1(CCCCC1)C[CH](O)C2=CC=CC=C2~   17.975
18578 C[CH]1C=C(C)C[CH]([CH]1C)C(=O)NCC(C)=C~    6.652
18579 C[CH]1[CH]2CC[CH](C2)[CH]1C3=CCCN3CCO~    8.323
18581 COC1=C(O)C(=CC(=C1)C(C)(C)C)CN(C)C~   10.329
18583 COC1=CC2=C(C[N+](C)(C)[CH](C)C2)C=C1OC~   16.318
18584 CCN(CC)C[CH](O)CC1=CC=C(OC)C=C1~   10.703
18586 COC1=C(C[CH](O)CNCC(C)C)C=CC=C1~   10.921
18587 CCCNC[CH](O)CC1=CC=C(OCC)C=C1~   10.921
18589 CCCCCCCCS(=O)(=O)NC1=CC=CC=C1~    5.072
18590 CCCCC1=C(C)C(=C(C)C(=C1C)S(N)(=O)=O)C~    5.790
18591 CCN(CC)CCOC1=C(OC)C=CC=C1OC~    8.889
18592 CCOC(=O)CCC(NC(C)=O)(C(=O)OCC)C(=O)OCC~   13.564
18593 CCCCNCCSCCC1=CC=CC=C1~    7.228
18595 NC1=CC=C(OCCCCN2CCNCC2)C=C1~   13.762
18596 CCN(CC)CC(=O)NC1=C(C)C(=CC=C1C)N~   13.334
18597 OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O~   29.943
18601 CC[N+](CC)(CC(=O)NC)CC1=CC=C(C=C1)[N+]([O-])=O~   21.007
18602 CCCCCCCCCNC1=C2C=NNC2=NC=N1~   11.836
18603 CN1N=CC2=C(NC(C)(C)CC(C)(C)C)N=CN=C12~   10.629
18604 CCCCCCCCNC1=NC=NC2=C1C=NN2C~   10.629
18607 CCN(CC)CCOC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C~   14.609
18608 CCN(CC)CCN1C(=NC2=C1C(=O)N(C)C(=O)N2C)CO~   17.775
18609 CCOC(CNC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C)OCC~   16.351
18611 CCCC[N+]1(C)CCC[CH]1C2=CN=CC=C2~   16.296
18612 C=CCN(CCN(CC=C)CC=C)CC=C~    7.146
18614 CCN(CC)C[CH](O)CNCC1=CC=CC=C1~   13.121
18615 O=C(NC1CCCCC1)C(=O)NC2CCCCC2~    9.595
18616 CNC(=O)OC1=CC(=C(C=C1)[N+](C)(C)C)C(C)C~   18.115
18617 CC(=O)CC(C)=NCCCCN=C(C)CC(C)=O~    8.979
18618 O=C(CCCCCCCCC(=O)N1CC1)N2CC2~   10.054
18619 C[C]1(CCCCCCCCC=C)NC(=O)NC1=O~    7.578
18620 CC(=C)CN(CC(C)=C)C(=N)OC[CH]1CCCO1~   10.083
18621 CCOC(=O)C1=C(C)NC(=C1C)CNC(C)(C)C~   10.259
18622 CCCCOC(=S)SSC(=S)NCCNC(=S)SSC(=S)OCCCC~   10.427
18623 O=C(CCCCC(=O)N1CCOCC1)N2CCOCC2~   14.163
18624 CCOC(=O)C=C(C)NCCNC(C)=CC(=O)OCC~   12.827
18627 CC(C)C[CH](NC(=O)C(=O)N[CH](CC(C)C)C(O)=O)C(O)=O~   16.788
18629 S=C(NC1CCCCC1)C(=S)NC2CCCCC2~    8.169
18630 S=C(NC1CCCCC1)SC(=S)NC2CCCCC2~    4.924
18631 S=C(NC1CCCCC1)SSSC(=S)NC2CCCCC2~    4.547
18632 S=C(NC1CCCCC1)SSSSC(=S)NC2CCCCC2~    4.359
18634 CCCCCCCCCCN1N=NC2=C1N=C(N)N=C2O~   11.548
18635 O[CH](C=NNC(=N)C(=N)NN=C[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O)[CH](O)[CH](O)[CH](O)C(O)=O~   27.684
18636 CC(=O)[CH]1CC[CH]2CCCC(C)(C)[CH]2C1~    3.664
18638 CCCC(=O)C1=C[CH](CC[CH]1C)C(C)C~    3.564
18639 CC(=O)OC1CCC(CC1)C2CCCCC2~    3.114
18640 CC(=O)O[CH]1CCCC[CH]1C2CCCCC2~    3.114
18641 O=C(CCC1CCCCC1)OC2CCCC2~    3.114
18643 CC(C)C[CH]1C[CH](CC(C)C)C(=O)C(=O)C1~    5.830
18644 CCCCOC(=O)[CH]1[CH](C=C(C)C)C1(C)C~    2.742
18645 CC[CH](C)OC(=O)[CH]1[CH](C=C(C)C)C1(C)C~    2.742
18646 CC(C)COC(=O)[CH]1[CH](C=C(C)C)C1(C)C~    2.742
18648 OC(=O)CCC[CH]1CC[CH]2CCCC[CH]2C1~    5.496
18649 C[CH]1CC=CC[CH]1[CH]2OCC(C)(C)[CH](C)O2~    3.710
18653 CCCC(=O)OCC=C(C)CCC=C(C)C~    2.370
18655 C[CH]1CC[CH](C[CH]1SC(C)=O)[CH](C)CSC(C)=O~    6.524
18656 O=C(CCC1CCCCC1)OC[CH]2CCCO2~    6.069
18660 OC(=O)C(O)(C1CCCCC1)C2CCCCC2~    6.303
18661 CCCCC(CCC1CCCC1)(C(O)=O)C(O)=O~   10.393
18662 CCCC1(CCC)OC(=O)C(CC)(CC)C(=O)O1~    5.627
18666 CCOC(=O)[CH](C)[CH](OC(C)=O)C1CCCCC1~    5.627
18667 CCC(=O)OCC1CCC(CC1)COC(=O)CC~    5.627
18668 CCC(=O)OC1C(C)(C)C(OC(=O)CC)C1(C)C~    5.627
18669 C[CH](CC[CH](CCCOC(C)=O)OC(C)=O)OC(C)=O~    8.141
18670 CC1=C(C)C(=C(C[N+](C)(C)C)C(=C1)C)C~   13.502
18671 CCCC[N+]1(C)C[CH]2[CH]3C[CH](C=C3)[CH]2C1~   12.471
18672 C[CH]1C[CH](CC(C)(C)C1)N=C(C)C2CC2~    1.548
18673 CCCC(=O)N[CH]1C[CH]2CC[C]1(C)C2(C)C~    6.967
18676 CC(C)CNC(=O)[CH]1CC(=C[CH](C)[CH]1C)C~    6.595
18677 CCCCCCCCN=C[CH]1CCC=CO1~    2.476
18679 CC(C)(C)C1=CC(=C(O)C=C1)C[N+](C)(C)C~   17.243
18680 CCCCCCCCCCN1C(=O)CCC1=O~    6.148
18681 C[CH]1CC(C)(C)N[CH](O1)[C]2(C)CCC(=CO2)C~    5.979
18682 CC(C)(CO[CH]1C[CH]2CC[C]1(C)C2(C)C)[N+]([O-])=O~    5.542
18683 OC(=O)CCCCCCCCCCNC(=O)C=C~   11.910
18685 CCOC(=O)[CH]1[CH](C)N[CH](C)[CH]([CH]1C)C(=O)OCC~    9.397
18688 COC(=O)C=C(C[N+](C)(C)CC(OC)=CC(=O)OC)OC~   20.056
18689 CCN(CC)CCCNC1=CC(=NC(=C1)C)C~   10.987
18690 CN(C)CCC(CCN(C)C)C1=CC=CC=N1~   11.226
18691 CCCCN(CCOC1=NC(=NC=C1)O)CC(C)C~   12.229
18692 CCCCCCN1C(=O)N(C)C(=C(N(C)C)C1=O)C~   10.253
18694 CCC(CC)C(=O)NC(=O)NC(=O)N1C[CH](C)O[CH](C)C1~   15.924
18695 CC[N+](C)(C)CCOC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C~   22.876
18696 C1CCC(CC1)CCCC2CCCC2~   -0.037
18699 CCCCCCCCCCCC1=NNC=C1~    4.159
18700 C[C]1[CH][CH][CH][CH][C]1N2ON2[C]3[CH][CH][CH][CH][C]3C~    5.326
18702 C1CC[CH]2CN(CCN3CCOCC3)C[CH]2C1~    9.757
18703 C[CH]1CC(C)(C)N[CH](N1)[C]2(C)CCC(=CO2)C~    6.493
18704 C1CO[CH](C1)CN2CCN(CC2)C[CH]3CCCO3~   12.710
18706 C1CN(CCO1)C[CH]2CC[CH](CN3CCOCC3)O2~   14.764
18708 CC(C)OC(=O)N1C[CH](C)N(C[CH]1C)C(=O)OC(C)C~    8.600
18709 CCCCSC(=S)N1CCN(CC1)C(=S)SCCCC~    6.227
18710 CCCCNC1=NC(=C(OCC)C=N1)NCCCC~    8.572
18711 S=C(NCCN1CCOCC1)C(=S)NCCN2CCOCC2~   19.380
18712 C=CCNC(=N)SCCCCCCSC(=N)NCC=C~   14.562
18713 S=C(NCN1CCCCC1)C(=S)NCN2CCCCC2~   10.271
18714 CC(C)CCCC1CCC(C)(CC1)C=O~    3.048
18715 CC(C)(C)[CH]1CCC[CH](C1=O)C(C)(C)C~    3.307
18716 CC(C)CCCC1CCC(CC1)C(C)=O~    3.307
18718 CC(C)C[C](C)(O)C#C[C](C)(O)CC(C)C~    6.613
18719 CC(C)OC(=O)CCCCCCCCC=C~    2.530
18720 CCCCCC(=O)OCCC1CCCCC1~    2.759
18722 CCC[CH]1OC2(CCCCC2)OC[CH]1CC~    3.654
18723 CCCCC1(CC)COC2(CCCC2)OC1~    3.654
18724 CCCCCCCCCCOC(=O)C(C)=C~    2.730
18725 CC(C)[CH]1CC[CH](OC(C)=O)[CH](C1)C(C)C~    2.759
18726 CC(C)[CH]1CCC[CH](C(C)C)[CH]1OC(C)=O~    2.759
18727 CC[CH]1CC[CH]([CH](C1)OC(C)=O)C(C)(C)C~    2.759
18728 CCCCCCC1CCC(CC1)OC(C)=O~    2.759
18729 C[CH](CCC=C(C)C)C[CH]1OCC[CH](C)O1~    3.281
18730 CC(C)C(=O)OC1CCC(CC1)C(C)(C)C~    2.759
18731 C=CCCCCCCCCC1OCCCO1~    3.426
18733 CCCCCCCC(=O)OC1CCCCC1~    2.759
18734 CCCCCCCCCCCC(=O)OC=C~    1.703
18736 CCCCCCCCCC[CH]1CCC(=O)O1~    2.759
18739 CCCCCCC(=O)C(=O)CCCCCC~    5.475
18740 CCCC(=O)OCC[CH](C)CCC=C(C)C~    2.386
18742 C[CH]1CC(C)(C)CC2(C1)OCC(C)(C)CO2~    3.654
18743 CCCCCCCOC(=O)C1(O)CCCCC1~    3.565
18744 CCC(CC)C(=O)OCCCC[CH]1CCCO1~    5.712
18745 CCCCOC(=O)[CH](C)C(=O)CC[CH](C)CC~    5.821
18746 CCCCOC(=O)C[CH](CCC(C)=O)C(C)C~    5.821
18747 CCCCCCC[C]1(OC1(C)C)C(=O)OCC~    4.463
18749 CCCCCCCC(C(=O)OCC)C(=O)OCC~    5.272
18750 CCCCCOC(=O)CCC(=O)OCCCCC~    5.272
18751 CC(C)COC(=O)CCCCC(=O)OCC(C)C~    5.272
18753 CCCCOC(=O)CCCCC(=O)OCCCC~    5.272
18754 CCOC(=O)C(CC)(CCC(C)C)C(=O)OCC~    5.272
18755 CCOC(=O)CCCCCCCCC(=O)OCC~    5.272
18756 OC(=O)CCCCCCCCCCCCC(O)=O~   10.037
18757 CCCCCC(CC)(C(=O)OCC)C(=O)OCC~    5.272
18758 CCC[CH](C)C(CC)(C(=O)OCC)C(=O)OCC~    5.272
18760 CCCCCC(=O)OCCOC(=O)CCCCC~    5.272
18761 CC(C)[CH](CC[CH](C)CCOC(C)=O)OC(C)=O~    5.272
18762 CC1(C)COC(C)(OC1)C2(C)OCC(C)(C)CO2~    7.762
18763 CCCCOC(=O)CCSCCC(=O)OCCCC~    7.367
18765 CCCCCOC(=O)O[CH](C)C(=O)OCCCCC~    3.873
18766 CC(C)CCOC(=O)[CH](O)[CH](O)C(=O)OCCC(C)C~    3.886
18767 CCOCCOC(=O)CCCCC(=O)OCCOCC~    9.381
18768 CCCC(=O)OCCOCCOCCOC(=O)CCC~    9.381
18769 CCCCOC(=O)CCS(=O)(=O)CCC(=O)OCCCC~    9.467
18770 CCCCCCCCCCCCCC#N~    3.038
18772 CCCCCC#CCN(C(C)C)C(C)C~    4.289
18773 CCCCCC#CCN(CCC)CCC~    4.289
18775 CC(C)(N)CO[CH]1C[CH]2CC[C]1(C)C2(C)C~    6.287
18776 CN(C)CCO[CH]1C[CH]2CC[C]1(C)C2(C)C~    5.851
18777 CCN(CC)C(=O)CCCC1CCCCC1~    6.394
18779 CCCCCCCCCC(=O)N1CCOCC1~    8.449
18781 CCN[CH](CCCCC1CCCCC1)C(O)=O~    7.609
18784 CCCCCCCCCC1OCC(C)(CO1)[N+]([O-])=O~    6.541
18786 CCCCN(CCC(=O)OCC)CCC(=O)OCC~    8.824
18787 CCCCC(CCCC)=CC(C)(C)C~   -0.683
18788 C[N+](C)(C)CC1=C(C[N+](C)(C)C)C=CC=C1~   19.076
18789 CN(C)CC#CCNC(C)(C)CC(C)(C)C~    8.058
18790 CCCCCCCCCCCCNCC#N~    6.807
18791 C1CCC(CC1)NCCNC2CCCCC2~    7.783
18794 CCCN1CCN(CCC)[CH]2CCCC[CH]12~    7.346
18795 C[CH]1CCCCCN1CCN2CCCCC2~    7.346
18796 CCCCN(CCCC)CCCCCC#N~    6.588
18799 CCC(=O)NCCCCCCN1CCCCC1~   10.162
18800 CN(C)C[CH]1CCCCC[CH](CN(C)C)C1=O~   10.409
18801 CCN(CC)C(=S)SCCOCCSC(=S)N(CC)CC~    7.924
18803 CCCCN(C[CH](O)[CH](O)CN(CCCC)C(S)=S)C(S)=S~   10.455
18804 CCCCCNC(=O)[CH](O)[CH](O)C(=O)NCCCCC~    8.394
18805 CCN(CC)C(=O)OCCCCOC(=O)N(CC)CC~    8.245
18808 CC(C)N(C(C)C)C(=S)SC(=S)N(C(C)C)C(C)C~    3.777
18809 CC(C)N(C(C)C)C(=S)SSC(=S)N(C(C)C)C(C)C~    3.588
18810 CCC(CC)C=NNC(=N)C(=N)NN=CC(CC)CC~    9.947
18813 CC(C)C(C)(C)C(=O)C(C)(C)C(C)(C)C~    2.951
18814 CCCC[CH](CC)CCC(=O)CC(C)C~    2.951
18816 C[CH](O)CCCC(C)(C)C1CCCCC1~    4.326
18818 CCC[CH](O)[CH]1C[CH](CC[CH]1C)C(C)C~    4.326
18819 CCCCCCCCC(CC)(CC)C(O)=O~    4.785
18821 CCCCCCCCCCCCCC(O)=O~    4.785
18823 CCCCCCCCC[CH]1O[CH](C)[CH](C)O1~    3.298
18825 CCCCCCOC(=O)[CH](CC)CCCC~    2.402
18826 CCCCCCCCCCCC(=O)OCC~    2.402
18828 CCCCCCCCOC(=O)C(CC)CC~    2.402
18829 CCCCCCCC[CH]1O[CH](C)C[CH](C)O1~    3.298
18831 CCCCCCCCCCC1OCCCO1~    3.298
18832 CCCCCCCCCC[CH]1OC[CH](C)O1~    3.298
18833 CCCCCCCCCCOC(=O)C(C)C~    2.402
18835 CCCCCCC[CH]1O[CH](C)CC(C)(C)O1~    3.298
18836 CCCCC[CH]1OCC(C)(C)[CH](O1)C(C)C~    3.298
18837 CCCCCCCCCCCOC(=O)CC~    2.402
18838 CCCCCCCC(=O)OCC(CC)CC~    2.402
18839 CCCCC[CH](CCC)COC(=O)CCC~    2.402
18840 CCCCC[CH](CCC)COC(=O)C(C)C~    2.402
18841 CCCCCCC1OCC(CC)(CC)CO1~    3.298
18842 CCCCCCC1OCC(C)(CCC)CO1~    3.298
18843 CCCCCCCC1(C)OCC(C)(C)CO1~    3.298
18844 CCCCCCCCCCCC1OCCO1~    3.298
18845 CCCCCC1(C)OCC(C)(CCC)CO1~    3.298
18849 CCCCOC(=O)[CH](C)[CH](O)CC[CH](C)CC~    6.839
18850 COC(=O)CCCCCCCCCCCCO~    6.839
18851 C[CH](CCCC(C)(C)O)C[CH]1OCC[CH](C)O1~    7.735
18853 CCCCOCCOCCOC(=O)[CH](C)CCC~    6.511
18855 CCCCOCCOCCOC(=O)C(CC)CC~    6.511
18856 CCCCCC(=O)OCCOCCOCCCC~    6.511
18857 CCCCCCCCCCS(=O)(=O)CC(=O)OCC~    6.597
18859 CCCC[CH](CC)CNC1CCCCC1~    3.658
18861 CCCCCN(CCCCC)C(=O)CCC~    6.038
18862 CCCCCN(CCCCC)C(=O)C(C)C~    6.038
18863 CCCCCCCC(=O)N(CCC)CCC~    6.038
18864 CCCCCCCCCCCCNCC(O)=O~    7.254
18865 CCCCCCCCCCNC(=O)OC(C)C~    5.708
18866 CCCCCCCCS(=O)(=O)NC1CCCCC1~    4.213
18870 C1CC[N+]2(CC1)CC[N+]3(CCCCC3)CC2~   18.231
18872 C1CC[N+]2(CC1)CCC[N+]3(CCCC3)CC2~   18.231
18873 C[N+](C)(C)CCCC#CC[N+]1(C)CCOCC1~   20.780
18874 CC[N+]1(CCCCC1)CCCN2CCOCC2~   17.666
18875 CCC(=O)NCCCC[CH]1CCCC[N+]1(C)C~   18.427
18876 CCCCC[CH](C)N(C)C(=O)CNCC(C)C~    8.507
18877 CC[N+](CC)(CC)CCOC(=O)N1CCCCC1~   17.660
18878 CCN(CC)CCOCC(=O)OCCN(CC)CC~   10.708
18879 CCCCSCN1CCN(CC1)CSCCCC~    5.839
18880 CCCCCCCC[N+]12CN3CN(CN(C3)C1)C2~    8.068
18881 CCN(CC)CCNC(=O)C(=O)NCCN(CC)CC~   15.987
18882 CCCCNC(=N)SCCCCSC(=N)NCCCC~   14.307
18883 CC(C)NCCCNC(=S)C(=S)NCCCNC(C)C~   14.996
18886 CCCCCCC[CH](CO)CCCCC~    3.770
18887 CCCCCC(O)(CCC)CCCCC~    3.770
18889 CCCCCC(O)(CCCC)CCCC~    3.770
18890 CCCCCCOC(C)OCCCCCC~    2.943
18891 CC(C)(C)C[C](C)(O)[C](C)(O)CC(C)(C)C~    5.407
18892 CC(C)C[C](C)(O)CC[C](C)(O)CC(C)C~    5.407
18893 CCCCCCC[CH](C[CH](OC)OCC)OC~    4.996
18895 CC(C)(C)CS(=O)(=O)OCCCCOS(=O)(=O)CC(C)(C)C~    8.303
18896 CC(C)CCS(=O)(=O)OCCCCOS(=O)(=O)CCC(C)C~    8.303
18901 CCCCCCCCCCCCN(C)C~    3.084
18903 CCCCCCCCCCN(CC)CC~    3.084
18904 CCCCCC(N)(CCCC)CCCC~    3.521
18905 C[CH](C[CH](O)CCCN(C)C)CC(C)(C)C~    7.521
18906 CCCC[N+](CCCC)(CCCC)CC(O)=O~   15.300
18908 CCN(CC)CCN(CCN(CC)CC)C(C)=O~   13.139
18909 CCCN(CCC)CCCCCCCCN~    7.072
18911 OCCN(CCO)CCCCCCN(CCO)CCO~   15.382
18912 C[N+](C)(CCCCCC[N+](C)(C)CC(O)=O)CC(O)=O~   25.068
18913 C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C~   22.903
18915 CCN(CC)CCSCCSCCN(CC)CC~   10.824
18916 CC[N+](C)(CC)CC[N+]1(C)CCCCCC1~   17.520
18917 OC1=C2C(=O)C3=C(C(=O)C2=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(=CC(=C3O)[N+]([O-])=O)[N+]([O-])=O~   12.879
18918 OC1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3O)S(O)(=O)=O)[N+]([O-])=O)[N+]([O-])=O)S(O)(=O)=O~   27.733
18920 [O-][N+](=O)C1=CC=C2C3=C(C=C(C=C3)[N+]([O-])=O)C(=O)C(=O)C2=C1~   13.377
18921 [O-][N+](=O)C1=CC=CC2=C1C(=O)C3=C(C=CC=C3[N+]([O-])=O)C2=O~   13.305
18922 [O-][N+](=O)C1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)[N+]([O-])=O~   13.305
18924 [O-][N+](=O)C1=CC(=C(C=C1)C(=O)C(=O)C2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O~   17.728
18925 OC1=NC2=C(C=N1)N=C3C=C4OC5=NC(=NC=C5N=C4C=C3O2)O~   18.740
18926 [O-][N+](=O)C1=CC(=C(SC2=NN=C(S2)SC3=C(C=C(C=C3)[N+]([O-])=O)[N+]([O-])=O)C=C1)[N+]([O-])=O~   19.893
18927 [O-][N+](=O)C1=CC(=C(NC(=O)C(=O)NC2=C(C=C(C=C2[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)C(=C1)[N+]([O-])=O)[N+]([O-])=O~   21.967
18928 O=C1C2=C(C=CC=C2)C3=NSC4=CC=CC1=C34~    9.280
18930 [O-][N+](=O)C1=C2C(=CC=C1)C(=O)C(=O)C3=C2C=CC=C3~   10.975
18931 [O-][N+](=O)C1=CC=CC2=C1C(=O)C3=C(C=CC=C3)C2=O~   10.903
18932 [O-][N+](=O)C1=CC2=C(C=C1)C3=CC=CC=C3C(=O)C2=O~   10.975
18933 OC1=CC=C(C2=C1C(=O)C3=CC=CC=C3C2=O)[N+]([O-])=O~   11.785
18934 OC1=C(O)C2=C(C=C1[N+]([O-])=O)C(=O)C3=C(C=CC=C3)C2=O~   12.267
18935 OS(=O)(=O)C1=C2C(=O)C3=CC=CC(=C3C(=O)C2=CC=C1)[N+]([O-])=O~   17.232
18937 OS(=O)(=O)C1=CC2=C(C(=O)C3=CC=CC=C3C2=O)C(=C1)[N+]([O-])=O~   17.232
18938 OS(=O)(=O)C1=CC=CC2=C1C(=O)C3=C(C=CC=C3[N+]([O-])=O)C2=O~   17.232
18941 [O-][N+](=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+]([O-])=O~   12.086
18942 N#CC1=C2C=CC=CC2=NC3=CC=CC=C13~    9.188
18943 O=C1N2C(=NC3=C1C=CC=C3)SC4=C2C=CC=C4~   10.740
18944 NC1=CC=C2SN=C3C4=C(C=CC=C4)C(=O)C1=C23~   10.232
18945 NC1=CC=CC2=C1C(=O)C3=C4C(=CC=C3)SN=C24~   12.730
18946 O=C1N2C(=NC3=C1C=CC=C3)OC4=C2C=CC=C4~   10.432
18947 O1C(=NC2=CC=CC=C12)SSC3=NC4=CC=CC=C4O3~   12.103
18949 O=C1C=CC(=O)N1C2=CC(=CC=C2)N3C(=O)C=CC3=O~   15.903
18950 NC1=CC=C(C2=C1C(=O)C3=CC=CC=C3C2=O)[N+]([O-])=O~   14.354
18951 NC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)[N+]([O-])=O~   14.354
18952 O=C=NC1=CC=CC(=C1)S(=O)(=O)C2=CC(=CC=C2)N=C=O~    9.333
18953 OC1=C(C=C(C=C1)N2C(=O)C=CC2=O)N3C(=O)C=CC3=O~   19.886
18954 OC(=O)C1=C(C(=CC=C1)[N+]([O-])=O)C2=C(C=CC=C2[N+]([O-])=O)C(O)=O~   17.583
18955 N#CC1=CC=C(SSC2=CC=C(C=C2)C#N)C=C1~    8.345
18956 S(SC1=NC2=CC=CC=C2S1)C3=NC4=C(S3)C=CC=C4~   12.631
18957 CC1=CN(C2=C1C=CC=C2)C(C#N)=C(C#N)C#N~   12.863
18960 S1C(=NC2=C1N=C(S2)C3=CC=CN=C3)C4=CN=CC=C4~   17.570
18961 S1C2=C(SC(=N2)C3=CC=CC=N3)N=C1C4=NC=CC=C4~   17.570
18962 S1C(=NC2=C1N=C(S2)C3=CC=NC=C3)C4=CC=NC=C4~   17.570
18963 NC1=NC(=C2N=C3C=C4OC5=C(N=C4C=C3OC2=N1)C(=NC(=N5)N)O)O~   22.093
18964 OC1=C(C=CC2=C1C(=O)C3=C(C(=C(C=C3)S(O)(=O)=O)O)C2=O)S(O)(=O)=O~   22.924
18965 OC1=C(O)C(=C(O)C2=C1C(=O)C3=C(C(=C(O)C(=C3O)S(O)(=O)=O)O)C2=O)S(O)(=O)=O~   32.656
18968 O=C1C(=O)C2=CC=CC=C2C3=C1C=CC=C3~    8.569
18969 SC1=CC=CC2=C1C(=O)C3=C(C=CC=C3)C2=O~    9.511
18970 OC1=CC2=C(C=C1)C(=O)C3=C(C=CC=C3)C2=O~   12.480
18971 OC1=CC=CC2=C1C(=O)C3=C(C=CC=C3)C2=O~    9.381
18972 OC(=O)C1=CC=CC2=C1C(=O)C3=CC=CC=C23~   10.866
18973 OC(=O)C1=C2C(=CC=C1)C(=O)C3=C2C=CC=C3~   10.866
18979 OC(=O)C1=CC=CC2=C1OC3=CC=CC=C3C2=O~   11.411
18980 OC1=CC2=C(C=C1)C(=O)C3=C(C=CC(=C3)O)C2=O~   16.463
18981 OC1=CC=CC2=C1C(=O)C3=C(C=CC=C3O)C2=O~   10.264
18982 OC1=CC=C(O)C2=C1C(=O)C3=C(C=CC=C3)C2=O~   10.264
18983 OC1=C(O)C2=C(C(=C1)O)C(=O)C3=C(C=CC=C3)C2=O~   14.246
18984 OC1=CC2=C(C(=C1O)O)C(=O)C3=C(C=CC=C3)C2=O~   17.346
18985 OC1=CC2=C(C=C1)C(=O)C3=C(C(=C(O)C=C3)O)C2=O~   17.346
18986 OC1=CC=CC2=C1C(=O)C3=C(C(=CC=C3O)O)C2=O~   11.146
18987 OC1=C(O)C2=C(C=C1)C(=O)C3=C(C(=CC=C3)O)C2=O~   14.246
18988 OS(=O)(=O)C1=CC2=C(C=C1)C(=O)C3=C(C=CC=C3)C2=O~   14.830
18990 OC1=C(O)C2=C(C=C1)C(=O)C3=C(C(=CC=C3O)O)C2=O~   15.129
18991 OC1=C(O)C2=C(C(=C1)O)C(=O)C3=C(C(=CC=C3O)O)C2=O~   16.011
18992 OC1=CC(=C(O)C2=C1C(=O)C3=C(C=CC=C3)C2=O)S(O)(=O)=O~   16.593
18994 OS(=O)(=O)C1=C2C(=O)C3=CC=CC(=C3C(=O)C2=CC=C1)S(O)(=O)=O~   21.159
18995 OS(=O)(=O)C1=C2C(=O)C3=C(C=CC=C3C(=O)C2=CC=C1)S(O)(=O)=O~   21.159
18997 OS(=O)(=O)C1=CC2=C(C=C1)C(=O)C3=C(C=C(C=C3)S(O)(=O)=O)C2=O~   21.159
18998 NC1=CC2=C(C=C1)C(=O)C3=C(C=CC=C3)C2=O~   11.951
18999 OC(=O)C1=C2C=CC=CC2=NC3=C1C=CC=C3~   11.870
19002 O=C1OC(=NC2=C1C=CC=C2)C3=CC=CC=C3~    6.676
19004 OC(=O)C1=C2C(=NC=C1)C=CC3=C2C=CC=C3~   11.870
19005 OC(=O)C1=C(C=CC=C1)C2=C(C=CC=C2)C#N~   10.095
19007 O=C1C=CC(=O)N1C2=C3C=CC=CC3=CC=C2~    8.498
19008 O=C1C(C2=CC=CC=N2)C(=O)C3=C1C=CC=C3~   12.203
19009 OC1=C(C(=O)C2=C1C=CC=C2)C3=CC=CC=N3~   13.747
19010 [O-][N+](=O)C1=C2C=CC=CC2=CC3=C1C=CC=C3~    6.693
19011 ON=C1C(=O)C2=CC=CC=C2C3=C1C=CC=C3~    9.480
19012 O=C1C=C(OC2=C1C=CC=C2)C3=CC=CN=C3~   10.325
19014 NC1=CC=C(O)C2=C1C(=O)C3=C(C=CC=C3)C2=O~   12.833
19015 [O-][N+](=O)C1C2=C(C=CC=C2)C(=O)C3=C1C=CC=C3~    9.348
19016 OC1=C(C=CC=C1)N2C(=O)C3=C(C=CC=C3)C2=O~   11.261
19017 NC1=C(S)C=C(O)C2=C1C(=O)C3=C(C=CC=C3)C2=O~   13.845
19019 OC(=O)C1=C2NC3=C(C=CC=C3C2=CC=C1)C(O)=O~   15.830
19020 NC1=CC2=C(C(=C1O)O)C(=O)C3=C(C=CC=C3)C2=O~   16.815
19021 O=C1N(C(=O)C2=CC=CC=C12)S(=O)(=O)C3=CC=CC=C3~    8.903
19022 NC1=C(C=CC2=C1C(=O)C3=C(C=CC=C3)C2=O)S(O)(=O)=O~   18.280
19024 OC(=O)C1=C(C=CC=C1)C(=O)C2=CC(=C(O)C=C2)[N+]([O-])=O~   13.295
19026 OC(=O)C1=C(C=CC=C1)C(=O)OC2=CC=C(C=C2)[N+]([O-])=O~   11.991
19028 COC1=CC=C(C=C1)C2=C(C#N)C(=NC(=C2C#N)O)O~   19.489
19030 N#CSC1=CC=C(NC2=CC=C(SC#N)C=C2)C=C1~   11.556
19031 [O-][N+](=O)C1=CC(=C(NN=C2C(=O)NC3=C2C=CC=C3)C=C1)[N+]([O-])=O~   14.975
19032 O=C(OC1=C2N=CC=CC2=CC=C1)C3=CC=CN=C3~   11.668
19033 O=C=NC1=CC=C(CC2=CC=C(C=C2)N=C=O)C=C1~    6.048
19034 [O-][N+](=O)C1=C(N=C2C=CC=CC2=C1)C3=CC=CC=C3~    9.680
19035 O=C1NC(=O)C2(N1)C3=C(C=CC=C3)C4=CC=CC=C24~   11.447
19036 [O-][N+](=O)C1=CC=C(SC2=CC3=C(C=C2)N=CC=C3)C=C1~   10.801
19037 OC(=O)C1=NN(C2=CC=CC=C2)C(=O)C3=C1C=CC=C3~   11.780
19039 CNC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)[N+]([O-])=O~   14.012
19040 [O-][N+](=O)C1=CC=CC(=C1)[CH](OC(=O)C2=CC=CC=C2)C#N~    7.519
19041 COC1=C(C=C(C=C1)N2C(=O)C=CC2=O)N3C(=O)C=CC3=O~   17.133
19042 OC(=O)C(=CC1=CC=C(C=C1)[N+]([O-])=O)C2=CC=C(C=C2)[N+]([O-])=O~   14.045
19043 C(SC1=NC2=C(S1)C=CC=C2)SC3=NC4=CC=CC=C4S3~   14.793
19044 OC1=C(C=CC=C1)C2=NC3=NC4=CC=CC=C4N=C3N2~   15.810
19046 S=C(SC1=NC2=CC=CC=C2N1)SC3=NC4=CC=CC=C4N3~   15.003
19047 [O-][N+](=O)C1=CC(=CC(=C1)C(=O)NNC(=O)NNC(=O)C2=CC(=CC(=C2)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O~   30.197
19049 O=CC1=C2C=CC=CC2=C3C=CC=CC3=C1~    6.893
19050 S=C1C=C(OC2=C1C=CC=C2)C3=CC=CC=C3~    4.457
19052 OC1=CC=C2C=CC3=C(C=CC=C3)C2=C1C=O~    7.775
19053 OC(=O)C1=C2C=CC=CC2=C3C=CC=CC3=C1~    8.987
19054 O=C1OC(=CC2=CC=CC=C2)C3=C1C=CC=C3~    5.678
19055 O=C1OC2=CC=CC=C2C=C1C3=CC=CC=C3~    6.507
19056 O=C1C=C(OC2=C1C=CC=C2)C3=CC=CC=C3~    7.442
19057 O=C(C1=CC2=CC=CC=C2O1)C3=CC=CC=C3~    6.724
19059 CC1=C(S)C2=C(C=C1)C(=O)C3=C(C=CC=C3)C2=O~    9.469
19060 COC(=O)C1=C2C(=O)C3=CC=CC=C3C2=CC=C1~    8.361
19061 OC(=O)C1=CC2=C(C=C1O)C=C3C=CC=CC3=C2~    9.870
19062 O=C(C1=CC=CC=C1)C(=O)C(=O)C2=CC=CC=C2~   10.511
19063 OC1=CC(=CC=C1)C2=CC(=O)C3=C(O2)C=CC=C3~   11.425
19065 OC1=CC2=C(OC(=CC2=O)C3=CC=CC=C3)C=C1~   11.425
19066 OC1=CC=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3~    8.325
19067 CC1=C(O)C2=C(C=C1)C(=O)C3=C(C=CC=C3)C2=O~    9.338
19068 OC(=O)C1=CC2=C(O)C3=C(C=CC=C3)C(=C2C=C1)O~   16.951
19070 OC(=O)C1=CC=C(C=C1)C(=O)C2=C(C=CC=C2)C(O)=O~   15.104
19071 OCC1=C(O)C2=C(C=C1O)C(=O)C3=C(C=CC=C3)C2=O~   17.757
19072 OC1=CC=C(C=C1)C2=COC3=C(C(=CC(=C3)O)O)C2=O~   16.291
19073 OCC1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC=C3O)C2=O~   14.658
19074 OC1=CC2=C(C(=C1)O)C(=O)C(=C(O2)C3=CC(=C(O)C=C3)O)O~   20.180
19075 OC1=CC(=C(C=C1)C2=C(O)C(=O)C3=C(O2)C=C(O)C=C3O)O~   20.180
19077 N#CC(=CC1=CC=CC=C1)C2=CC=CC=C2~    6.559
19078 NC(=O)C1=C2C=CC=CC2=C3C=CC=CC3=C1~   10.676
19080 O1N=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3~    6.476
19081 O=C([CH](C#N)C1=CC=CC=C1)C2=CC=CC=C2~    9.483
19083 ON=CC1=C2C=CC=CC2=CC3=C1C=CC=C3~    8.467
19084 OC1=C2C=CC=CC2=NC(=C1)C3=CC=CC=C3~   11.260
19085 O1C(=CN=C1C2=CC=CC=C2)C3=CC=CC=C3~    7.382
19086 O=C1NC(=C(S1)C2=CC=CC=C2)C3=CC=CC=C3~    8.178
19087 O=C(NC1=CC=CC=C1)C2=CC3=CC=CC=C3S2~   10.188
19088 CC1=C(C=CC=C1)N2C(=O)C3=C(C=CC=C3)C2=O~    7.236
19090 CNC1=CC=CC2=C1C(=O)C3=C(C=CC=C3)C2=O~   11.607
19091 O=C1OC(=N[CH]1C2=CC=CC=C2)C3=CC=CC=C3~    6.302
19092 CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=O~   12.110
19093 OC1=NC2=CC=CC=C2C(=C1C3=CC=CC=C3)O~   15.243
19094 CC1=CC=CC(=C1)N2C(=O)C3=C(C=CC=C3)C2=O~    7.236
19095 CC(=O)NC1=C2C(=CC=C1)C(=O)C3=C2C=CC=C3~   12.110
19097 CC1=C(N)C2=C(C=C1)C(=O)C3=C(C=CC=C3)C2=O~   11.907
19098 O=C(CC1=NC2=C(C=CC=C2)C=C1)C3=CC=CO3~    9.996
19099 CC1=C(C2=CC(=O)C=CC2=O)C3=CC=CC=C3N1~   14.004
19100 CC1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=N3~   12.080
19101 CC1=CC=C(C=C1)N=C2OC(=O)C3=C2C=CC=C3~    6.635
19102 C1OC2=CC=C(CC3=NC4=CC=CC=C4S3)C=C2O1~   10.412
19106 OC(=O)CNC1=CC2=C(C=C1)C3=CC=CC=C3C2=O~   13.108
19107 O=C1NC(C(=O)O1)(C2=CC=CC=C2)C3=CC=CC=C3~    9.117
19108 NC(=O)[C]1(OC(=O)C2=C1C=CC=C2)C3=CC=CC=C3~   11.959
19109 [O-][N+](=O)C1=CC(=CC=C1)C=CC(=O)C2=CC=CC=C2~    9.039
19111 OC(=O)C(=CC1=C(C=CC=C1)[N+]([O-])=O)C2=CC=CC=C2~   11.640
19113 CC(=O)O[CH]1C2=CC=CC=C2C3=C1C=C(C=C3)[N+]([O-])=O~    8.804
19115 [O-][N+](=O)C1=C(C=CC=C1)[CH]2O[CH]2C(=O)C3=CC=CC=C3~   10.442
19116 CC(=O)OC1=C(C=CC(=C1)[N+]([O-])=O)C(=O)OC2=CC=CC=C2~    9.215
19117 S1C=CC=C1C=NC2=CC=CC3=C2C=CC=C3~    5.282
19118 S1C=CC=C1C=NC2=CC3=C(C=CC=C3)C=C2~    5.282
19120 C1=CC=C(N=C1)C2=CC=CC(=N2)C3=CC=CC=N3~   13.148
19121 OC1=C(N=NC2=CC=CC=N2)C3=C(C=CC=C3)C=C1~   12.710
19123 OC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3~   12.023
19124 C1OC2=CC=C(C=NNC3=NC4=CC=CC=C4S3)C=C2O1~   13.479
19125 [O-][N+](=O)C1=C(CN2C=NC3=C(C=CC=C3)C2=O)C=CC=C1~   12.592
19126 OS(=O)(=O)C1=CC=C(C=C1)N=NC2=C3C=CC=CC3=NC=C2~   15.057
19127 OC1=C(N=NC2=CC=C(C=C2)S(O)(=O)=O)C(=C3C=CC=CC3=N1)O~   23.022
19128 CN(SC1=NC2=CC=CC=C2S1)SC3=NC4=CC=CC=C4S3~   13.762
19129 NC1=NC(=C2N=CN(C3=CC4=C(C=CC=C4)C=C3)C2=N1)O~   17.037
19130 [O-][N+](=O)C1=CC(=CC(=C1)C(=O)OC[CH](N=[N+]=[N-])C2=CC=CC=C2)[N+]([O-])=O~   12.854
19132 CC1=C2C(=CC=C1)C=CC3=C2C=CC=C3~    4.246
19134 N(C1=CC=CC=C1)C2=NC3=CC=CC=C3C=C2~    9.873
19137 ON=CC1=C(NC2=C1C=CC=C2)C3=CC=CC=C3~   11.346
19138 O=C1N[CH](C2=CC=CC=C2)C(=N1)C3=CC=CC=C3~    8.833
19139 O=C1NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3~   11.368
19140 CC1=NC2=C(C=CC=C2)C(=O)N1C3=CC=CC=C3~    8.602
19141 CC(=O)N(C1=CC=CC=C1)C2=NC3=CC=CC=C3S2~   11.656
19142 CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2~   13.483
19143 O=C1NC(=O)C(N1)(C2=CC=CC=C2)C3=CC=CC=C3~   10.991
19144 O=CNC1=CC2=C(C=C1)C3=C(NC=O)C=CC=C3C2~   12.186
19145 N=C1NC(=O)C(O1)(C2=CC=CC=C2)C3=CC=CC=C3~   12.879
19146 O=C1N(CCC2=CC=CC=N2)C(=O)C3=C1C=CC=C3~   11.502
19147 CNC1=CC=CC2=C1C(=O)C3=C(C(=CC=C3)N)C2=O~   15.059
19148 O=C1N(CNC2=CC=CC=C2)C(=O)C3=C1C=CC=C3~    9.395
19149 COC1=C(NC(=O)SC2=NC3=CC=CC=C3S2)C=CC=C1~   12.456
19150 O=C(NN=CC1=CC2=C(OCO2)C=C1)C3=CC=CC=C3~   12.255
19151 CN(C)C1=CC2=C(C=C1[N+]([O-])=O)C3=CC=CC=C3C2=O~    9.032
19152 CN(C=O)C1=CC2=C(C=C1)C3=CC=C(C=C3C2)[N+]([O-])=O~   10.674
19154 O=C1N(CC2=CC3=C(OCO3)C=C2)NC4=C1C=CC=C4~   14.321
19155 O1C=CC=C1C=NC(N=CC2=CC=CO2)C3=CC=CO3~    4.277
19157 OS(=O)(=O)C1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3~   13.870
19158 [O-][N+](=O)C1=CC=C(NC(=O)CC(=O)C2=CC=CC=C2)C=C1~   14.489
19159 OC(=O)C1=C(NC(=O)NC2=C(C=CC=C2)C(O)=O)C=CC=C1~   19.347
19160 CN(C)C1=CC=C2N=C3C(=C(O)C(=O)C=C3C(O)=O)OC2=C1~   14.573
19161 CCOC(=O)C1=C(C2=CC=CC=C2)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O~   10.259
19162 OC(=O)C=CC(=O)NC1=CC=CC(=C1C(O)=O)NC(=O)C=CC(O)=O~   26.863
19163 N#CCCN1C2=C(SC3=C1C=CC=C3)C=CC=C2~    9.503
19164 S=C1N[CH](C2=CC=CC=C2)C(=N1)C3=CC=CC=C3~    6.195
19166 NC1=NC(=NC(=N1)C2=CC=CC=C2)C3=CC=CC=C3~    8.049
19168 O=C1NN=C(C2=CC=CC=C2)C(=NN1)C3=CC=CC=C3~   11.125
19169 C(SC1=NC(=C2N=CNC2=N1)SCC3=CC=CO3)C4=CC=CO4~   11.780
19170 [O-][N+](=O)C1=CC=C(NC(=O)CC(=O)NC2=CC=C(C=C2)[N+]([O-])=O)C=C1~   16.893
19171 N=C1SC=C(N1N=CC2=CC=CN=C2)C3=CC=CC=C3~   12.883
19172 [O-][N+](=O)C1=CC=C(C=C1)C=NNC(=S)NN=CC2=CC=C(C=C2)[N+]([O-])=O~   12.939
19173 NC1=C(C=C(C=C1)S(=O)(=O)NC2=NC=CS2)N=NC3=C(C=CC=C3)[N+]([O-])=O~   18.200
19174 [O-][N+](=O)C1=C(C=CC=C1)C=NNC(=O)NN=CC2=C(C=CC=C2)[N+]([O-])=O~   15.577
19176 OCC1=C2C=CC=CC2=C3C=CC=CC3=C1~    8.684
19178 CC(=O)C1=CC2=C(C=C1)C3=CC=CC=C3C2~    6.516
19180 O=C1C2=C(CCC3=C1C=CC=C3)C=CC=C2~    5.983
19181 OC(=O)CC1C2=C(C=CC=C2)C3=CC=CC=C13~    8.783
19182 O=C(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2~    8.883
19183 OC(=O)C1=C(C=CC=C1)C=CC2=CC=CC=C2~    8.604
19184 O=C([CH]1O[CH]1C2=CC=CC=C2)C3=CC=CC=C3~    8.039
19185 C1OC2=CC=C(C=CC3=CC=CC=C3)C=C2O1~    6.842
19187 COC1=CC2=C(C=C1)C(=O)C3=C(C2)C=CC=C3~    7.333
19189 OC1=C(C=CC=C1)C(=O)C=CC2=CC=CC=C2~    7.519
19190 O=C(OC1=CC=CC=C1)C=CC2=CC=CC=C2~    5.815
19192 COC(=O)C1C2=C(C=CC=C2)C3=CC=CC=C13~    6.400
19193 OC=C1CCC2=C(C=CC3=C2C=CC=C3)C1=O~    9.951
19194 OC1=C(C=CC=C1)C=CC(=O)C2=CC=CC=C2~   10.618
19195 OC(=O)C(=CC1=CC=CC=C1)C2=CC=CC=C2~    9.237
19196 C[C]1(OC(=O)C2=C1C=CC=C2)C3=CC=CC=C3~    5.866
19197 COC1=CC2=C(C=C1C)C(=O)C3=CC=CC=C23~    7.355
19198 O=C1C[CH](OC2=C1C=CC=C2)C3=CC=CC=C3~    7.684
19199 O=C(SCSC(=O)C1=CC=CC=C1)C2=CC=CC=C2~    8.684
19200 OC(=O)C(=CC1=CC=CC(=C1)O)C2=CC=CC=C2~   13.220
19201 OC(=O)[CH]1OC2=CC=CC=C2[CH]1C3=CC=CC=C3~    9.181
19202 COC(=O)C1=C(C=CC=C1)C(=O)C2=CC=CC=C2~    7.903
19204 CC1=CC=C(C=C1)C(=O)C2=C(C=CC=C2)C(O)=O~   10.366
19206 OC(=O)C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~   10.848
19207 O=C(COC(=O)C1=CC=CC=C1)C2=CC=CC=C2~    7.485
19209 CC(=O)OC1=CC2=C(CCC2=O)C3=C1C=CC=C3~    8.251
19210 CC1=C(C=CC=C1)C(=O)C2=C(C=CC=C2)C(O)=O~   10.366
19211 O=C(CC1=CC=CC=C1)C2=CC3=C(OCO3)C=C2~    9.036
19213 CC(=O)C1=C(OC(=O)C2=CC=CC=C2)C=CC=C1~    7.631
19214 OC1=C(C=CC=C1)C(=O)CC(=O)C2=CC=CC=C2~    9.767
19215 OC(=O)C(=CC1=CC=C(O)C=C1)C2=CC=CC=C2~   13.220
19216 OC1=CC=C2[CH](CC(=O)OC2=C1)C3=CC=CC=C3~    9.577
19217 COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2~    9.340
19218 CC(=O)C[C]1(O)C(=O)C2=CC=CC3=CC=CC1=C23~   10.311
19221 O=C(OCC1=CC2=C(OCO2)C=C1)C3=CC=CC=C3~    8.487
19222 OC(=O)C1=CC=CC(=C1)CC2=CC=CC(=C2)C(O)=O~   12.712
19223 OC1=CC=CC(=C1)C(=O)C=CC2=C(O)C=C(O)C=C2~   18.583
19224 OC(=O)C(C(O)=O)(C1=CC=CC=C1)C2=CC=CC=C2~   13.577
19225 O[CH](C(=O)C1=CC2=C(OCO2)C=C1)C3=CC=CC=C3~    9.842
19226 COC1=CC=C(C=C1)C(=O)C2=C(C=CC=C2)C(O)=O~   11.636
19229 OC(=O)C1=CC=C(CC2=C(C=CC=C2)C(O)=O)C=C1~   12.712
19230 OC1=C(O)C=C(C=C1)C=CC(=O)C2=C(O)C=CC=C2~   15.483
19231 OC1=CC2=C(C(=O)C[CH](O2)C3=CC=CC=C3)C(=C1)O~   12.550
19232 CC(=O)OC1=C(C=CC=C1C(O)=O)C2=CC=CC=C2~   10.000
19236 OC(=O)C1=C(O)C=CC(=C1)CC2=CC=C(O)C(=C2)C(O)=O~   14.476
19237 O[CH]1[CH](OC2=C(C(=CC(=C2)O)O)C1=O)C3=CC=C(O)C(=C3)O~   21.322
19238 O[CH]1[CH](OC2=CC(=C(O)C=C2C1=O)O)C3=CC=C(O)C(=C3)O~   24.423
19240 N#C[CH](CC1=CC=CC=C1)C2=CC=CC=C2~    6.578
19243 C(C1=CC=CC=C1)C2=CNC3=C2C=CC=C3~    7.103
19244 C1CC(=CC2=CC=CC=N2)C3=C1C=CC=C3~    6.910
19245 NC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2~   10.087
19246 O=C(NC1=CC=CC=C1)C=CC2=CC=CC=C2~    9.836
19247 CC(=O)NC1=C2CC3=CC=CC=C3C2=CC=C1~    9.717
19248 CC(=O)NC1=CC2=C(CC3=C2C=CC=C3)C=C1~    9.717
19249 CC(=O)NC1=C2C(=CC=C1)CC3=C2C=CC=C3~    9.717
19250 CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2~    9.717
19251 CC(=O)NC1C2=C(C=CC=C2)C3=CC=CC=C13~   10.253
19252 CN(C)C1=CC2=C(C=C1)C3=CC=CC=C3C2=O~    7.967
19253 CCNC1=CC2=C(C=C1)C3=CC=CC=C3C2=O~    9.157
19254 CN(C=O)C1=CC2=C(C=C1)C3=CC=CC=C3C2~    8.269
19255 NC1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2~   10.087
19257 COC1=CC=C(C=C1)[CH](C#N)C2=CC=CC=C2~    7.928
19259 COC1=CC=C(CC2=C(C=CC=C2)C#N)C=C1~    6.562
19260 C1CNC2=C(C1)C3=C(C=C2)C4=C(O3)C=CC=C4~    7.590
19261 CC(=O)N1CC2=CC=CC=C2C3=C1C=CC=C3~    8.449
19262 CC(=S)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2~    8.039
19263 CCOC1=C(C=CC=C1)C2=NC3=CC=CC=C3S2~    8.646
19264 O=C(C[N+]1=C2C=CC=CC2=CC=C1)C3=CC=CS3~   14.975
19268 CC(=O)NC1=CC2=C(C=C1)C3=C(O)C=CC=C3C2~   13.701
19269 CC(=O)C1=CC=C(NC(=O)C2=CC=CC=C2)C=C1~   11.654
19270 CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3[CH]2O~   14.154
19271 CC(=O)O[CH]1C2=CC=CC=C2C3=C1C=C(N)C=C3~    9.851
19273 NC(=O)C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~   12.538
19275 CC(=O)NC1=CC=C(C=C1)C(=O)C2=CC=CC=C2~   11.654
19276 NC1=CC=C(C=C1)C=CC2=CC=C(C=C2)C(O)=O~   12.056
19277 CC(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2~   10.799
19278 O=C1N[CH](O[CH]1C2=CC=CC=C2)C3=CC=CC=C3~   10.056
19279 OC1=CC(=C2C=CC=CC2=C1O)[N+]3=CC=CC=C3~   22.567
19280 OC1=CC(=C(O)C=C1)[N+]2=CC3=CC=CC=C3C=C2~   22.567
19284 CC(=O)N(O)C1=CC2=C(C=C1)C3=CC=CC=C3C2~   11.446
19285 CC(=O)NC1=CC2=C(C=C1O)C3=C(C2)C=CC=C3~   13.701
19286 COC1=CC=CC(=C1OC)C2=NC3=CC=CC=C3S2~    9.996
19287 CCOC1=CC(=CC=C1O)C2=NC3=CC=CC=C3S2~   12.629
19288 O=C(CNC(=O)C1=CC=CC=C1)SC2=CC=CC=C2~   10.785
19289 COC1=CC=C(C=C1OC)C2=NC3=CC=CC=C3S2~    9.996
19291 OC(=O)[CH](C(=O)NC1=CC=CC=C1)C2=CC=CC=C2~   14.432
19293 OC1=CC=CC(=C1)N2C(=O)[CH]3[CH]4C[CH](C=C4)[CH]3C2=O~   11.019
19294 OC(=O)COC1=C(C=CC=C1)C(=O)NC2=CC=CC=C2~   14.420
19295 OC(=O)C1=CC=C(NC(=O)OCC2=CC=CC=C2)C=C1~   13.450
19296 CCOC(=O)N1C2=C(C=CC=C2)S(=O)(=O)C3=CC=CC=C13~   10.503
19297 O=C1[CH]2[CH]3C[CH](C=C3)[CH]2C(=O)N1OS(=O)(=O)C4=CC=CC=C4~   10.971
19298 CC1=CC=C(S1)C=C(C#N)C2=CC=C(C)C=C2~    6.740
19299 C(NC1=C2C=CC=CC2=CC=C1)C3=CC=CS3~    7.747
19300 C(CC1=CC=CC=C1)C2=NC3=CC=CC=C3S2~    7.355
19301 N(NC1=NC2=CC=CC=C2C=C1)C3=CC=CC=C3~   12.251
19303 CN1C=CN=C1C(=O)NC2=C3C=CC=CC3=CC=C2~   11.752
19304 COC1=CC=C(C=C1)C=NNC2=NC3=CC=CC=C3S2~   11.772
19305 COC1=C(C=CC=C1)C=NNC2=NC3=CC=CC=C3S2~   11.772
19307 [O-][N+](=O)C1=CC=C(C=C1)C(=NC2=CC=CC=C2)N3CC3~   10.071
19308 COC1=CC=CC(=C1O)C=NNC2=NC3=CC=CC=C3S2~   15.754
19309 NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=CC=C3~   14.347
19313 NC(=O)C1=C(NC(=O)CC2=C(C=CC=C2)[N+]([O-])=O)C=CC=C1~   14.893
19315 CC(=O)NC1=CC=CC(=C1)NC2=C(C=CC(=C2)[N+]([O-])=O)C(O)=O~   19.020
19316 C(C=NNC1=NC2=CC=CC=C2S1)C3=CC=CC=C3~   10.421
19317 NC1=NC(=NC(=N1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3~   11.298
19318 CC(=CC1=CC=CC=C1)C2=CC=CC=C2~    3.712
19319 CC=C(C1=CC=CC=C1)C2=CC=CC=C2~    3.712
19321 N#CN(CC1=CC=CC=C1)CC2=CC=CC=C2~    5.983
19323 CC1=CC=CC(=C1)CC2=NC3=CC=CC=C3N2~    7.444
19324 C(C1=C2C=CC=CC2=NC=C1)[N+]3=CC=CC=C3~   14.810
19325 CC1=CC=C(C=C1)N=C=NC2=CC=C(C)C=C2~    4.609
19326 C(CC1=CC=CC=C1)N2C=NC3=CC=CC=C23~    6.077
19329 C(N=CC1=CC=CC=C1)N=CC2=CC=CC=C2~    3.181
19331 N#C[CH](CCC1=CC=NC=C1)C2=CC=CC=C2~    9.338
19333 CN(C)C1=CC2=C(NC3=C(C=CC=C3)C2=O)C=C1~   10.564
19334 CC(=O)NC1=CC2=C(C=C1N)C3=C(C2)C=CC=C3~   13.169
19338 CCC1=CC=C(C=CC2=CC=C(C=C2)[N+]([O-])=O)N=C1~    9.029
19339 O=C(CC(=O)NC1=CC=CC=C1)NC2=CC=CC=C2~   12.086
19340 CN(C)C1=CC2=C(C=C1[N+]([O-])=O)C3=CC=CC=C3C2~    6.638
19341 CCC(=CC1=CC(=CC=C1)[N+]([O-])=O)C2=CC=NC=C2~    8.876
19343 O=C1N(CC[N+]2=CC=CC=C2)C(=O)C3=C1C=CC=C3~   16.215
19345 CC1=CC=C(C=C1)N=CC2=C(N)C=C3OCOC3=C2~   10.351
19346 NC(=O)SCC(=O)NC1=C(C=CC=C1)C2=CC=CC=C2~   11.103
19347 CC1=CC(=C(C=C1C)N=NC2=CC=C(C=C2)C(O)=O)O~   13.426
19348 CN(C)C1=CC2=C(C=C1[N+]([O-])=O)C3=CC=CC=C3[CH]2O~   11.076
19349 OC(=O)[CH](CC1=CC=CC=C1)NC(=O)C2=CC=NC=C2~   15.996
19350 [O-][N+](=O)C1=CC=C(C=C1)C(=O)NCCC2=CC=CC=C2~   11.686
19351 C[CH]1[CH](C(O)=O)C(=NN1C2=CC=CC=C2)C3=CC=CO3~   10.313
19352 CCC(=O)NC1=CC=C(SC2=CC=C(C=C2)[N+]([O-])=O)C=C1~   12.726
19353 CCOC1=CC=C(C=C1)N=NC2=CC=C(O)C(=C2)C(O)=O~   11.517
19354 NC1=CC=C(CC2=CC(=C(N)C=C2)C(O)=O)C=C1C(O)=O~   19.614
19357 COC1=C(O)C=CC(=C1)C=NNC(=O)C2=C(O)C=CC=C2~   15.413
19358 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NC=O)C=C2~   15.149
19359 CCOC1=CC=C(C=C1)N=NC2=CC(=C(C=O)C=C2)S(O)(=O)=O~   14.873
19360 CC(C)(C1=CC(=C(O)C=C1)[N+]([O-])=O)C2=CC(=C(O)C=C2)[N+]([O-])=O~    8.845
19361 COC1=C(C=C(CC2=CC(=C(OC)C=C2)[N+]([O-])=O)C=C1)[N+]([O-])=O~   10.582
19362 CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O~   14.277
19363 CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C~   11.206
19364 CN(CC1=CC=CC=C1)C2=CC=C(SC#N)C=C2~    7.951
19365 CSC1=CC=C(CC2=NC3=CC=CC=C3N2)C=C1~    9.021
19366 CN(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2~    9.340
19369 SC(=S)N(CN(C(S)=S)C1=CC=CC=C1)C2=CC=CC=C2~    2.449
19372 NC(=O)[CH]1[CH](C=CC2=CC=CC=C2)[CH](C#N)C(=O)NC1=N~   17.474
19373 CC1=NC2=C(C=CC=C2)N=C1NS(=O)(=O)C3=CC=C(N)C=C3~   14.319
19375 COC1=CC=C(C=C1)N2N=NC[CH]2C3=C(C=CC=C3)[N+]([O-])=O~   10.381
19376 COC1=CC=C(C=C1)[CH]2CN=NN2C3=CC=C(C=C3)[N+]([O-])=O~   10.381
19377 OC1=C(C=CC=C1)C=NNC(=O)NN=CC2=C(O)C=CC=C2~   18.735
19378 OC1=CC=C(C=C1)C=NNC(=O)NN=CC2=CC=C(O)C=C2~   18.735
19379 CC(CC1=CC=CC=C1)=NNC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O~    9.607
19380 NC1=CC=C(C=C1)S(=O)(=O)NN=CC=CC2=C(C=CC=C2)[N+]([O-])=O~   13.033
19381 [O-][N+](=O)C1=CC(=C(NN=CCSCC2=CC=CC=C2)C=C1)[N+]([O-])=O~   11.703
19382 OC1=CC(=C(C=C1)C=NNC(=O)NN=CC2=C(O)C=C(O)C=C2)O~   26.701
19383 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC(=CC=C2)[N+]([O-])=O~   15.385
19384 OS(=O)(=O)C1=C(C=CC=C1)C=NNC(=O)NN=CC2=C(C=CC=C2)S(O)(=O)=O~   23.431
19385 COC1=CC(=C(C=C1OC)[N+]([O-])=O)C=NNS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O~   14.304
19386 OC1=C(C=C(C=C1)C=NNC(=O)NN=CC2=CC(=C(O)C=C2)S(O)(=O)=O)S(O)(=O)=O~   31.396
19387 NC1=NC(=NC(=N1)NC2=CC=CC=C2)NC3=CC=CC=C3~   13.240
19388 CN1C(=O)N(C)C2=C(N(C)C(=N2)N=CC3=CC=C(C=C3)[N+]([O-])=O)C1=O~   14.588
19389 CC(=O)CC1=CC=C(C=C1)C2=CC=CC=C2~    6.513
19390 CC1=C(C=CC=C1)C(=O)C2=C(C)C=CC=C2~    5.625
19393 COC1=CC=C(C=C1)C=CC2=CC=CC=C2~    5.135
19394 O=C(CC1=CC=CC=C1)CC2=CC=CC=C2~    6.491
19396 CC1=C(C)C=C(C=C1)C(=O)C2=CC=CC=C2~    5.625
19399 CCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2~    6.000
19400 CC1=CC=C(C=C1)C(=O)C2=CC=C(C)C=C2~    5.625
19401 C[CH](C1=CC=CC=C1)C(=O)C2=CC=CC=C2~    5.979
19403 O=C(CSCC1=CC=CC=C1)C2=CC=CC=C2~    8.073
19405 CC1=CC(=CC(=C1O)C)C(=O)C2=CC=CC=C2~    9.609
19406 CC1=CC=C(CC2=C(C=CC=C2)C(O)=O)C=C1~    7.971
19408 CC1=CC=C(OC(=O)CC2=CC=CC=C2)C=C1~    5.239
19410 OC(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2~    8.324
19411 CC1=CC=CC(=C1OC(=O)C2=CC=CC=C2)C~    4.807
19412 OC(=O)[CH](CC1=CC=CC=C1)C2=CC=CC=C2~    8.324
19415 CC1=CC=CC(=C1)C(=O)OCC2=CC=CC=C2~    5.510
19418 CC1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2~    5.510
19419 CC1=CC=C(OC(=O)C2=C(C)C=CC=C2)C=C1~    4.807
19420 COC1=CC=C(CC(=O)C2=CC=CC=C2)C=C1~    7.330
19421 COC1=CC=C(C=C1)C(=O)CC2=CC=CC=C2~    7.330
19424 CC1=CC=C(OC(=O)C2=CC(=CC=C2)C)C=C1~    4.807
19425 C[CH](OC(=O)C1=CC=CC=C1)C2=CC=CC=C2~    5.429
19427 CCOC(=O)C1=CC=C(C=C1)C2=CC=CC=C2~    5.451
19429 C1O[CH](O[CH]1C2=CC=CC=C2)C3=CC=CC=C3~    6.839
19432 C=CCOC(=O)CC1=C2C=CC=CC2=CC=C1~    5.742
19433 C[CH](OC1=CC=CC=C1)C(=O)C2=CC=CC=C2~    6.399
19434 O=C(COC1=CC=CC=C1)CC2=CC=CC=C2~    6.910
19436 OC(=O)C[CH](SC1=CC=CC=C1)C2=CC=CC=C2~    9.903
19437 C[CH](OC1=C(C=CC=C1)C2=CC=CC=C2)C(O)=O~    8.767
19438 COC1=CC=C2C=CC=CC2=C1C=C(C)C(O)=O~    9.932
19442 CC1=C(OC(=O)OC2=C(C)C=CC=C2)C=CC=C1~    3.987
19443 CC1=CC=CC(=C1)OC(=O)OC2=CC(=CC=C2)C~    3.987
19444 CC1=CC=C(OC(=O)OC2=CC=C(C)C=C2)C=C1~    3.987
19445 O[CH](C(=O)OCC1=CC=CC=C1)C2=CC=CC=C2~    6.750
19446 CC(C)=CCC1=C(O)C(=O)C2=C(C=CC=C2)C1=O~    7.910
19448 OCC(C(O)=O)(C1=CC=CC=C1)C2=CC=CC=C2~   12.762
19449 OC(=O)CC(O)(C1=CC=CC=C1)C2=CC=CC=C2~   12.762
19451 CC1=C(C=CC=C1)[C](O)(C(O)=O)C2=CC=CC=C2~    9.212
19453 COC1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2~    6.780
19455 CC1(C)CCC2=C(O1)C3=C(C=CC=C3)C(=O)C2=O~    9.201
19456 CC1(C)CCC2=C(O1)C(=O)C3=C(C=CC=C3)C2=O~    8.680
19457 COC1=CC=C(C=C1)C(=O)[CH](O)C2=CC=CC=C2~    8.136
19458 COC1=CC=C(CC2=C(C=CC=C2)C(O)=O)C=C1~    9.243
19459 COC1=C(C=CC=C1)[CH](C(O)=O)C2=CC=CC=C2~    9.676
19460 OC(=O)C[CH](C1=CC=CC=C1)C2=CC=C(O)C=C2~   12.307
19461 CC(=O)OC1=CC=C(OCC2=CC=CC=C2)C=C1~    6.509
19463 CC1=CC(=CC(=C1O)C)OC(=O)C2=CC=CC=C2~    8.788
19464 O[CH]([CH](C(O)=O)C1=CC=CC=C1)C2=CC=CC=C2~   12.762
19465 COC1=C(OCC2=CC=CC=C2)C=CC(=C1)C=O~    8.421
19466 CC1=CC(=CC(=C1)C)OC2=C(C=CC=C2)C(O)=O~    8.539
19467 COC(=O)C1=C(O)C=C(OCC2=CC=CC=C2)C=C1~    7.664
19468 COC1=C(OCC2=CC=CC=C2)C=CC(=C1)C(O)=O~   10.514
19469 CC(CC1=C2C=CC=CC2=CC=C1)(C(O)=O)C(O)=O~   13.247
19471 CC(CO)=CCC1=C(O)C(=O)C2=C(C=CC=C2)C1=O~    9.347
19472 CC(=O)OC1=CC2=C(C=C1OC(C)=O)[CH]3C[CH]2C=C3~    6.420
19473 COC1=CC=C(C=C1)[C](O)(C(O)=O)C2=CC=CC=C2~   10.483
19475 CC(=O)OC(OC(C)=O)C1=C2C=CC=CC2=CC=C1~    8.483
19476 COC1=CC2=CC=C(C=C2C=C1)C(=O)CCC(O)=O~   12.253
19478 COC(=O)[CH](C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2~    9.620
19479 OC(=O)[CH](CC1=CC=CS1)C(=O)OCC2=CC=CC=C2~   11.213
19481 COC1=CC(=O)O[CH](C1)C=CC2=CC3=C(OCO3)C=C2~    9.391
19482 COC1=C(OC(=O)OC2=C(OC)C=CC=C2)C=CC=C1~    6.527
19483 COC1=CC(=C(C=C1)C(=O)C2=C(O)C=C(OC)C=C2)O~    9.932
19484 O[CH]1CC2=C(O)C=C(O)C=C2O[CH]1C3=CC=C(O)C(=C3)O~   25.148
19485 C1CSC(S1)(C2=CC=CC=C2)C3=CC=CC=C3~    7.618
19486 S=C(SCC1=CC=CC=C1)SCC2=CC=CC=C2~    7.456
19489 CC1=C2C=CC=CC2=[N+](C)C3=C1C=CC=C3~   11.801
19490 CN(C=CC1=CC=CC=C1)C2=CC=CC=C2~    5.173
19491 C1CC2=C(C=CC=C2)[CH](N1)C3=CC=CC=C3~    7.278
19493 C1CC2=C(C=CC=C2)[CH]1CC3=NC=CC=C3~    6.268
19494 CC[N+]1=C2C=CC=CC2=C3C=CC=CC3=C1~   11.721
19495 ON=C(CC1=CC=CC=C1)CC2=CC=CC=C2~    7.294
19496 O=CN(CC1=CC=CC=C1)CC2=CC=CC=C2~    9.318
19497 CN(C)C1=CC2=C(C=C1)C3=CC=CC=C3[CH]2O~   10.012
19498 CCNC1=CC2=C(C=C1)C3=CC=CC=C3[CH]2O~   11.201
19499 ON=C(CCC1=CC=CC=C1)C2=CC=CC=C2~    7.294
19502 CC1=C(C=CC=C1)C(=O)NCC2=CC=CC=C2~    9.364
19504 CCC(=CC1=CC(=CC=C1)O)C2=CC=NC=C2~   10.455
19505 CC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2~    9.364
19506 CC1=CC=CC(=C1)NC(=O)C2=C(C)C=CC=C2~    8.827
19508 CN(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2~    7.510
19509 O=C1[CH](CCC2=C1C=CC=C2)[N+]3=CC=CC=C3~   13.889
19510 C[CH](C1=CC=CC=C1)C(=NO)C2=CC=CC=C2~    7.294
19511 CC(=NO)C(C1=CC=CC=C1)C2=CC=CC=C2~    7.294
19512 CC(=O)[CH](C1=CC=CC=C1)C2=CC=C(N)C=C2~    9.943
19513 CCC(=O)[CH](C1=CC=CC=C1)C2=CC=CC=N2~    9.251
19515 O=C(NCCC1=CC=CC=C1)C2=CC=CC=C2~    9.283
19516 CC1=CC(=C(NC(=O)C2=CC=CC=C2)C=C1)C~    8.827
19517 O[CH](C1=CC2=C(CCC2)C=C1)C3=CC=CC=N3~   10.785
19518 C[CH]([CH](O)C1=CC=CC=N1)C(=O)C2=CC=CC=C2~   13.175
19519 CCC1=CC=CC(=C1)NC2=C(C=CC=C2)C(O)=O~   10.509
19521 O[CH](C(=O)NCC1=CC=CC=C1)C2=CC=CC=C2~   10.602
19525 COC1=CC=C(C=C1)C2=CC(=O)[C](C)(CC2)C#N~   10.456
19526 CCOC1=C(NC(=O)C2=CC=CC=C2)C=CC=C1~   10.018
19528 NC1=CC=C(C[CH](C(O)=O)C2=CC=CC=C2)C=C1~   11.777
19529 N[C](CC1=CC=CC=C1)(C(O)=O)C2=CC=CC=C2~   11.012
19530 N[CH](CC1=CC=CC=C1)C2=CC3=C(OCO3)C=C2~   10.118
19531 CN(C)C(=O)OC1=C(C=CC=C1)C2=CC=CC=C2~    8.266
19532 O=C1C=C(N2CCCCC2)C(=O)C3=C1C=CC=C3~   10.377
19533 OC1=CC2=C(C[CH](CC2)C3=CC=CC(=N3)O)C=C1~   14.234
19534 O[C]1(CCC2=C(C1)C=CC=C2)C3=[N+]([O-])C=CC=C3~   15.706
19535 CC1=CC=C(C=C1)[C](N)(C(O)=O)C2=CC=CC=C2~   11.092
19536 OC(=O)[CH](CCC1=CC=CC=N1)C2=CC=CC=C2~   11.085
19537 COC1=CC=C(C=NC2=CC=CC=C2)C=C1OC~    6.463
19538 CCOC(=O)NC1=C(C=CC=C1)C2=CC=CC=C2~    8.652
19539 O=S(=O)(N1CCCC2=C1C=CC=C2)C3=CC=CC=C3~    5.511
19541 COC1=CC=C(NC(=O)[CH](O)C2=CC=CC=C2)C=C1~   11.337
19542 COC1=C(OC)C=C(C=C1)C=NC2=C(O)C=CC=C2~   10.446
19543 CC(=O)N[CH](CC1=C2C=CC=CC2=CC=C1)C(O)=O~   13.419
19544 OC1=C(O)C=C(C=C1)C(=O)CNCC2=CC=CC=C2~   16.413
19545 CN(C)C1=CC=C(C=C1)C=C2C(=CC(=O)OC2=O)C~    8.256
19546 CN1C(=C(C[CH]2CC(=O)OC2=O)C3=C1C=CC=C3)C~    8.186
19547 CC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C)C=C2~    9.330
19548 COC1=C(SC2=C(C=C(C)C=C2)[N+]([O-])=O)C=C(C)C=C1~    8.050
19549 COC1=C(SC2=C(C)C=C(C=C2)[N+]([O-])=O)C=C(C)C=C1~    8.050
19550 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2~   12.939
19551 OC1=C(CN2CCOCC2)C(=O)C3=C(C=CC=C3)C1=O~   13.886
19553 CC(=O)N(C(C)=O)C1=C(C=CC=C1)C=C2CCOC2=O~    9.804
19554 CCOC(=O)[CH](O)C(=O)OCC1=CC=C2C=CC=CC2=N1~   12.050
19555 COC1=CC(=C2C(=C3C=COC3=NC2=C1OC)OC)OC~   12.086
19556 COC1=C(C=C(C)C=C1)S(=O)(=O)C2=C(C)C=C(C=C2)[N+]([O-])=O~   10.149
19557 COC1=C(C=C(C)C=C1)S(=O)(=O)C2=C(C=C(C)C=C2)[N+]([O-])=O~   10.149
19559 CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC=C(C=C2)[N+]([O-])=O)C~    8.801
19562 C(C[N+]1=CSC2=C1C=CC=C2)C3=CC=CC=C3~   12.068
19563 CCCN1C2=C(SC3=C1C=CC=C3)C=CC=C2~    6.000
19564 NCCC1=C(NC2=C1C=CC=C2)C3=CC=CN=C3~   13.873
19565 CC1=CC2=C(C=C1N)N=C3C=C(N)C(=CC3=C2)C~   13.991
19566 N#CCCNC1=CC=C(NC2=CC=CC=C2)C=C1~   12.348
19567 NC(=O)NN=CC(C1=CC=CC=C1)C2=CC=CC=C2~   11.074
19568 NC(=O)NN=C(CC1=CC=CC=C1)C2=CC=CC=C2~   11.074
19569 NC(=S)NN=CC1=CC=C(OCC2=CC=CC=C2)C=C1~    9.788
19572 O=C(CC1=CC=CC=C1)NNC(=O)NC2=CC=CC=C2~   15.658
19573 O=C(CNC(=O)C1=CC=CC=C1)NNC2=CC=CC=C2~   13.269
19574 CN(C)C1=CC=C(C=C1)N=NC2=C(C=CC=C2)C(O)=O~   11.327
19575 CCOC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2~   10.102
19576 CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(O)=O~   11.327
19577 COC1=CC=C(C=C1)C(C)=NNC(=O)C2=CC=NC=C2~   13.309
19578 NC1=CC=C(C=C1)S(=O)(=O)NN=CC=CC2=CC=CC=C2~   10.629
19579 CCOC1=CC(=CC=C1O)C=NNC(=O)C2=CC=NC=C2~   17.292
19580 O=C(N1CC1)C2=CC(=CC(=C2)C(=O)N3CC3)C(=O)N4CC4~   17.245
19581 COC1=C(O)C=CC(=C1)C(C)=NNC(=O)C2=CC=NC=C2~   17.292
19582 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=CC=C2~   12.983
19584 CCC(=NNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O)C2=CC=CC=C2~    9.198
19585 [O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)NN=CCCC2=CC=CC=C2~    9.198
19586 CC(CC1=CC=CC=C1)=NNS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O~    9.198
19587 CC1=CC=C(C=C1)C(C)=NNS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O~    9.278
19589 CCOC1=C(C=CC=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O~   10.548
19590 N=C1N[CH](N=C(N1)NC2=CC=CC=C2)C3=CC=CC=C3~   14.447
19591 CN1C(=O)N(C)C2=C(N=C(CNC(=O)C3=CC=CC=C3)N2)C1=O~   18.914
19593 CC1=NC(=NC(=C1[N+]([O-])=O)NCC2=CC=CO2)NCC3=CC=CO3~   11.415
19594 CC1=CC2=C(C=C1C)N(CC=NNC(N)=S)C3=NC(=O)NC(=O)C3=N2~   15.308
19596 CN(C)C1=CC2=C(C=C1N)C3=C(C2)C=CC=C3~    9.027
19597 CN(C)CN1C2=CC=CC=C2C3=CC=CC=C13~    5.928
19598 CC1=C(C=CC=C1)N=NC2=C(C)C=CC=C2C~    4.703
19599 CN(C)C1=CC=C(C=C1)N=CC2=CC=CC=C2~    5.807
19600 CN(C)C1=CC=C(C=C1)C=NC2=CC=CC=C2~    5.807
19601 CC1=CC(=C(NC(=O)C2=CC=CC=C2)C=C1N)C~   12.279
19603 CC1=CC=C(NC(=O)NC2=CC=C(C)C=C2)C=C1~    9.870
19604 CC1=CC=CC(=C1)NC(=O)NC2=CC(=CC=C2)C~    9.870
19608 CN(C)C1=CC=C(C=C1)N=C2C=CC(=O)C(=C2)C~    8.333
19609 CN(C)C1=CC2=C(C=C1N)C3=CC=CC=C3[CH]2O~   13.463
19610 CC[C](C(N)=O)(C1=CC=CC=C1)C2=CC=CC=N2~   12.775
19611 NC(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2~   10.939
19613 CC(=O)C(CCC#N)(CCC#N)C1=CC=CC=C1~   11.670
19614 CN(C)C1=CC=C(C=C1)C(=NO)C2=CC=CC=C2~    9.338
19615 CC1=NC(=CC=C1)C=NOCCC2=CC=CC=C2~    7.752
19616 [O-][N+](=O)C1=C(CCNCC2=CC=CC=C2)C=CC=C1~    9.246
19617 COC1=CC(C=CC1=O)=NC2=CC=C(C=C2)N(C)C~    8.710
19618 CCOC(=O)C1=CC=C(NCC2=CC=NC=C2)C=C1~   11.423
19619 OC(=O)C1=C2C=CC=CC2=NC(=C1)N3CCCCC3~   12.644
19620 O=C1NC(=O)[C](N1)(C2=CCCCC2)C3=CC=CC=C3~    9.499
19621 NC1=CC=C(C=C1)S(=O)(=O)N2CCCC3=C2C=CC=C3~    8.963
19622 NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=CC=C3~   10.548
19623 CCC1(CC=CC2=CC=CC=C2)C(=O)NC(=O)NC1=O~   13.796
19625 COC1=CC=C(NC(=O)NC2=CC=C(OC)C=C2)C=C1~   12.410
19626 CCOC(=O)[C]1(CC2=CC=CC=C2CN1C(C)=O)C#N~   13.256
19629 CCC1=CC(=C2C=CC=CC2=N1)C(=O)OCC(C)=NO~   12.162
19630 COC1=CC(=C(OC)C=C1N)NC(=O)C2=CC=CC=C2~   14.821
19631 CC1=CC=C(C=C1)S(=O)(=O)NC2=C3CCCC3=NC(=C2)O~   13.602
19633 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)CCC2=CC=NC=C2~   15.699
19634 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)CCC2=CC=CC=N2~   15.699
19635 CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=C(O)C=CC=C2~   10.857
19636 CCOC(=O)C(CCC#N)(CCC#N)C(=O)C1=CC=CS1~   14.045
19637 CCOC(=O)[CH](C#N)[CH](C#N)C1=CC=C(OC)C(=C1)OC~   13.824
19639 CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(N)C=C2~   15.324
19640 CC1=CC=C(NC(=S)NC2=CC=C(C)C=C2)C=C1~    7.233
19641 CCN(C(=S)NC1=CC=CC=C1)C2=CC=CC=C2~    5.883
19642 CSC(=N)NC(C1=CC=CC=C1)C2=CC=CC=C2~   10.460
19643 CC1=C(NC(=S)NC2=C(C)C=CC=C2)C=CC=C1~    7.233
19644 S=C(NCC1=CC=CC=C1)NCC2=CC=CC=C2~    8.305
19645 CC1=CC(=C(C)C=C1)NC(=S)NC2=CC=CC=C2~    7.233
19647 CN(C)C1=CC2=C(C=C1)N=C3C=C(C)C(=CC3=N2)N~   12.764
19648 CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC=NC=C2~   14.002
19649 CCOC1=C2C=NN(C3=CC=CC=C3)C2=NC(=N1)SCC~   12.116
19650 CN1C(=O)N(C)C2=C(N=C(CCC3=CC=CC=C3)N2)C1=O~   12.703
19651 CN1C(=O)N(C)C2=C(N(C)C(=N2)CC3=CC=CC=C3)C1=O~   11.496
19652 CN(N=O)C1=CC=C(CC2=CC=C(C=C2)N(C)N=O)C=C1~    9.415
19654 CN(C)C1=CC=C(C=C1C)N=NC2=CC=C(C=C2)[N+]([O-])=O~    8.991
19655 C[CH](C1=CC=CC=C1)C2=NC3=C(N2)N(C)C(=O)N(C)C3=O~   12.703
19656 CN1C(=O)N(C)C2=C(N=C(SCC3=CC=CC=C3)N2C)C1=O~   13.075
19657 CN1C(=O)N(C)C2=C(N(C)C(=N2)OCC3=CC=CC=C3)C1=O~   12.767
19658 CCOC1=CC=C(NC(=O)NNC(=O)C2=CC=NC=C2)C=C1~   19.256
19659 CN1C(=O)N(C)C2=C(N(C)C(=N2)[CH](O)C3=CC=CC=C3)C1=O~   15.932
19660 O=C1CCC2(CCC(=O)N(CCC#N)C2=O)C(=O)N1CCC#N~   22.848
19661 CN(C)C1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O~   11.243
19663 CC1=C(O)C(=CC(=C1)[N+]([O-])=O)C(C)=NNS(=O)(=O)C2=CC=C(N)C=C2~   16.712
19666 CN1C(=O)N(C)C2=C(N=C(CNC(=O)C3=CC=C(N)C=C3)N2)C1=O~   22.365
19667 CN1C(=O)N(C)C2=C(N(C)C(=N2)NN=CC3=C(O)C=CC=C3)C1=O~   18.547
19669 [O-][N+](=O)C1=CC=CC(=N1)NN=CCCCC=NNC2=NC(=CC=C2)[N+]([O-])=O~   19.535
19671 C[C](O)(CC1=CC=CC=C1)C2=CC=CC=C2~    7.510
19672 CC(C)(C1=CC=CC=C1)C2=CC=C(O)C=C2~    7.056
19675 OC(CC1=CC=CC=C1)CC2=CC=CC=C2~    7.510
19676 CC(C)(O)C1=C(C=CC=C1)C2=CC=CC=C2~    7.532
19677 CCC(O)(C1=CC=CC=C1)C2=CC=CC=C2~    7.510
19678 COC1=CC=C(CC2=CC=C(OC)C=C2)C=C1~    5.775
19680 C[CH](O)COC1=CC=C(C=C1)C2=CC=CC=C2~    8.801
19681 C(COC1=CC=CC=C1)COC2=CC=CC=C2~    5.614
19682 COC1=CC=C(C=C1)[CH](O)CC2=CC=CC=C2~    8.860
19683 CC(C)(C1=CC=C(O)C=C1)C2=CC=C(O)C=C2~   11.038
19684 O[CH](CC1=CC=CC=C1)[CH](O)C2=CC=CC=C2~    8.947
19685 CO[CH]([CH](O)C1=CC=CC=C1)C2=CC=CC=C2~    9.564
19686 COC1=C2C=CC=CC2=C(C=C1)C(=O)C(C)C~    7.001
19687 O[CH](C[CH](O)C1=CC=CC=C1)C2=CC=CC=C2~    8.947
19690 CC(C)CC(=O)C1=CC=C2C=CC=CC2=C1O~    6.532
19691 CCCOC(=O)CC1=C2C=CC=CC2=CC=C1~    5.613
19694 CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2~    6.314
19696 COC1=CC=C(C=C1)C(O)C2=CC=C(OC)C=C2~   10.212
19697 OC(COC1=CC=CC=C1)COC2=CC=CC=C2~   10.051
19698 CC(C)CCC1=C(O)C(=O)C2=C(C=CC=C2)C1=O~    7.924
19699 COC1=CC=C2C=CC(=O)OC2=C1CC=C(C)C~    5.836
19700 COC1=CC2=C(C=CC(=O)O2)C=C1CC=C(C)C~    5.836
19702 CS(=O)(=O)CC(O)(C1=CC=CC=C1)C2=CC=CC=C2~   11.706
19704 CCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C~    6.513
19705 CCCCC(=O)C1=C2OC(=O)C=C(C)C2=CC=C1O~    8.216
19706 COC1=CC2=C(C=CC(=O)O2)C=C1C(=O)CC(C)C~    8.757
19707 COC1=CC(=CC=C1O)CC2=CC=C(O)C(=C2)OC~   13.740
19710 CCOC(=O)CCC(=O)C=CC1=CC2=C(OCO2)C=C1~   11.243
19711 COC1=CC(=O)O[CH](CCC2=CC3=C(OCO3)C=C2)C1~    9.008
19712 COC1=CC=CC2=CC(=C(OC)C(=C2C1=O)OC)OC~    9.742
19713 CCOC(=O)C(=CC1=CC2=C(OCO2)C=C1)C(=O)OCC~   10.896
19714 COC(=O)C[C](OC(=O)C1=CC=CC=C1)(C(C)=O)C(=O)OC~   11.907
19715 CC1=CC(=C(O)C(=C1)S(O)(=O)=O)CC2=C(O)C(=CC(=C2)C)S(O)(=O)=O~   23.860
19719 CC1=CC(=C(C)C=C1)NCC2=CC=CC=C2~    6.386
19720 NC[CH](CC1=CC=CC=C1)C2=CC=CC=C2~    7.060
19724 C[CH](N)C(C1=CC=CC=C1)C2=CC=CC=C2~    7.060
19725 C(CC1=CC=CC=C1)NCC2=CC=CC=C2~    6.842
19726 CN(CC1=CC=CC=C1)CC2=CC=CC=C2~    6.623
19727 N[CH](CCC1=CC=CC=C1)C2=CC=CC=C2~    7.060
19728 C1CCN(CC1)C2=CC3=C(C=CC=C3)C=C2~    5.064
19730 C[CH]1CCCC2=CC(=C3C=CC=CC3=C12)N~    6.631
19731 CN[CH](CC1=CC=CC=C1)C2=CC=CC=C2~    6.842
19732 CC(C)(C1=CC=CC=C1)C2=CC=C(N)C=C2~    6.524
19733 CC1=CC=C(C[CH](N)C2=CC=CC=C2)C=C1~    7.141
19734 C[CH](N(C)C1=CC=CC=C1)C2=CC=CC=C2~    5.037
19735 CN(C)C(C1=CC=CC=C1)C2=CC=CC=C2~    6.623
19736 CC(=O)[CH](C[N+]1=CC=CC=C1)C2=CC=CC=C2~   13.967
19737 CC(C)OC1=CC=C(NC2=CC=CC=C2)C=C1~    6.959
19738 CC(C)CC(=O)NC1=CC2=C(C=CC=C2)C=C1~    8.851
19739 CN(C)CC1=CC=CC(=C1O)C2=CC=CC=C2~   10.627
19745 CCN(CC)C(=O)C1=C2C=CC=CC2=CC=C1~    8.735
19746 CN(C[CH](O)C1=CC=CC=C1)C2=CC=CC=C2~    9.474
19747 O[CH](CNCC1=CC=CC=C1)C2=CC=CC=C2~   11.279
19748 CN[CH]([CH](O)C1=CC=CC=C1)C2=CC=CC=C2~   11.279
19749 C[CH](N)C(O)(C1=CC=CC=C1)C2=CC=CC=C2~   11.498
19750 CC[CH](C(=O)C1=CC=CC=C1)[N+]2=CC=CC=C2~   13.452
19751 O=C(CCC1=CC=CC=C1)C[N+]2=CC=CC=C2~   13.967
19752 CN[CH](CC1=CC=CC=C1)C2=CC(=CC=C2)O~   10.824
19753 CN[CH](CC1=CC=CC=C1)C2=C(O)C=CC=C2~   10.824
19754 OC[CH](NCC1=CC=CC=C1)C2=CC=CC=C2~   11.279
19755 COC1=C(C[CH](N)C2=CC=CC=C2)C=CC=C1~    8.411
19756 C[C]12C=C(N[CH]1CCCC2=O)C3=CC=CC=C3~    9.203
19758 CSC1=CC=C(C=C1)C(=O)C[N+]2=C(C)C=CC=C2~   15.191
19759 CSC1=CC=C(C=C1)C(=O)C[N+]2=CC(=CC=C2)C~   15.191
19762 COC1=CC(=CC=C1O)C=CC2=[N+](C)C=CC=C2~   16.672
19763 OCCNCC1=CC=CC(=C1O)C2=CC=CC=C2~   15.283
19764 COC1=CC=C(CNC2=CC=CC=C2)C=C1OC~    8.928
19765 C[N+](C)([O-])CC1=CC(=CC=C1O)C2=CC=CC=C2~   17.724
19767 CCCCNC(=O)OC1=C2C=CC=CC2=CC=C1~    8.134
19769 COC1=CC=C(C=C1)C(=O)C[N+]2=C(C)C=CC=C2~   14.883
19770 CC(C)C1=CC(=C(C)C=C1O)N=CC2=CC=CO2~    7.660
19771 CC(=O)O[CH](C[N+]1=CC=CC=C1)C2=CC=CC=C2~   13.416
19772 COC1=C(C=C(C)C=C1)C(=O)C[N+]2=CC=CC=C2~   14.883
19773 COC1=CC=C(C=C1)C(=O)C[N+]2=CC(=CC=C2)C~   14.883
19774 CN[CH](CC1=CC=C(O)C=C1)C2=CC=C(O)C=C2~   14.807
19775 COC1=C(O)C=CC(=C1)C[CH](N)C2=CC=CC=C2~   12.395
19777 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C)C=C(C)C=C2~    6.504
19778 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC=C2)C~    6.504
19779 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C)C=C2~    6.742
19781 O=S(=O)(N1C[CH]2[CH]3C[CH](C=C3)[CH]2C1)C4=CC=CC=C4~    5.951
19783 CCN(CC)CC1=C(O)C(=O)C2=C(C=CC=C2)C1=O~   11.476
19785 COC1=CC=C(C=C1OC)C(=O)C[N+]2=CC=CC=C2~   16.154
19786 CCN(CC1=CC=C(C=C1)S(O)(=O)=O)C2=CC=CC=C2~   11.368
19787 OS(=O)(=O)C[CH](NCC1=CC=CC=C1)C2=CC=CC=C2~   13.609
19788 CCOC(=O)[CH]1CN(CCC2=CC=CC=C2)C(=O)C1=O~   13.493
19790 CCOC=C1C(=O)N(C(C)=O)C2=C1C=C(OC)C(=C2)OC~   10.863
19791 OCCN(CCO)CC1=C(O)C(=O)C2=C(C=CC=C2)C1=O~   14.351
19793 CO[CH](OC(=O)CN1C(=O)C2=C(C=CC=C2)C1=O)C(C)(C)O~   14.971
19794 CCN(CC1=CC=C(C=C1)S(O)(=O)=O)C2=CC(=CC=C2)S(O)(=O)=O~   17.699
19795 OC(=O)CCC(=O)OC[CH](NC(=O)OCC1=CC=CC=C1)C(O)=O~   19.488
19796 CCC1=CC=C(CCSC2=CC=CC=C2)N=C1~    7.491
19797 CC1=C(NC(=N)NC2=C(C)C=CC=C2)C=CC=C1~   11.062
19798 NC(=N)N(CC1=CC=CC=C1)CC2=CC=CC=C2~   12.134
19799 CN(C)C1=CC=C(C=C1)C(=NN)C2=CC=CC=C2~    9.020
19800 CN1N(C2=CC=CC=C2)C(=O)C3=C1C(=C[N+](=C3)C)C~   16.123
19801 CN(N(C)C1=CC=CC=C1)C(=O)NC2=CC=CC=C2~   10.680
19803 CC1=NC(=[N+](C)C(=C1)C)C=CC2=CC=C(C=C2)[N+]([O-])=O~   14.163
19804 COC1=C(NC(=N)NC2=C(OC)C=CC=C2)C=CC=C1~   13.604
19805 CC1=CC=C(C=C1)C(C)=NNS(=O)(=O)C2=CC=C(N)C=C2~   10.326
19806 CCC(=NNS(=O)(=O)C1=CC=C(N)C=C1)C2=CC=CC=C2~   10.246
19807 CC(CC1=CC=CC=C1)=NNS(=O)(=O)C2=CC=C(N)C=C2~   10.246
19808 CCN(CC)CCOC(=O)C1=CC(=CC(=C1)N=C=S)N=C=S~    9.073
19809 COC1=CC=C(C=C1)N=NC2=C(OC)C=C(N)C(=C2)OC~   11.967
19810 CCOC1=C(C=CC=C1)C=NNS(=O)(=O)C2=CC=C(N)C=C2~   11.597
19811 CC1=CC(=C(C)C=C1N)N=NC2=CC(=C(C)C=C2)S(O)(=O)=O~   14.487
19812 [O-][N+](=O)C1=CC2=C(C=C1)C(=NO2)C(=O)OCCN3CCCCC3~   13.020
19814 CCCCNC1=C2C=NN(C3=CC=CC=C3)C2=NC=N1~   14.889
19815 CCNC1=C2C=NN(C3=CC=C(C)C=C3)C2=NC(=N1)C~   15.051
19816 CN1C(=O)N(C)C2=C(N(C)C(=N2)CC3=CC=C(N)C=C3)C1=O~   14.947
19817 CCCN1C=NC2=C1N=C(N)N=C2SCC3=CC=CC=C3~    9.067
19818 CC(C)C1=CC2=C(C)C=CC2=C(C)C=C1~    0.573
19819 C1CC[CH]2[CH](C1)CC=C2C3=CC=CC=C3~    2.264
19820 CC(C)C1=CC=C(CNC2=CC=CC=N2)C=C1~    9.066
19822 CN1CCN(CC1)C2=C3C=CC=CC3=CC=C2~    8.614
19823 CC(C)(C1=CC=C(N)C=C1)C2=CC=C(N)C=C2~    9.975
19824 CC(C)(NC1=CC=CC=C1)NC2=CC=CC=C2~    6.879
19825 CC1=C(CC2=C(C)C=C(N)C=C2)C=CC(=C1)N~   10.137
19828 CC(C)NC1=CC=C(NC2=CC=CC=C2)C=C1~    8.842
19829 O[CH]([CH]1CCCCN1)C2=C3C=CC=NC3=CC=C2~   14.066
19830 O[CH]([CH]1CCCCN1)C2=CC3=CC=CN=C3C=C2~   14.066
19831 O[CH]([CH]1CCCCN1)C2=CC3=C(C=CC=N3)C=C2~   14.066
19832 O[CH]([CH]1CCCCN1)C2=C3N=CC=CC3=CC=C2~   14.066
19834 CC(C)(C1=CC(=C(O)C=C1)N)C2=CC(=C(O)C=C2)N~   17.943
19835 CN(C)CCNC(=O)OC1=C2C=CC=CC2=CC=C1~   11.686
19836 CCN1C(=C(C(=O)C(=O)N(C)C)C2=C1C=CC=C2)C~   12.662
19837 OC(=O)[CH]1CCCN(C1)CC2=CNC3=C2C=CC=C3~   14.429
19839 CCCNC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(N)C=C2~   12.921
19840 O=S(=O)(NC1=CC2=C(C=CC=C2)C=C1)N3CCCCC3~    8.068
19842 CC(C)C1([CH](C)C2=CC=CC=C2)C(=O)NC(=O)NC1=O~   13.412
19844 CCN(CC1=CC=C(C=C1)S(O)(=O)=O)C2=CC=C(N)C=C2~   14.818
19846 CC(C)C1=CC=C(COC(=O)C=CC(=O)NC(N)=O)C=C1~   13.873
19847 COCCC1(CCC2=CC=CC=C2)C(=O)NC(=O)NC1=O~   15.467
19848 O=C1NOC(=C1C2CCCCC2)NS(=O)(=O)C3=CC=CC=C3~   10.827
19849 CN(C1=CC=CC=C1)S(=O)(=O)CS(=O)(=O)N(C)C2=CC=CC=C2~    8.111
19851 CN(C)CCOC(=O)C1=CC=C(NC(=O)C=CC(O)=O)C=C1~   19.190
19853 CCOC(=O)C(CC1=CC=C(C=C1)[N+]([O-])=O)(NC=O)C(=O)OCC~   14.548
19855 C1CCN(CC1)CC2=NC(=CS2)C3=CC=CC=C3~    9.780
19858 CC1=CC(=C(N=NC2=C(N)C=C(N)C(=C2)C)C(=C1)C)S(O)(=O)=O~   17.939
19861 OC(=O)[CH](CC1=CN(CCC#N)C=N1)N(CCC#N)CCC#N~   20.842
19864 C[CH]1CCCC(C1)=C(C(O)=O)C2=CC=CC=C2~    7.362
19865 CC1=C2OC(=O)C=C(C)C2=CC(=C1)C(C)(C)C~    4.509
19866 CC1=C2C(=CC(=O)OC2=C(C=C1)C(C)(C)C)C~    4.509
19867 OC(=O)C(=C1CCCCCC1)C2=CC=CC=C2~    7.362
19868 CC(C)CC(=O)C(=CC1=CC=CC=C1)C(C)=O~    8.936
19870 C[CH]1CCC[CH](C(=O)CC2=CC=CC=C2)C1=O~    8.433
19871 COC(=O)[CH]([CH]1CCCC=C1)C2=CC=CC=C2~    4.523
19874 CC(C)CC(OC(=O)C1=CC=CC=C1)=CC(C)=O~    6.446
19876 CCC=CCCOC(=O)[CH]1O[CH]1C2=CC=CC=C2~    6.227
19877 CCCCC1=C(C)C2=C(OC1=O)C=C(C)C=C2O~    8.339
19879 COC(=O)C[CH]1CCCC(=O)[CH]1C2=CC=CC=C2~    7.886
19880 O[CH]([CH]1CCC=CC1)[CH](C(O)=O)C2=CC=CC=C2~   11.341
19884 CCOC(=O)C1=C(C)C2=CC=C(OC)C(=C2C1)OC~    7.762
19887 C=CCOC(=O)[CH]1[CH]2C[CH](C=C2)[CH]1C(=O)OCC=C~    6.171
19888 OC(=O)C1=C(OC(=O)CCC2CCCC2)C=CC=C1~    8.502
19889 COC(=O)C1=C(C=CC=C1)C(=O)OC2CCCCC2~    6.390
19890 COC1=CC=C(C=C1)C(=O)[CH]2CCCC[CH]2C(O)=O~   11.105
19891 CCOC1=C(OCC)C=C(C=C1)C=C2CCOC2=O~    7.754
19892 COC1=CC=CC(=C1)C=CC(=O)CCCCC(O)=O~   11.921
19893 CCOC(=O)[CH]1CC(=O)C2=C(C1)C=C(OC)C(=C2)OC~   10.154
19894 CCOC(=O)C(CC(O)=O)=CC1=CC(=C(OC)C=C1)OC~   12.650
19898 CCC(=O)OC(OC(=O)CC)C1=CC=C(OC(C)=O)C=C1~    9.146
19900 CC1=CC=[N+](CCC2=CC=CC=C2)C=C1C~   10.708
19901 C[CH]([CH](O)C1=C2C=CC=CC2=CC=C1)N(C)C~   10.733
19904 CC(=O)N[CH]1[CH]2CC[CH](C2)[CH]1C3=CC=CC=C3~    8.676
19905 C[N+](C)(C)CC(=O)C1=CC2=C(C=CC=C2)C=C1~   16.166
19906 CCN(CCO)CC1=C2C=CC=CC2=CC=C1~   10.733
19908 CCC1=[N+](CC(=O)C2=CC=C(C)C=C2)C(=CS1)C~   13.712
19909 CCN(CC)C1=CC=C(C=C1)C=C2CCOC2=O~    7.096
19910 O=C1O[CH](C[CH]1N2CCCCC2)C3=CC=CC=C3~    7.073
19911 CCOC(=O)CC1=C(C)NC2=C1C=C(C)C=C2C~    8.382
19912 OCCN(CCO)CC1=C2C=CC=CC2=CC=C1~   12.169
19913 CCOC(=O)[CH](C#N)C(C)(C)CC1=CC=CC=C1~    7.616
19914 CCC1(C)CC(=O)N(CC2=CC=CC=C2)C(=O)C1~    7.857
19915 O=C(CCN1CCOCC1)C=CC2=CC=CC=C2~   11.277
19917 CC1=CC=C(C=C1)S(=O)(=O)CCC2=CC=[N+](C)C=C2~   14.385
19918 CCOC(=O)[CH]1CN(CCC1=O)CC2=CC=CC=C2~   11.435
19919 CN1C(=O)[CH](C(O)=O)C(C)(C)C2=C1C=C(C)C(=C2)C~   12.008
19920 CCOC(=O)[CH](CC=C)NC(=O)CC1=CC=CC=C1~    9.662
19921 CCOC(=O)[CH]1CC2=C(C=C(C)C(=C2)C)N(C)C1=O~    9.625
19922 C[CH]1[CH]2CC[C]3(C)C=CC(=NO)C(=C3[CH]2OC1=O)C~    7.535
19923 COC1=C(C[CH](O)CNCC2=CC=CO2)C=CC=C1~   12.385
19924 CC(C)SC[CH](NC(=O)C=CC1=CC=CC=C1)C(O)=O~   14.668
19925 CCOCCC(=O)[CH](C#N)C1=C(OC)C(=CC=C1)OC~   12.921
19926 CCOC(=O)[CH]1CN(CC[CH]1O)C(=O)C2=CC=CC=C2~   14.896
19928 CCOC(=O)C[CH]1CC2=C(NC1=O)C=C(OC)C(=C2)OC~   13.356
19930 CC(C)CC(NC(=O)OCC1=CC=CC=C1)(C(O)=O)C(O)=O~   16.620
19932 CN(CCC1=CC=CC=N1)CCC2=CC=CC=N2~   12.143
19933 CC1=C(N=C2C=CC=CC2=N1)N3CCCCCC3~    8.164
19934 NC(=O)[CH]1CCCN(C1)CC2=CNC3=C2C=CC=C3~   16.120
19935 NC(=O)C1CCN(CC1)CC2=CNC3=C2C=CC=C3~   16.120
19936 CCCCC(=O)NC1=CC2=C(N)C=C(C)N=C2C=C1~   15.143
19938 CCCCCC1=CC(=C2C=CC=CC2=N1)C(=O)NN~   14.393
19942 C[CH]1CCCCN1CCOC2=C(C=CC(=C2)[N+]([O-])=O)C#N~   10.959
19943 [O-][N+](=O)C1=CC(=C(C=C1)C#N)OCCCN2CCCCC2~   10.959
19944 CCOC(=O)NN(C(=O)OCC)C1=C(C)NC2=C1C=CC=C2~   11.305
19945 CC1=CC(CC(C)(C)C1)=NNS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O~    7.706
19946 CCN(CC)CCCOC(=O)C1=NOC2=C1C=CC(=C2)[N+]([O-])=O~   12.664
19947 CC(=C)CNC(=O)C1=CC(=C(C(=C1)[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O~   12.396
19948 CCOC(=O)C(O)(NC(=O)NN=CC1=CC=CC=C1)C(=O)OCC~   12.971
19949 OC[CH]1O[CH](NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)[CH](O)[CH](O)[CH]1O~   23.034
19951 NC1(N)SSC(N)(N)N(C(=N)N1C2=CC=CC=C2)C3=CC=CC=C3~   16.397
19952 CCCCCC[CH]1C=CC2=C1C=CC=C2~    2.061
19953 CN(C)C[CH]1CCC=CC1=NC2=CC=CC=C2~    5.893
19954 C[N+](N)(CC1=CC=CC=C1)CC2=CC=CC=C2~   17.485
19955 CCC[CH](O)CNCC1=CC2=C(C=C1)N=CC=C2~   13.710
19956 CCN(CC)C[CH](O)C1=C2N=CC=CC2=CC=C1~   13.492
19961 CC[CH](O)CNCC1=C2C=C(OC)C=CC2=NC=C1~   15.061
19962 COC1=CC(=CC(=C1)OC)C2(CCN(C)CC2)C#N~   11.355
19964 CCN(CC)C[CH](C)N1C(=O)C2=CC=CC=C2C1=O~   10.461
19965 CCN(CC)[CH](C)CN1C(=O)C2=C(C=CC=C2)C1=O~   10.461
19967 CCCCOC(=O)[CH](N)CC1=CNC2=C1C=CC=C2~   10.830
19968 CC(C)CN1C[CH](C)C(=O)N(C1=O)C2=CC=CC=C2~    8.435
19970 CONC(=O)NC(=O)C1(CCCCC1)C2=CC=CC=C2~   10.164
19971 CC(C)(C[C]1(C)NC(=O)NC1=O)OCC2=CC=CC=C2~   11.213
19972 CCOC(=O)NC(NC(=O)OCC)C=CC1=CC=CC=C1~    8.274
19973 C[CH]1C(C)(C)C2=CC(=C(C)C(=C2C1(C)C)[N+]([O-])=O)[N+]([O-])=O~    6.565
19974 CC[C]1(C)CC(C)(C)C2=C1C(=C(C)C(=C2)[N+]([O-])=O)[N+]([O-])=O~    6.565
19978 CCOC(=O)C1=CC=C(NC(=O)CN2CCOCC2)C=C1~   14.446
19979 CC1=CC(C)(C)SC(=N1)SC(=S)SC2=NC(=CC(C)(C)S2)C~   10.775
19981 CC1=CC(=C(N)C=C1N)N=C2C=CC(C=C2)=[N+](C)C~   18.951
19982 CN(C)C1=CC=C(CC2=CC=C(N=C2)N(C)C)C=N1~   12.682
19983 CC1=CC(=C(N)C=C1N)CC2=C(N)C=C(N)C(=C2)C~   17.040
19984 NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CS2)CN3CCCCC3~   16.480
19985 CC(C)[CH](C(C)=C)C(C)=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~    7.833
19986 CCN(CC)CCCNC(=O)C1=NOC2=C1C=CC(=C2)[N+]([O-])=O~   16.517
19987 CC(CC1CCCCC1)=NNC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O~    8.132
19988 OC[CH]1O[CH]([CH](O)[CH]1O)N2C=NC3=C(SC4CCCC4)N=CN=C23~   18.311
19989 CCN(CC)C[CH](O)CNC(=O)C1=NOC2=C1C=CC(=C2)[N+]([O-])=O~   20.955
19990 NC1=CC=C(C=C1)S(=O)(=O)NCC(O)CNS(=O)(=O)C2=CC=C(N)C=C2~   22.027
19991 CCC1(CCCC2(CC)C(=O)NC(=O)NC2=O)C(=O)NC(=O)NC1=O~   26.955
19992 CC(=O)C1=CC2=C(C=C1)C(C)(C)CC2(C)C~    4.664
19993 C[CH]1CC(C)(C)C2=C1C=C(C)C(=C2)C(C)=O~    4.742
19994 CC(=O)C1=CC2=C(CCCC2(C)C)C=C1C~    4.742
19995 CC(=O)C1=CC2=C(C=C1C)C(C)(C)CCC2~    4.742
19996 CC1=CC2=C(C=C1)C(C)(C)CC(=O)C2(C)C~    5.176
19997 C[CH]1[CH](C)C2=C(C=C(C(C)=O)C(=C2)C)[CH]1C~    4.742
19999 CCCCCCC(C=O)=CC1=CC=CC=C1~    4.983
20001 COC(=O)[CH]1O[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O~   16.218
20002 CCC(=O)OC1=C(C=CC=C1)C2CCCCC2~    3.762
20003 C[CH]1CC(C)(C)O[CH](O1)C=CC2=CC=CC=C2~    5.390
20004 CC1CCC(CC1)OC(=O)CC2=CC=CC=C2~    4.466
20006 CC1(C)CCC(C)(C)C2=C1C=CC(=C2)C(O)=O~    6.496
20008 CC(C)C1=CC=C(C=C1)C(=O)OC2CCCC2~    4.034
20009 CCC(=O)C1=C(C)C(=C(C)C=C1C)C(=O)CC~    7.374
20011 CCC1(C)COC(OC1)C=CC2=CC=CC=C2~    5.390
20012 C[CH]1O[CH](OCC1(C)C)C=CC2=CC=CC=C2~    5.390
20013 CC(C)C1=C(CC=C(C)C)C=CC(=O)C(=C1)O~    3.824
20014 CCCCCCC(=CC1=CC=C(O)C=C1)C(O)=O~   11.060
20015 OC1(CCCCC1)C(=O)OCCC2=CC=CC=C2~    5.273
20016 O[CH](C1CCCCC1)[CH](C(O)=O)C2=CC=CC=C2~   11.286
20017 CC1CCC(O)(CC1)[CH](C(O)=O)C2=CC=CC=C2~   11.286
20018 C[CH]1CCCC[C]1(O)[CH](C(O)=O)C2=CC=CC=C2~   11.286
20019 CC(C)C1=CC=C(C=C1)C(=O)OC[CH]2CCCO2~    6.987
20020 COC(=O)[CH](C1=CC=CC=C1)C2(O)CCCCC2~    8.903
20021 C[CH]1CCC[C](O)(C1)[CH](C(O)=O)C2=CC=CC=C2~   11.286
20022 COC1=CC=C(CC(=O)OC2CCCCC2)C=C1~    5.818
20023 COC1=CC=CC2=C1[CH](CCCC(O)=O)CCC2~    8.280
20024 OC(=O)[CH](C1=CC=CC=C1)C2(O)CCCCCC2~   11.286
20025 CCOC(=O)CCCCC1=CC=C(C=C1)C(C)=O~    7.096
20026 OCCCC[CH]1CO[CH](O1)C=CC2=CC=CC=C2~    9.827
20028 COC(=O)[CH]([CH]1CCCC[CH]1O)C2=CC=CC=C2~    8.903
20029 CCOC(=O)C(CC)(C(=O)OCC)C1=CC=CC=C1~    6.979
20031 CCCCC[CH](OC(C)=O)C1=CC2=C(OCO2)C=C1~    7.169
20032 CCC(CCCCC1=CC=CC=C1)(C(O)=O)C(O)=O~   11.745
20033 CCC1=CC=C(C=C1)C(C)(C)[CH](CC(O)=O)C(O)=O~   11.824
20035 CO[CH](C)CCOC(=O)C=CC1=CC=C(OC)C=C1~    8.173
20037 CCOC(=O)CC(CC(=O)OCC)C1=CC=CC=C1~    6.979
20038 CC(OC(C)=O)C(=O)OC1CC2CC1C3CC=CC23~    5.421
20039 CCCC1(C)COC(OC1)C2=CC3=C(OCO3)C=C2~    8.064
20040 OC(=O)[CH](CC1=CC=CS1)C(=O)OCC2CCCCC2~    9.738
20041 CCOC(=O)C(CC1=CC=C(OC)C=C1)C(=O)OCC~    8.332
20042 CC1(C)O[CH]2CO[CH](OCC3=CC=CC=C3)[CH](O)[CH]2O1~   14.807
20043 COC1=C(OC)C=C(CC(=O)OC[CH]2CCCO2)C=C1~   10.123
20044 CC(=C)C(=O)OCC(COC(=O)C(C)=C)OC(=O)C(C)=C~    9.005
20045 OC(CC(=O)OCC=C)(CC(=O)OCC=C)C(=O)OCC=C~    9.208
20046 CCCCCC[N+]1=CC2=CC=CC=C2C=C1~   10.218
20048 CCCN(CCC)C(=O)C=CC1=CC=CC=C1~    8.403
20049 CCN(CC)C(=O)C(C)=C(C)C1=CC=CC=C1~    8.259
20050 CN(C)CCC(=O)C1=CC2=C(CCCC2)C=C1~    8.214
20051 CC[CH](C(=O)N1CCCCC1)C2=CC=CC=C2~    8.102
20053 CN(C[CH]1CCCCC1=O)CC2=CC=CC=C2~    8.565
20054 O=C(CCN1CCCCCC1)C2=CC=CC=C2~    8.054
20055 CN(C)C(=O)C1=CC=CC(=C1O)C2CCCCC2~    8.551
20057 CCCCCC(=O)NCCC(=O)C1=CC=CC=C1~   10.870
20058 CN(C)C(=O)OC1=CC=C(C=C1)C2CCCCC2~    6.851
20060 COC(=O)[CH](N1CCCCCC1)C2=CC=CC=C2~    6.717
20063 COC1=CC=C(C=C1)C(=O)CCN2CCCCC2~    9.405
20065 CNC(=O)OC1=C(C=C2CCCC2=C1)C(C)(C)C~    7.228
20066 C[CH](CN(C)C)OC1=CC2=C(C[CH](C)C2=O)C=C1~    9.484
20067 C[CH]1C[CH](CC(C)(C)N1)OC(=O)C2=CC=CC=C2~    7.724
20068 CCOC(=O)C1(CC[N+](C)([O-])CC1)C2=CC=CC=C2~   15.113
20069 CCCCCC[CH](NC(=O)C1=CC=CC=C1)C(O)=O~   11.403
20070 CCCC[CH](O)C(=O)NCCC(=O)C1=CC=CC=C1~   11.678
20071 CCN1CCC(O)(CC1)[CH](C(O)=O)C2=CC=CC=C2~   14.836
20073 CCOC(=O)CCCCCNC(=O)C1=CC=CC=C1~   10.321
20074 OC(=O)CCCCCCCNC(=O)C1=CC=CC=C1~   12.703
20075 COC1=CC(=CC=C1O)C(=O)CCN2CCCCC2~   13.387
20076 C[CH]1C[CH](C)C(=O)C(C1)=CCC2CC(=O)NC(=O)C2~   10.273
20078 CCCCOC1=CC=C(CN2[CH](C)COC2=O)C=C1~    8.903
20079 COC(=O)C1=C(SCCCN2CCOCC2)C=CC=C1~   11.218
20080 COC(=O)C1=CC=C(SCCCN2CCOCC2)C=C1~   11.218
20081 CCCCCCCCN1C(=O)C2=CC=CC=C2S1(=O)=O~    7.708
20082 CCOC(=O)CC[CH]1CNC2=C1C=C(OC)C(=C2)OC~   10.402
20083 CCOC(=O)C1(CCN(C)CC1)C2=CC=C(O)C(=C2)O~   15.983
20085 COC1=CC(=CC(=C1)OC)C2(CCN(C)CC2)C(O)=O~   13.101
20086 COC(=O)C1=C(OCCCN2CCOCC2)C=CC=C1~   10.910
20087 COC(=O)C1=CC=CC(=C1)OCCCN2CCOCC2~   10.910
20088 C[CH]1C[CH](C)C(=O)[CH](C1)C(=O)CC2CC(=O)NC(=O)C2~   13.435
20089 CCOC(=O)C(=CC1=C(C)N(C)C(=C1)C)C(=O)OCC~    9.321
20090 CCC[CH]1O[CH](OC[CH]1CC)C2=CC=CC(=C2)[N+]([O-])=O~    7.410
20091 CCOC(=O)C=CC1=CC=CC(=C1)N(CCO)CCO~   12.686
20092 CCOC(=O)[CH](CCSC)NC(=O)OCC1=CC=CC=C1~   11.080
20094 COC1=C(OC)C(=CC(=C1)C=CC(=O)N[CH](C)CO)OC~   17.111
20095 CCCCC(CCN)(C1=CC=CS1)C2=CC=CS2~    7.098
20098 CC(C)C(=O)NC1=CC2=C(N)C=C(C)[N+](=C2C=C1)C~   19.936
20099 CNC(=O)OC1=CC2=C(C=C1)N(C)[CH]3N(C)CC[C]23C~   10.519
20100 CC(=C)CN1C(=O)N(CC(C)=C)C(=O)N(CC(C)=C)C1=O~   12.094
20101 C[CH]1CCCCC1=NNS(=O)(=O)C2=CC=C(NC(C)=O)C=C2~   11.506
20102 CC1CCC(CC1)=NNS(=O)(=O)C2=CC=C(NC(C)=O)C=C2~   11.506
20103 COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)NN=C(C)C~   13.642
20104 CN(C)C1=CC=C(C=C1)N2C(=CC(C)(C)NC2=S)C~    6.804
20105 COC1=CC(=C2N=CC=CC2=C1)NCCCCNC(N)=N~   19.288
20106 CN1C(=C(C[CH](CC(=O)NN)C(=O)NN)C2=C1C=CC=C2)C~   19.587
20107 CCCCC(=O)NC1=NC=NC2=C1N(C=N2)C(=O)CCCC~   15.252
20108 C[CH]1C(C)(C)C2=C(C=C(C)C=C2)C1(C)C~    1.757
20109 CC1=CC2=C(C=C1C)C(C)(C)CC2(C)C~    1.839
20110 CC[C]1(C)CC(C)(C)C2=C1C=C(C)C=C2~    1.757
20113 CC1=CC=CC=[N+]1CCC[N+]2=C(C)C=CC=C2~   12.181
20114 CC1=C[N+](=CC=C1)CCC[N+]2=CC(=CC=C2)C~   12.181
20116 NC(=O)[CH](CCN1CCCCC1)C2=CC=CC=C2~   12.089
20117 CCN(CC)C(=O)[CH]1CN(C)C2=C(C1)C=CC=C2~   10.146
20118 CC1=[N+](CC(O)C[N+]2=C(C)C=CC=C2)C=CC=C1~   16.618
20119 CC(C)N1C=C([CH](O)CN(C)C)C2=C1C=CC=C2~   12.053
20120 CCCCCOC1=CC=C(CC2=NCCN2)C=C1~    8.022
20121 CCN(CC1=CC=CC=C1)C(=O)C2CCNCC2~   11.870
20123 CC(C)COC(=O)N1CCN(CC1)C2=CC=CC=C2~    9.517
20124 CCOC1=CC=C(NC(=O)[CH]2CCCN(C)C2)C=C1~   12.606
20125 CCOC(=O)[CH](N1CCN(C)CC1)C2=CC=CC=C2~   10.268
20126 CCN(CC)CCN1C(=O)[CH]2[CH]3C[CH](C=C3)[CH]2C1=O~   10.342
20127 C[CH]1CN(C[CH]2COC3=C(O2)C=CC=C3)[CH](C)CN1~   11.896
20128 COC(=O)CCN1CCN(CC1)C2=CC=C(C)C=C2~   10.062
20133 CC[CH](CC(=O)C1=CC=C(C=C1)[N+]([O-])=O)N(CC)CC~   10.102
20135 CC(C)NCCCNC(=O)[CH]1COC2=C(O1)C=CC=C2~   13.860
20136 CCOC(=O)C1=C(NC(=O)CNCC(C)C)C=CC=C1~   12.254
20137 CCCCNCC(=O)NC1=CC=C(C=C1)C(=O)OCC~   12.254
20138 CCCCCOC(=O)C1=CC=C(NC(=O)CNC)C=C1~   12.254
20140 CCOC(=O)C1=C(NC(=O)CCNC(C)C)C=CC=C1~   13.554
20141 CCCNCCC(=O)NC1=C(C=CC=C1)C(=O)OCC~   13.554
20142 CCC(CC)(CC1=CC=CC=C1)C(=O)NC(=O)NOC~    9.807
20143 CCOC(=O)CCN(CCC(=O)OCC)C1=CC=CC=N1~   11.706
20145 CCN(CC)CCOC(=O)C1=CC=C(NC(=O)OC)C=C1~   12.788
20146 CCN(CC)C(C)(C)COC(=O)C1=CC=C(C=C1)[N+]([O-])=O~    9.553
20147 CC(C)OC(=O)NC1=CC=C(C)C(=C1)NC(=O)OC(C)C~    9.318
20148 CCC(CC)(CC)C1=C(OC)C(=C(C)C(=C1)[N+]([O-])=O)[N+]([O-])=O~    7.480
20149 OCCN(CCO)CC(=O)NC1=CC=C(CCC(O)=O)C=C1~   20.804
20150 OC(=O)[CH]1[CH]2O[CH](C=C2)[CH]1C(=O)NCCCN3CCOCC3~   21.068
20151 CCNC[CH](OC)[CH](COC)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O~   13.879
20153 CN1C(=O)N(C)C2=C(N=C(CCC3CCCCC3)N2)C1=O~   11.227
20156 CC(C)CC(CC(C)C)=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O~    7.777
20157 CN1C(=O)N(C)C2=C(N=C(CCCCCCCC(O)=O)N2)C1=O~   16.123
20158 CC1=CC2=C(C=C1O)C(C)(C)CCC2(C)C~    5.740
20160 CCC(C)(C)C1=CC=C(C[CH](C)C=O)C=C1~    4.480
20161 CC(=CC=O)C=CC1=C(C)CCCC1(C)C~    3.327
20163 CC1=CC2=C(C=C1)C(C)(C)C[CH](O)C2(C)C~    6.194
20164 CCCC(=O)CC1=CC=C(C=C1)C(C)(C)C~    4.740
20165 CCCCC(=O)CC1=C(C)C=C(C)C=C1C~    4.900
20171 CO[CH]1O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O~   15.553
20174 C[CH](O)COC1=CC=C(C=C1)C2CCCCC2~    7.385
20175 CCCCCC(=O)OCCCC1=CC=CC=C1~    4.111
20176 CCCCCC1=C(OC(=O)CC)C=C(C)C=C1~    3.487
20177 CC(C)C1=CC=CC(=C1OC(C)=O)C(C)(C)C~    3.487
20181 CCC[CH]1O[CH](OC[CH]1CC)C2=CC=CC=C2~    5.007
20182 CC(C)(C)CCC[CH](C(O)=O)C1=CC=CC=C1~    6.493
20183 CC(C)(C)C1=C(O)C(=CC(=C1)C=O)C(C)(C)C~    8.031
20184 CCC[CH](C)C(=O)OCCCC1=CC=CC=C1~    4.111
20185 CCCCCCCOC(=O)C1=C(C)C=CC=C1~    3.678
20186 CCCCCCCOC(=O)C1=CC(=CC=C1)C~    3.678
20187 CCCC[CH](CC)COC(=O)C1=CC=CC=C1~    3.599
20188 CCC(CC)C(=O)OCCCC1=CC=CC=C1~    4.111
20190 CCCCCOC(=O)C1=CC=C(C=C1)C(C)C~    3.678
20191 CC(C)CCOC(=O)C1=CC=C(C=C1)C(C)C~    3.678
20192 CCCCCCCCOC(=O)C1=CC=CC=C1~    3.599
20193 C[CH]1CC(C)(C)O[CH](CCC2=CC=CC=C2)O1~    5.007
20195 CCCC(C)(C)COC(=O)CC1=CC=CC=C1~    4.111
20199 CCCCCCCC(=O)OC1=CC(=CC=C1)C~    3.407
20200 CC1=C(C=CC(C)=CC(O)=O)C(C)(C)CCC1~    5.420
20203 CC1C2CCC3(CC=C(C)CC23)C1OC(C)=O~    3.330
20204 CCC1(CC)COC(C)(OC1)C2=CC=CC=C2~    5.007
20206 CC[C]1(O[CH](C)CC(C)(C)O1)C2=CC=CC=C2~    5.007
20207 CC[C]1(OCC(C)(C)[CH](C)O1)C2=CC=CC=C2~    5.007
20208 C[CH]1O[C](C)(CC2=CC=CC=C2)OCC1(C)C~    5.007
20209 C[CH]1O[CH](CCC2=CC=CC=C2)OCC1(C)C~    5.007
20210 CCCC[CH](CC)OC(=O)C1=C(C)C=CC=C1~    3.678
20211 CCC1(C)COC(C)(CC2=CC=CC=C2)OC1~    5.007
20213 C[CH]1O[CH](OCC1(C)C)[CH](C)C2=CC=CC=C2~    5.007
20215 CCC1(CC)COC(CC2=CC=CC=C2)OC1~    5.007
20216 CCCC1(C)COC(CC2=CC=CC=C2)OC1~    5.007
20217 CCCCCC[CH]1OC[CH](O1)C2=CC=CC=C2~    5.007
20218 CCCCC[C]1(C)OC[CH](O1)C2=CC=CC=C2~    5.007
20219 CC(C)[CH]1O[CH](OCC1(C)C)C2=CC=CC=C2~    5.007
20220 CC(C)C1=CC=C(C=C1)C2OCC(C)(C)CO2~    5.087
20221 CCC(C)(C)C1=CC=C(OCCOC(C)=O)C=C1~    5.462
20222 COC1=CC=C(C[CH]2O[CH](C)CC(C)(C)O2)C=C1~    6.358
20225 CCC(=O)OCCOC1=CC=C(C=C1)C(C)(C)C~    5.462
20226 CCCC1=CC(=CC(=C1O)CCC)C(=O)OCC~    7.742
20227 CCCCCCCOC1=C(OC)C=C(C=O)C=C1~    6.590
20231 CCOC(OCC)C1=C(OCC(C)=C)C=CC=C1~    6.057
20233 CC[CH](C)C1=CC=C(OC[CH](C)OC(C)=O)C=C1~    5.462
20234 CC[CH](C)C1=C(OC[CH](C)OC(C)=O)C=CC=C1~    5.462
20235 CCCC[CH](CC)OC(=O)C1=CC=C(OC)C=C1~    4.951
20236 CCCCCCCOC(=O)C1=CC=C(OC)C=C1~    4.951
20237 CCCC(C)(C)COC(=O)C1=CC=C(OC)C=C1~    4.951
20238 CCCC(C)(C)COC(=O)COC1=CC=CC=C1~    4.532
20239 CCCCCCCOC(=O)COC1=CC=CC=C1~    4.532
20240 CC1(C)OC[CH](CCCOCC2=CC=CC=C2)O1~    7.061
20242 CCCCCCCCOC(=O)C1=C(O)C=CC=C1~    4.481
20243 CCC1(CC)COC(OC1)C2=CC=C(OC)C=C2~    6.358
20244 COC1=CC=C(CC[C]2(C)OCC[CH](C)O2)C=C1~    6.358
20245 COC1=CC=C(CC[C]2(C)O[CH](C)[CH](C)O2)C=C1~    6.358
20246 CC[C]1(OC[CH](CCCCO)O1)C2=CC=CC=C2~    9.444
20248 CCC[CH]1CC[CH](C)C[CH]1OC(=O)C2=CC=CO2~    3.708
20250 CC(C)CO[CH]1CCC[CH](O1)OC2=CC=CC=C2~    7.177
20251 CCCC[CH](CC)COC(=O)C1=C(O)C=CC=C1~    4.481
20253 CCOC(=O)[CH](CC)CC1=CC(=C(OC)C=C1)OC~    6.812
20254 COCCOCCOC(=O)C1=CC=C(C=C1)C(C)C~    7.788
20255 CCCCOCCOCCOC(=O)C1=CC=CC=C1~    7.708
20258 CCCCCOC(=O)CC1=CC(=C(OC)C=C1)OC~    6.812
20259 COC1=CC(=CC(=C1O)OC)C(=O)O[CH](C)CC(C)C~   10.283
20260 CCOC(=O)C=C(C)C[C]1(CCCC1=O)C(=O)OCC~    9.180
20261 CCCCCCCCC(=O)OCC1=CC(=O)C(=CO1)O~    6.947
20262 CC(=O)C(CCC(=O)OCC=C)CCC(=O)OCC=C~    8.824
20264 CC1=CC2=C(C=C1N)C(C)(C)CCC2(C)C~    5.209
20265 CN(CC1=CC=CC=C1)C2(C)CCCCC2~    5.148
20266 C[CH]1CCCN(CC1)CCC2=CC=CC=C2~    5.148
20267 CC(C)C[CH](C)N=C(C)C1=CC=C(C)C=C1~    2.625
20268 CCCCCN(C(=O)CCC)C1=CC=CC=C1~    6.160
20269 CCCCCC[CH](C)C(=O)NC1=CC=CC=C1~    7.349
20270 COC1=C(C[CH](C)N2CCC[CH]2C)C=CC=C1~    6.499
20271 CN(C)CC1=CC=CC(=C1O)C2CCCCC2~    9.210
20272 C[CH]1CCC[CH](C)N1C[CH](O)C2=CC=CC=C2~    9.585
20273 CC(C)CN(CC(C)C)C(=O)C1=CC=CC=C1~    7.234
20274 C[CH](CN1CCCCC1)[CH](O)C2=CC=CC=C2~    9.585
20275 CC1=CC(=C(CN2CCCCCC2)C=C1C)O~    9.291
20277 CCCCN(C(=O)CC(C)C)C1=CC=CC=C1~    6.160
20278 CC[N+]1(CCCCC1)CC(=O)C2=CC=CC=C2~   15.018
20279 CC1=CC(=C(O)C(=C1)C)CNC2CCCCC2~    9.510
20280 CCCN(CCC)C(=O)C1=C(OCC)C=CC=C1~    8.585
20281 CC[C](CCN(C)C)(OC(C)=O)C1=CC=CC=C1~    7.662
20282 CC1=C(OC[CH](O)CN2CCCCC2)C=CC=C1~   10.936
20283 COC1=CC=C(CNC2CCCCC2)C=C1OC~    8.069
20284 CCCCOC1=CC=C(C=C1)C(=O)CCN(C)C~    9.049
20285 CCN(CC)CCOC1=CC=C(C=C1)C(=O)CC~    9.049
20286 CCN(CC)CCOC(=O)C1=CC(=C(C)C=C1)C~    7.310
20287 C[CH]1CC2=C(C=C(OCC[N+](C)(C)C)C=C2)C1=O~   17.750
20290 CC(C)(C)C1=CC(=C(O)C=C1)CN2CCOCC2~   11.265
20292 CCCCCCCCOC(=O)NC1=CC=CC=C1~    6.799
20295 CC(C)(C)C1=CC(C)(C=C(C1=O)C(C)(C)C)[N+]([O-])=O~    6.939
20298 COC1=C(OCCCN2CCOCC2)C(=CC=C1)OC~   11.175
20303 CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O~    9.650
20304 CCOC(=O)[CH]1[CH](C)N2CCC[CH]2[CH](C(=O)OCC)C1=O~   12.830
20305 CCOC(=O)[C]12CCC[C](CN(C)C1)(C(=O)OCC)C2=O~   12.830
20306 C[CH]1C[C](C)(O)C[CH]([CH](O)CC2CC(=O)NC(=O)C2)C1=O~   15.889
20307 CCOC(=O)CCOC1=CC(=CC=C1)N(CCO)CCO~   13.300
20310 C1CCN(C1)CCNN2CCC3=C(C2)C=CC=C3~   11.513
20311 NC1=CC=C(C=C1)C(=O)NCCCN2CCCCC2~   14.810
20313 CCOC(=O)N[CH](CC(C)C)C(=O)NNC1=CC=CC=C1~   11.401
20314 CCCCC(CC)=NNS(=O)(=O)C1=CC=C(NC(C)=O)C=C1~   11.150
20315 CCCCCCC=NNS(=O)(=O)C1=CC=C(NC(C)=O)C=C1~   11.150
20316 COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)NNC(C)C~   16.107
20317 CCN(CC)CCOCCOC(=O)NC1=CC=C(C=C1)[N+]([O-])=O~   14.810
20319 CC(C)CNC(=S)NN=CC1=CC=C(C=C1)C(C)C~    6.467
20320 CC1=NC(=NC(=C1[N+]([O-])=O)N2CCCCC2)N3CCCCC3~    6.577
20321 C[C]12CCCC[CH]1C3=C(CCCC3)CC2~    0.638
20322 CC1=CCCC(=C)[CH]2CC(C)(C)[CH]2CC1~    0.161
20323 CC1=CC[C]2(C)CCCC(C)(C)[C]23C[CH]13~    0.710
20324 CC(C)[CH]1CC=C(C)[CH]2CC=C(C)C[CH]12~    0.089
20325 C1CCCCN(CCC1)CCC2=CC=CC=N2~    7.907
20326 C=CCN(CC=C)CC=CN(CC=C)CC=C~    6.830
20327 CCCC[N+]1(C)CCN=C1CC2=CC=CC=C2~   14.717
20328 C[CH]1CN(CCO)CCN1CCC2=CC=CC=C2~   13.135
20329 COC1=C(C=CC=C1)N2CCN(CC2)C(C)(C)C~    8.463
20330 C[CH]1CN(CCCO)CCN1CC2=CC=CC=C2~   13.135
20331 COC1=C(C=CC=C1)N2CCN(CC2)CC(C)C~    8.463
20332 CC[CH](C)N1CCN(CC1)C2=C(OC)C=CC=C2~    8.463
20333 CCCCOC(=N)N(CCCC)C1=CC=CC=C1~    6.783
20334 CN(C)CC[CH](C(=O)C(C)(C)C)C1=CC=CC=N1~   10.971
20336 CCCC[CH](CC)COC(=N)NC1=CC=CC=C1~    7.971
20337 CCCCNC(OCCCC)=NC1=CC=CC=C1~    7.754
20338 CCN(CC)CCOC(=O)C1=C(C)C=C(N)C=C1C~   10.762
20339 CNC(=O)OC1=C2CCCCC2=C(C=C1)[N+](C)(C)C~   18.428
20340 CCN(CC)CC(C)(C)COC(=O)C1=CC=CN=C1~    9.910
20342 CCOC1=CC=C(C=C1)C(=O)NCCN(CC)CC~   12.354
20343 COCCCN1CCN(CC1)C2=C(OC)C=CC=C2~   10.519
20344 CCCCNC(C)(C)COC(=O)C1=CC=C(N)C=C1~   10.818
20345 CCCCCN[CH](C)COC(=O)C1=CC=C(N)C=C1~   10.818
20346 CCN(CC)C(C)(C)COC(=O)C1=CC=C(N)C=C1~   10.600
20347 CC[CH](CN(CC)CC)OC(=O)C1=CC=C(N)C=C1~   10.600
20348 CCOC(=O)C1=C(C)N2CN(CC2=C1C)C(C)(C)C~    9.067
20349 CCN(CC)CCOCCOC(=O)C1=CC=C(N)C=C1~   12.656
20350 CCCCOC1=C(N)C=C(C=C1)C(=O)OCCN(C)C~   11.951
20352 CCCNCCOC(=O)C1=CC(=C(OCCC)C=C1)N~   12.170
20353 COC1=CC(=CC(=C1OC)OC)CN2CCN(C)CC2~   12.752
20355 CCCNCCOC(=O)C1=CC=C(N)C(=C1)OCCC~   12.170
20356 C[CH](NCCN1CCCC1)[CH](O)C2=CC(=C(O)C=C2)O~   21.320
20357 CC[N+](C)(CC)CCCN1C(=O)C2=C(C=CC=C2)S1(=O)=O~   19.523
20358 OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)C(=O)NNC1=CC=CC=C1~   20.593
20359 CCCCSCN1CCN(CC1)C2=CC=CC=C2~    6.538
20361 CCN(CC)CC(=O)NC1=C(C)C=C(C=C1C)C(=O)NN~   15.447
20362 CCCSSC(CCO)=C(C)N(CC1=C(N)N=C(C)N=C1)C=O~   19.593
20363 CCCCCCCOC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C~   10.936
20364 CCCCCCCCCCSC1=C2N=CNC2=NC=N1~    8.541
20365 CC1(C)NC(=N)NC(=N)N1C2=CC=C(C=C2)N(CCO)CCO~   19.564
20366 CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C~    5.385
20367 COC1=CC=C(C=C1)C(C)(C)CC(C)(C)C~    2.592
20368 CC(C)C[C](C)(O)CCCC1=CC=CC=C1~    5.678
20369 CC1=C(CC[C](C)(O)C#C)C(C)(C)CCC1~    5.022
20370 CC(=O)[C]1(C)CCC2=C(C1)C(C)(C)CCC2~    3.451
20371 CCCCOC(OCCCC)C1=CC=CC=C1~    4.650
20373 C[CH]1CC[C]23CC[CH]([CH](C)[CH]2OC(C)=O)[CH]3C1~    3.347
20374 CC(C)(C1CCC(=O)CC1)C2CCC(=O)CC2~    6.959
20375 C[CH]1C[CH]2O[CH]2C[CH]1COC[CH]3CC[CH]4O[CH]4C3~    7.496
20376 COC1=CC=CC(=C1OC)CO[CH](C)OCC(C)C~    7.353
20378 C=CCOC(=O)CCCCCCCC(=O)OCC=C~    5.405
20380 CCOC(=O)C[CH](C(C(=O)OCC)C(=O)OCC)C(=O)OCC~   10.886
20381 CCOC(=O)C(CC(C(=O)OCC)C(=O)OCC)C(=O)OCC~   10.886
20382 COC(=O)C(C(CC(C)C)C(C(=O)OC)C(=O)OC)C(=O)OC~   10.886
20383 CCOC(=O)[C](CO)(C[C](CO)(C(C)=O)C(=O)OCC)C(C)=O~   17.860
20384 CCCCCCCCCC1=CC=C(S)C=C1~    2.255
20386 CN(C)CCC1=C(C)C(=C(C)C(=C1C)C)C~    5.193
20387 CC[N+]1(CCCCC1)CCC2=CC=CC=C2~   13.412
20389 CC[CH](O)[CH](C[CH](C)N(C)C)C1=CC=CC=C1~    9.229
20390 CC(C)CNC[CH](O)CCC1=CC(=CC=C1)C~    9.527
20391 CC(C)CNC[CH](O)CC1=C(C)C=CC(=C1)C~    9.607
20392 CC(C)(C)NCC1=CC(=CC=C1O)C(C)(C)C~    9.074
20393 CCC(CC)[CH](OC(=O)C=CC)C#CCN(C)C~    7.364
20394 CC1(C)O[C]1(OCC[N+](C)(C)C)C2=CC=CC=C2~   17.322
20395 CCCCCNC[CH](O)CC1=C(OC)C=CC=C1~   10.799
20396 CCOC1=C(C[CH](O)CN(CC)CC)C=CC=C1~   10.580
20397 CCOC1=CC=C(C[CH](O)CNCC(C)C)C=C1~   10.799
20400 CCCCCCCCS(=O)(=O)NCC1=CC=CC=C1~    5.565
20402 CC(C)(C)C1=CC(=C(O)C=C1)CN(CCO)CCO~   14.728
20403 C[CH]1C[CH](C)[CH](O)[CH](C1)[CH](O)CC2CC(=O)NC(=O)C2~   12.472
20404 CCCCOC(=O)[CH]1C[C]1(C)C=NOCCC(=O)OCC~    7.343
20405 COC1=CC(=CC(=C1OC)OC)C(=O)OCC[N+](C)(C)C~   19.467
20406 C[CH](CN(C[CH](C)OC(C)=O)C(=O)[CH](C)OC(C)=O)OC(C)=O~   13.674
20407 CCCCCCCCCCSC1=CC=CC=N1~    3.991
20408 NC1=C(OCCCCCN2CCNCC2)C=CC=C1~   13.640
20409 CNC1=CC=C(OCCCCN2CCNCC2)C=C1~   13.421
20410 NCCCOCCN1CCN(CC1)C2=CC=CC=C2~   13.155
20411 O[CH](CNCCN1CCNCC1)CC2=CC=CC=C2~   17.123
20412 CCCCN(CCCC)CC(=O)NC1=CC=CC=N1~   12.360
20414 CCN(CC)CCC1(C2CCCC2)C(=O)NC(=O)NC1=O~   15.488
20415 CN(C)C(=O)OC1=C(OC(=O)N(C)C)C=C(C=C1)[N+](C)(C)C~   19.745
20416 CC1=C(CC=C(C)C=NNC(N)=S)C(C)(C)CCC1~    5.025
20419 CCCCCCCCCCN1C=NC2=C1N=C(N)N=C2O~   11.150
20420 CCCCCCCCCCN1C=NC2=C(S)N=C(N)N=C12~    6.590
20421 CCCCNCC1=CC=C(C=C1)N(CC)CC~    7.056
20422 CC(C)C1=CC(=C(N)C(=C1N)C(C)C)C(C)C~    8.305
20423 CCCCN(CCCC)CCC1=CC=CC=N1~    7.553
20424 CC(C)CN(CCC1=NC=CC=C1)CC(C)C~    7.553
20426 CCN(CC)C[CH](O)CNC1=C(C)C=CC=C1C~   12.542
20429 O=C1[CH](CC[CH]1CN2CCOCC2)CN3CCOCC3~   15.106
20430 C=CCN(CC=C)S(=O)(=O)CCCS(=O)(=O)N(CC=C)CC=C~    8.132
20431 S=C1N(CCN1C2CCCCC2)C3CCCCC3~    5.272
20432 CCN(CC)CC[CH](CNC(N)=N)C1=CC=CC=C1~   14.072
20433 CCCCCCCCCCNC(=O)NC=C(C#N)C(N)=O~   17.075
20434 C[CH]1CC[CH](CC2=C1CC[CH]2C)C(C)(C)O~    4.470
20437 CC1CCC2C(C)(C)C3CC12CCC3(C)O~    4.914
20438 CCC(=O)OC1CCC(CC1)C2CCCCC2~    2.991
20439 CCC(=O)O[CH]1CCCC[CH]1C2CCCCC2~    2.991
20440 O=C(CCCC1CCCCC1)OC2CCCC2~    2.991
20441 C=CCOC(=O)CCCCCC1CCCCC1~    2.762
20442 O=C(CCC1CCCCC1)OC2CCCCC2~    2.991
20443 CCC1(CC)COC(OC1)[CH]2CC=CC[CH]2C~    3.587
20444 CC(C)=C[CH]1[CH](CO[CH]2CCCCO2)C1(C)C~    4.415
20445 CCCCCCCCCCCC(=O)OCC#C~    3.187
20446 CC(C)CC(=O)O[C](C)(CCC=C(C)C)C=C~    2.391
20447 C[CH](CCC=O)[CH]1CC(C)(C)[CH]1CCC(C)=O~    6.343
20449 CCC[CH](C)C(CC=C)(C(=O)OCC)C(=O)OCC~    5.277
20450 CCCCCC(=O)OC(OC(=O)CCCCC)C=C~    5.277
20451 CC(C)COC(=O)C(=CC(C)C)C(=O)OCC(C)C~    5.680
20452 O=C1CCCCCCCCCCCC(=O)OCCO1~    5.504
20453 CCOC(=O)C(CC=CC)([CH](C)CC)C(=O)OCC~    5.205
20455 CCCOC(=O)CC(CC(=O)OCCC)C(=O)OCCC~    8.018
20456 CC1(C)OC[CH](O1)[CH]2OC(C)(C)O[CH]2[CH]3COC(C)(C)O3~   12.105
20458 CCCCC(=O)N[CH]1C[CH]2CC[C]1(C)C2(C)C~    6.845
20460 CCOC(=O)N(C1CCCCC1)C2CCCCC2~    6.077
20463 CCOC(=O)CCN([CH](CC(C)C)C(=O)OCC)C(C)=O~   10.354
20465 CCOC(=O)CCN(CCC(=O)OCC)CCC(=O)OCC~   11.569
20466 CCCCOC(=O)OCCNC(=O)[CH](C)OC(=O)OCCCC~    9.924
20467 CN(C)CCN(CCN(C)C)CC1=CC=CC=C1~   11.893
20468 CN(C)CC1=CC(=C(O)C(=C1)CN(C)C)CN(C)C~   16.037
20470 CC[N+](C)(CC)CCOC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C~   22.752
20471 C[N+](C)(C)CCC[N+]1(C)CC2=CC=CC=C2C1~   19.309
20474 CCCCCCCCCCCC1=NN(CO)C=C1~    7.268
20476 CN(C)CC1(CN(C)C)C(=O)C=C(C)CC1(C)C~   10.542
20477 C1CC[CH]2CN(CCCN3CCOCC3)C[CH]2C1~    9.633
20478 CCOC(=O)N1CCCC[CH]1CCN2CCCCC2~    9.627
20481 CCCCCCCC[CH]1C[CH](C)CCC1=O~    3.184
20482 C[CH]1C[CH](C(=O)[CH](C1)C(C)(C)C)C(C)(C)C~    3.184
20483 CC(C)CCCC1CCC(C)(CC1)C(C)=O~    3.184
20484 C[CH](O)[C]1(C)CC[CH]2CCCC(C)(C)[CH]2C1~    4.559
20485 CCCCOC(=O)CCCCCCCCC=C~    2.408
20487 CCCC[CH](CC)CC[CH](C)OC(=O)C=CC~    2.609
20488 CCCCC1(CC)COC2(CCCCC2)OC1~    3.530
20489 CC(C)OC(=O)CCCCCC1CCCCC1~    2.635
20490 CCCOC(=O)CCCCCC1CCCCC1~    2.635
20495 CCCCCCCCCCCC(=O)OCC=C~    2.408
20497 CCC(CC)C(=O)O[CH]1CCCC[CH]1C(C)C~    2.635
20498 C[CH]1CCO[CH](CCCCCCCCC=C)O1~    3.303
20499 C[CH]1O[CH](CCCCCCCCC=C)O[CH]1C~    3.303
20500 CCCCCCCCCCCCOC(=O)C=C~    2.680
20501 CCCCCCCC(=O)O[CH]1CCCC[CH]1C~    2.635
20502 CCCCCC(=O)OC1CCC(CC1)C(C)C~    2.635
20503 CCCCCC(=O)O[CH]1CCCC[CH]1C(C)C~    2.635
20504 O=C1CCCCCCCCCCCCCCO1~    2.635
20505 CCC[CH]1OC2(CCC(C)CC2)OC[CH]1CC~    3.530
20506 CC[CH](OC(C)=O)[CH]1C[CH](CC[CH]1C)C(C)C~    2.635
20507 C[CH]1CC[CH](C(C)C)C2(C1)OCC(C)(C)CO2~    3.530
20509 CCCCOCCOC(=O)CCC1CCCCC1~    4.690
20511 CCCCCCCC(=O)OCCC[CH]1CCCO1~    5.590
20513 CCCCCCCC[C]1(OC1(C)C)C(=O)OCC~    4.340
20514 CCCCCCCCC[C]1(C)O[CH]1C(=O)OCC~    4.340
20515 O=C1CCCCCCCCCCOCCCCO1~    4.690
20516 CCCCC1(CC)COC(C)(CC(=O)OCC)OC1~    6.044
20517 CCCCC(CCCC)(C(=O)OCC)C(=O)OCC~    5.149
20518 CCCCCCCCC[CH]1OC[CH](COC(C)=O)O1~    6.044
20520 CCCCCCC(CC)(C(=O)OCC)C(=O)OCC~    5.149
20521 CCCCCOC(=O)O[CH](C)C(=O)OCCOCCCC~    5.804
20522 C[CH](CCN[CH](C#C)C(C)C)CC(C)(C)C~    4.087
20523 C1CCCC(CC1)CCN2CCCCCC2~    3.672
20525 CC(C)CCN1CCC2(CCCCC2)CC1~    3.672
20526 CC(C)CNC(=O)CCCCC1CCCCC1~    6.489
20527 CCN(CC)C(=O)CCCCCCCC=CC~    5.971
20528 CCCCNC(=O)[CH](C)OC(=O)[CH](CC)CCCC~    8.152
20529 CCCCCCCCCCCC(=O)O[CH](C)C(N)=O~    8.371
20530 CCCCCCCCCCC[CH](NC(C)=O)C(O)=O~   10.085
20531 CCCCCCCCCC1OCC(CC)(CO1)[N+]([O-])=O~    6.418
20532 CCCCCCCCCCC1OCC(C)(CO1)[N+]([O-])=O~    6.418
20533 CCCCCCCCC[C]1(C)OC[CH](COC(N)=O)O1~    9.569
20534 C[N+](C)(C)CCN[N+]1(C)CCCC2=C1C=CC=C2~   21.072
20543 CCN(CC)CCC[CH](C)NCC1=C(C)N=C(N)N=C1~   11.564
20544 CCN(CC)CCC[CH](C)NCC1=C(N)N=C(C)N=C1~   15.114
20546 CCCCCCCCCCCCNCCC#N~    6.684
20547 CCCCCCCCCCCCN[CH](C)C#N~    6.684
20548 CCN(CC)CCCN1C[CH]2CCCC[CH]2C1~    7.223
20550 C[N+]1(C)CCC[CH](C1)C#CC[N+]2(C)CCOCC2~   21.012
20551 CC(C)C(=O)NCCCCCCN1CCCCC1~   10.040
20552 CCCCNC(OC1CCCCC1)=NCCCC~    6.893
20553 CCCCN(CCCC)C(=N)OC1CCCCC1~    6.893
20554 CNC(=O)O[CH]1[CH]([CH]2CC[C]1(C)C2(C)C)[N+](C)(C)C~   18.111
20555 CCCCCCCCCCCCN1CCNC1=S~    4.780
20556 CCCCCCN1CSC(=S)N(CCCCCC)C1~    1.315
20559 OCCN(CCO)C1=NC(=NC(=N1)N(CCO)CCO)N(CCO)CCO~   18.648
20560 CCCCCCCC(=O)CCCCCCC~    2.830
20561 CCCCCCCCCCC[C](C)(O)C=C~    3.775
20562 CC(C)C1C[CH](C(C)C)C(O)[CH](C1)C(C)C~    4.203
20563 CCCOC(=O)C(CC(C)(C)C)CC(C)(C)C~    2.280
20564 CCCCCCCCCCCCCC(=O)OC~    2.280
20566 CCCCCCCCC[CH]1O[CH](C)C[CH](C)O1~    3.175
20567 CCCCCCCCCC1OCC(C)(C)CO1~    3.175
20568 CCCCCC[CH]1OC[CH](CC)[CH](CCC)O1~    3.175
20570 CCCC[CH](CC)CC[CH](CC(C)C)OC=O~    2.020
20571 CCCCCCCC[CH]1O[CH](C)CC(C)(C)O1~    3.175
20574 CCCCCCCCCCOC(=O)CCCC~    2.280
20575 CCCCCCCCCCCOC(=O)CCC~    2.280
20576 CCCCCCCCCCCOC(=O)C(C)C~    2.280
20578 CCCCCCCOC(=O)CCCCCCC~    2.280
20579 CCCCCCCCCCCCCCC(O)=O~    4.662
20580 CCCCCCCC[CH]1OCC(C)(C)[CH](C)O1~    3.175
20581 CCCCCC[CH]1OCC(C)(C)[CH](O1)C(C)C~    3.175
20582 CCCCCCCCCCCC(=O)OCCC~    2.280
20584 CCCCCCCCC[C]1(C)OCC[CH](C)O1~    3.175
20585 CCCCCCCCCCC[CH]1OC[CH](C)O1~    3.175
20586 CCCCC[C]1(C)OC[CH](CC)[CH](CCC)O1~    3.175
20587 CCCCC[C]1(C)OCC(C)(C)[CH](O1)C(C)C~    3.175
20588 CCCCSCCCCCCCCCCC(O)=O~    6.757
20589 CCCCCCCCCCCC(=O)O[CH](C)CO~    6.717
20591 CCCCCCCC[CH]1OC[CH](CCCCO)O1~    7.613
20593 CCCCCCCCC[CH]1OC[CH](COCC)O1~    5.230
20595 CCCCCCC(=O)OCCOCCOCCCC~    6.388
20596 CCCCS(=O)(=O)CCCCCCCCCCC(O)=O~    8.857
20598 CCCCCCCC(C)=N[CH](C)CC(C)C~    0.714
20599 CCCCCCCCCCCCNC(=O)[CH](C)O~    6.939
20600 CCCCCCN(CCCCCC)C(=O)[CH](C)O~    6.721
20601 CCCCCCCCCCCCNCCC(O)=O~    8.431
20602 CCCCCCCCCCCCNC(=O)OCC~    5.585
20603 CCCCCCCCCCN1COC[C]1(C)CO~    8.509
20605 CCCCCCCCCNC(=O)[CH](O)[CH](O)[CH](O)[CH](O)CO~   12.688
20607 CCCCCCCCCCCCSC(=S)N(C)C~    2.578
20608 CCCCCCCCCCNC1=NCCCCN1~    8.609
20609 C[N+](C)(C)CCC[N+]1(C)C[CH]2CC=CC[CH]2C1~   17.810
20610 CCCCCCCCCCCCOC(=N)N(C)C~    6.538
20611 CCCCCCCCCCCCCCSC(N)=N~    7.015
20614 CCCCCCCCCCCCSC(NC)=NC~    6.578
20615 CCCCSCN1CCN(CSCCCC)[CH](C)C1~    5.717
20616 CCCCNC(=N)SCCCCCSC(=N)NCCCC~   14.184
20617 CCCCCC(O)(CCCC)CCCCC~    3.648
20619 CC(C)(C)CS(=O)(=O)OCC(C)(C)COS(=O)(=O)CC(C)(C)C~    8.180
20622 CCCCCCCCCCCCOCCCN~    5.452
20626 CCCCCCCCCCCCNCCCN~    7.167
20629 CCCCN(CCCC)C[CH](O)CN(CC)CC~   10.947
20630 CCN(CC)CCCNC(=S)NCCCN(CC)CC~   11.742
20631 CCCCCCCCCCCC[N+](C)(C)C~   11.226
20632 CCCC[CH](C)NCCCNCCN(CC)CC~   10.499
20633 CCN(CC)CC(CN(CC)CC)NCC(C)C~   10.281
20634 COC(=O)CCC(=O)N(CC[N+](C)(C)C)CC[N+](C)(C)C~   26.416
20635 CC[N+](C)(CC)CCC=CC[N+](C)(CC)CC~   17.097
20636 CC[N+](C)(CC)CCCCC[N+](C)(CC)CC~   17.041
20637 CC[N+](C)(CC)CCC(O)CC[N+](C)(CC)CC~   21.479
20638 OC(=O)C1=CC=CC2=C1C(=O)C3=C4C(=CC=C3)SN=C24~   13.975
20640 OC(=O)C1=CC(=CC(=C1)N2C(=O)C=CC2=O)N3C(=O)C=CC3=O~   20.600
20641 [O-][N+](=O)C1=C(C=O)C=C(OC(=O)OC2=CC(=C(C=C2)[N+]([O-])=O)C=O)C=C1~   14.086
20643 OC(=O)C1=CC2=C(C=C1)C(=O)C3=C(C=CC=C3)C2=O~   13.194
20644 OC1=CC=C2C(=C1)OC(=O)C3=C2OC4=C3C=CC(=C4)O~   14.326
20645 OC(=O)C1=C(O)C2=C(C=C1)C(=O)C3=C(C=CC=C3)C2=O~   14.077
20648 O1C2=C(C=CC=C2)C3=C1C4=C(C=C3)N=CC=C4~    8.184
20649 N#CC(=CC1=CC=CO1)C2=CSC3=C2C=CC=C3~    7.836
20650 CC1=C2SN=C3C4=C(C=CC=C4)C(=O)C(=C23)C=C1~    6.370
20651 O=CNC1=CC2=C(C=C1)C(=O)C3=C(C=CC=C3)C2=O~   14.303
20654 NC1=CC=CC2=C1C(=O)C3=C(C=C(C=C3)C(O)=O)C2=O~   16.646
20655 NC1=C(C=CC2=C1C(=O)C3=C(C=CC=C3)C2=O)C(O)=O~   16.646
20656 OC(=O)C1=C(C=CC=C1)C(=O)C2=CC3=C(OC(=O)N3)C=C2~   15.575
20657 C1=CC2=C(C=C1)C3=CC=CC4=CC=CC2=C34~    5.081
20658 C1=CC2=C3C(=C1)C=CC4=C3C(=CC=C4)C=C2~    5.081
20659 N#CC1=CC=C(C=CC2=CC=C(C=C2)C#N)C=C1~    7.936
20660 C1=CC2=C(C=C1)C3=NC4=CC=CC=C4N=C3C=C2~    8.565
20661 O=C1C(NC2=C1C=CC=C2)=C3NC4=CC=CC=C4C3=O~   13.300
20662 O=C(OC(C#N)(C#N)C1=CC=CC=C1)C2=CC=CC=C2~    8.496
20665 [O-][N+]1=C(C(=O)C2=CC=CC=C2)C(=NO1)C(=O)C3=CC=CC=C3~   15.609
20666 [O-][N+](=O)C1=C(N=C2C=CC=CC2=C1)C3=CC4=C(OCO4)C=C3~   12.616
20668 [O-][N+](=O)C1=C(C=CC=C1)C=C2N=C(OC2=O)C3=CC=CC=C3~    8.921
20669 [O-][N+](=O)C1=CC(=C(OC2=CC3=C(C=CC=C3)C=C2)C=C1)[N+]([O-])=O~    9.747
20672 O=C1N(C=NC2=C1C=CC=C2)C3=C4C=CC=CC4=NC=N3~   13.002
20673 OC1=C2C=CC(=CC2=CC(=C1N=NC3=C(C=C(C=C3)[N+]([O-])=O)[N+]([O-])=O)S(O)(=O)=O)S(O)(=O)=O~   27.295
20674 OC1=C(N=NC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C3=C(C=CC=C3)C=C1~   14.633
20675 OC1=C2C=CC=C3C=CC4=CC=CC(=C1)C4=C23~    5.240
20676 OC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34~    9.063
20677 O=C1C=CC(=O)C(=C1)C2=CC3=C(C=CC=C3)C=C2~   11.273
20678 O=C(C#CC(=O)C1=CC=CC=C1)C2=CC=CC=C2~    9.511
20680 O=C1C=CC(=O)C(=C1)SC2=C3C=CC=CC3=CC=C2~   12.071
20681 O=C1OC2=C(C=CC=C2)C=C1C(=O)C3=CC=CC=C3~    9.234
20682 O=C(C1C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3~   12.102
20683 O=C1OC(=O)C(=C1C2=CC=CC=C2)C3=CC=CC=C3~    8.103
20684 OC(=O)C1=C2C(=CC=C1)C=CC3=CC=CC(=C23)C(O)=O~   13.682
20685 OC(=O)C1=CC=C2C=CC3=C(C=CC=C3)C2=C1C(O)=O~   13.682
20686 O=CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C=O~   13.390
20687 O=C(C(=O)C1=CC2=C(OCO2)C=C1)C3=CC4=C(OCO4)C=C3~   13.983
20688 OC(=O)C1=C(C=CC=C1)C(=O)C2=CC(=C(C=C2)C(O)=O)C(O)=O~   19.801
20690 NC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34~    8.533
20692 OC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=CC=C3~   11.975
20693 O=C1OC(=NC1=CC2=CC=CC=C2)C3=CC=CC=C3~    6.516
20694 O=C(OC1=C2N=CC=CC2=CC=C1)C3=CC=CC=C3~    8.785
20695 OC(=O)C1=NC(=C2C=CC=CC2=C1)C3=CC=CC=C3~   11.975
20696 [O-][N+](=O)C1=C(C=CC=C1)C2=C3C=CC=CC3=CC=C2~    6.799
20697 O=C1O[CH](C2=CNC3=C2C=CC=C3)C4=C1C=CC=C4~    9.772
20698 OC1=C2N=CC=CC2=C(C=C1)C(=O)C3=CC=CC=C3~   13.588
20699 O=S1(=O)C2=C(NC3=CC=C4C=CC=CC4=C13)C=CC=C2~   10.668
20701 [O-][N+](=O)C1=C(SC=C(S1)C2=CC=CC=C2)C3=CC=CC=C3~    9.208
20702 OC1=C(C(=O)N(C2=CC=CC=C2)C1=O)C3=CC=CC=C3~    8.742
20703 CC(=O)NC1=C2C(=O)C3=CC=CC=C3C(=O)C2=CC=C1~   14.439
20706 OC(=O)C1=C2C=CC=CC2=NC(=C1O)C3=CC=CC=C3~   12.857
20707 O=C1CSC(=O)N1C2C3=C(OC4=C2C=CC=C4)C=CC=C3~    8.726
20708 OS(=O)(=O)C1=C2SC3=CC=CC=C3N=C2C4=CC=CC=C4C1~   11.860
20709 COC(=O)NC1=CC2=C(C=C1)C(=O)C3=C(C=CC=C3)C2=O~   13.889
20710 OC1=C2C=CC=CC2=C(C=C1S(O)(=O)=O)N=C3C=CC(=O)C=C3~   18.054
20711 N1C2=CC=CC=C2SC3=C1C=CC4=C3C=CC=C4~    8.567
20712 C1C=C2SC3=CC=CC=C3N=C2C4=C1C=CC=C4~    5.618
20713 OC1=CC=C(N=NC2=CC(=C(C=C2)[N+]([O-])=O)S(O)(=O)=O)C3=CC(=CC(=C13)O)S(O)(=O)=O~   28.873
20715 O=C1C=CC(=O)N1C2=CC=C(C=C2)N=NC3=CC=CC=C3~   10.051
20716 OC1=C2C=CC=CC2=C(C=C1)N=NC3=CC=C(C=C3)[N+]([O-])=O~   12.230
20717 OC1=C(C=CC2=CC(=CC=C2)[N+]([O-])=O)N=C3C=CC=CC3=N1~   14.570
20719 OC1=C2C=CC=CC2=CC=C1N=NC3=CC=C(C=C3)[N+]([O-])=O~   12.230
20720 [O-][N+](=O)C1=CC(=C(NC2=C3C=CC=CC3=CC=C2)C=C1)[N+]([O-])=O~   10.457
20721 OC1=CC=C2C=C(C=CC2=C1N=NC3=CC=C(C=C3)[N+]([O-])=O)S(O)(=O)=O~   18.561
20722 OC1=C2C(=CC(=C1N=NC3=CC=C(C=C3)[N+]([O-])=O)S(O)(=O)=O)C=CC=C2S(O)(=O)=O~   24.889
20723 OC1=C(C=C(C2=CC=CC(=C12)S(O)(=O)=O)S(O)(=O)=O)N=NC3=CC=C(C=C3)[N+]([O-])=O~   24.889
20724 OC1=CC=C2C=C(C=C(C2=C1N=NC3=CC=C(C=C3)[N+]([O-])=O)S(O)(=O)=O)S(O)(=O)=O~   24.889
20725 OC1=C(N=NC2=CC=C(C=C2)[N+]([O-])=O)C3=C(C=C(C=C3)S(O)(=O)=O)C=C1S(O)(=O)=O~   24.889
20726 OC1=C(N=NC2=CC(=CC=C2)[N+]([O-])=O)C3=C(C=C(C=C3)S(O)(=O)=O)C=C1S(O)(=O)=O~   24.889
20727 C1=CC=C(C=C1)C2=NN=NN2C3=CC4=CC=CC=C4N=C3~   13.662
20728 C1=CC=C(C=C1)C=C2C=CC3=C2C=CC=C3~    4.498
20729 C1=CC=C(C=C1)C2=CC=CC3=C2C=CC=C3~    4.394
20730 C1=CC=C(C=C1)C2=CN=C(C=N2)C3=CC=CC=C3~    7.764
20732 C1=CC=C(C=C1)C=CC2=C3C=CC=CC3=NN=C2~    8.192
20733 C1=CC=C(C=C1)N=NC2=CC3=C(C=CC=C3)C=C2~    5.842
20734 OC1=C(N=NC2=CC=CC=C2)C3=C(C=CC=C3)C=C1~    9.827
20735 OC1=CC=C(C=C1)N=CC2=NC3=C(C=CC=C3)C=C2~   11.883
20736 O=C1C2=CC=CC=C2C3=C1C=C(NCCC#N)C=C3~   12.539
20737 OC1=C2C=CC=CC2=C(C=C1)N=NC3=CC=CC=C3~    9.827
20738 OC1=C(C=CC2=CC=CC=C2)N=C3C=CC=CC3=N1~   12.167
20739 O=NN(C1=CC=CC=C1)C2=C3C=CC=CC3=CC=C2~    6.928
20740 O=NN(C1=CC=CC=C1)C2=CC3=C(C=CC=C3)C=C2~    6.928
20742 OC1=C(NC2=CC=CC=C12)C3=C(O)C4=CC=CC=C4N3~   18.917
20743 CC1=CC(=CC=C1N=C=O)C2=CC=C(N=C=O)C(=C2)C~    6.027
20744 OC1=NC2=C(C=CC=C2)N=C1CC(=O)C3=CC=CC=C3~   14.361
20745 OC(=O)C(=NC1=CC=CC=C1)C2=CNC3=C2C=CC=C3~   11.620
20746 O=CNC1=C2C=CC=CC2=C(NC=O)C3=C1C=CC=C3~   12.699
20747 O=C(CC#N)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2~   14.181
20748 O=C1C=CC(=O)N1C2=CC=C(NC3=CC=CC=C3)C=C2~   11.197
20749 CC1=NC2=CC=C(C=C2O1)C3=CC4=C(C=C3)N=C(C)O4~   11.087
20750 O=C(NC1=CC=CC=C1)OC2=C3N=CC=CC3=CC=C2~   11.987
20751 CC1=C2C=C(C=CC2=NC(=C1)C3=CC=CC=C3)[N+]([O-])=O~    9.638
20756 COC1=CC(=CC=C1N=C=O)C2=CC=C(N=C=O)C(=C2)OC~    8.569
20757 OC1=CC=C2C=C(C=CC2=C1N=NC3=CC=CC=C3)S(O)(=O)=O~   16.156
20760 [O-][N+](=O)C1=CC(=CC=C1)S(=O)(=O)NC2=C3C=CC=CC3=CC=C2~   10.047
20761 CC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C)C=C2)N=C=O)N=C=O~    9.247
20763 OC1=C(N=NC2=CC=CC=C2)C3=C(C=C1)C=CC(=C3)S(O)(=O)=O~   16.156
20765 OC1=CC=C(C=C1)N=NC2=C3C(=CC=C2)C=CC=C3S(O)(=O)=O~   16.156
20767 CC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(=O)C=CC2=CC=CC=C2~   11.400
20769 OC1=CC=C(C=C1N=NC2=C(O)C=CC3=C2C=CC=C3)S(O)(=O)=O~   20.139
20771 OC1=C(N=NC2=CC=CC=C2)C3=C(C=C(C=C3)S(O)(=O)=O)C=C1S(O)(=O)=O~   22.487
20772 OC1=C(N=NC2=CC=CC=C2)C(=CC3=CC=CC(=C13)S(O)(=O)=O)S(O)(=O)=O~   22.487
20773 OC1=CC(=CC2=CC(=C(N=NC3=CC=CC=C3)C(=C12)O)S(O)(=O)=O)S(O)(=O)=O~   26.470
20774 CCOC(=O)C(C1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O~   15.434
20775 O=C1C=C(NC2=NC=CC=C2)C(=O)C=C1NC3=NC=CC=C3~   19.932
20776 [O-][N+](=O)C1=CC=C(NN=CC2=C3C=CC=CC3=CC=C2)N=C1~   12.684
20778 OC(=O)C=CC(=O)NC1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+]([O-])=O~   18.785
20779 NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NC3=NC(=O)C(=O)C(=O)N3)C=C2~   22.561
20781 OC(=O)C1=CN=C(NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC=C(O)C=C3)S1~   21.024
20784 NC1=CC(=CC2=CC(=C(N=NC3=CC=C(C=C3)[N+]([O-])=O)C(=C12)O)S(O)(=O)=O)S(O)(=O)=O~   28.343
20785 NC1=CC=C2C=C(C=C(O)C2=C1N=NC3=C(C=C(C=C3)[N+]([O-])=O)S(O)(=O)=O)S(O)(=O)=O~   28.343
20787 CC1=NC(=CC=C1)C2=NC3=C(S2)N=C(S3)C4=CC=CC(=N4)C~   17.485
20789 CC(=O)C1=CC2=C3C=CC=CC3=CC=C2C=C1~    7.029
20790 CC(=O)C1=C2C=CC=CC2=CC3=C1C=CC=C3~    7.029
20793 OC1=CC=C(C=C1)C2=CC3=C(C=CC=C3)C=C2~    8.377
20795 COC(=O)C1=CC2=C3C=CC=CC3=CC=C2C=C1~    6.480
20797 O=C([CH]1CC2=CC=CC=C2C1=O)C3=CC=CC=C3~    9.197
20798 CCC1=CC2=C(C=C1)C(=O)C3=C(C=CC=C3)C2=O~    8.332
20799 O=C1OC2=C(C=CC3=C2C=CC=C3)C4=C1CCC4~    6.011
20800 OC(=O)[CH]1[CH]2[CH]1C3=CC=CC=C3C4=C2C=CC=C4~    9.015
20802 O=C(C=CC(=O)C1=CC=CC=C1)C2=CC=CC=C2~    9.363
20804 O=C1CCC(=O)C2=CC=C3CCC4=C3C2=C1C=C4~    9.384
20805 CC(=O)C1=CC2=C(C=C1)C3=CC=C(C=C3S2)C(C)=O~   10.440
20806 O=C(C=CC1=CC2=C(OCO2)C=C1)C3=CC=CC=C3~    9.570
20807 OC1=C(C(=O)O[CH]1C2=CC=CC=C2)C3=CC=CC=C3~   10.297
20809 CC1=CC=C2OC(=C(O)C(=O)C2=C1)C3=CC=CC=C3~    7.307
20810 CC1=CC2=C(O[CH](C(=O)C3=CC=CC=C3)C2=O)C=C1~    9.697
20811 O=C1OC(=O)[CH]([CH]1C2=CC=CC=C2)C3=CC=CC=C3~    6.991
20812 O=C([CH]1O[CH]1C(=O)C2=CC=CC=C2)C3=CC=CC=C3~    9.971
20813 OC1=CC=C(C=C1)C(=O)C=CC(=O)C2=CC=CC=C2~   13.346
20815 OC(=O)C(=CC1=CC=C(C=C1)C2=CC=CC=C2)C(O)=O~   14.333
20816 OC(=O)C(=CC1=CC2=C(OCO2)C=C1)C3=CC=CC=C3~   12.172
20817 COC1=C(O)C=CC(=C1)C=C2OC3=C(C=CC=C3)C2=O~   11.804
20818 OC(=O)C1=C(C[CH]2OC(=O)C3=C2C=CC=C3)C=CC=C1~   10.562
20819 COC1=CC=C(C=C1)C(=O)[CH]2OC3=CC=CC=C3C2=O~   10.967
20820 OC(=O)[CH]1[CH](C(O)=O)C2=C(C=CC=C2)C3=CC=CC=C13~   13.910
20823 O=C(OC1=CC=CC=C1)C=CC(=O)OC2=CC=CC=C2~    7.724
20824 OC(=O)C1=CC=C(C=CC2=CC=C(C=C2)C(O)=O)C=C1~   13.300
20825 OC(=O)C(=CC=CC1=C2C=CC=CC2=CC=C1)C(O)=O~   14.127
20830 O[CH](C(=O)C1=CC2=C(OCO2)C=C1)C3=CC4=C(OCO4)C=C3~   12.777
20832 N(C1=CC=CC=C1)C2=C3C=CC=CC3=CC=C2~    6.987
20833 C1CC2=C(C=CC=C2)C3=C1NC4=CC=CC=C34~    7.438
20834 N(C1=CC=CC=C1)C2=CC3=CC=CC=C3C=C2~    6.987
20836 CC1=C(C2=CC=CC=C2)C(=C3C=CC=CC3=N1)O~   11.217
20838 CC(=NO)C1=CC2=C3C=CC=CC3=CC=C2C=C1~    8.345
20839 CN1C(=O)C(=CC2=CC=CC=C12)C3=CC=CC=C3~    9.217
20840 COC1=CC=C(C=C1)C=C(C#N)C2=CC=CC=C2~    7.788
20842 OC1=CC=C(NC2=CC3=C(C=CC=C3)C=C2)C=C1~   10.971
20844 O=C(C[CH](C#N)C1=CC=CC=C1)C2=CC=CC=C2~    9.361
20847 O=C1C[CH](N(C2=CC=CC=C2)C1=O)C3=CC=CC=C3~   10.747
20849 CC(=O)NC1=C2C=CC=CC2=C3C=CC=CC3=C1O~   14.213
20850 CC(=O)C1=CC2=C(NC3=CC=C(C=C23)C(C)=O)C=C1~   12.031
20852 NC(=CC(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2~   11.730
20854 O=S(=O)(NC1=CC=CC=C1)C2=CC3=C(C=CC=C3)C=C2~    7.644
20855 OC(=O)C(NC(=O)C1=CC=CC=C1)=CC2=CC=CC=C2~   13.449
20856 CCOC(=O)C(=O)[CH](C#N)C1=C2C=CC=CC2=CC=C1~   11.519
20858 CCOC(=O)C1=CN=C2C=CC3=C(C=CC=C3)C2=C1O~   10.123
20859 [O-][N+](=O)[CH]1[CH]([CH]1C(=O)C2=CC=CC=C2)C3=CC=CC=C3~    9.453
20860 OC(=O)C1=CC2=C(N1)C=CC(=C2)OCC3=CC=CC=C3~   13.070
20861 OS(=O)(=O)C1=C2C(=CC=CC2=CC=C1)NC3=CC=CC=C3~   13.320
20863 OS(=O)(=O)C1=CC=CC(=C1)NC2=CC3=C(C=CC=C3)C=C2~   13.320
20864 [O-][N+](=O)C1=CC=C(C=C1)C(=O)OCC=CC2=CC=CC=C2~    8.094
20865 OC(=O)CC(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2~   15.928
20866 COC(=O)C1=CC2=C(NC3=CC=C(C=C23)C(=O)OC)C=C1~   10.932
20867 COC(=O)C1=C2NC3=C(C=CC=C3C2=CC=C1)C(=O)OC~   10.818
20868 COC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)[N+]([O-])=O~   10.267
20869 OC1=C2C=C(NC3=CC=CC=C3)C=CC2=C(C=C1)S(O)(=O)=O~   17.303
20873 OC1=C2C=CC(=CC2=CC(=C1)S(O)(=O)=O)NC3=CC=CC=C3~   17.303
20874 OC1=C2C=C(NC3=CC=CC=C3)C=CC2=CC(=C1)S(O)(=O)=O~   17.303
20877 NC1=C(N=NC2=CC=CC=C2)C3=C(C=CC=C3)C=C1~    9.295
20880 NNC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=CC=C3~   16.042
20881 OC(=O)C=CC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2~   16.381
20882 [O-][N+](=O)C1=CC=CC(=C1)C(=O)C[N+]2=C3C=CC=CC3=NC=C2~   17.496
20883 NC1=C2C=CC=CC2=C(C=C1)N=NC3=CC=C(C=C3)S(O)(=O)=O~   15.625
20887 NC1=C2C=CC=CC2=C(C=C1)N=NC3=CC(=CC=C3)S(O)(=O)=O~   15.625
20888 NC1=C2C=CC(=CC2=C(C=C1)N=NC3=CC=CC=C3)S(O)(=O)=O~   15.625
20889 OC1=C(C=CC=C1)C=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3~   15.502
20890 COC1=CC(=C(C=C1OC)[N+]([O-])=O)C(=CC2=CC=CC=N2)C#N~   14.303
20892 NC1=CC=C2C=C(C=C(O)C2=C1N=NC3=CC=CC=C3)S(O)(=O)=O~   19.607
20893 NC1=CC2=CC(=C(N=NC3=CC=CC=C3)C(=C2C=C1)O)S(O)(=O)=O~   19.607
20894 NC1=CC=C(C=C1)N=NC2=C(C3=CC=CC=C3C=C2S(O)(=O)=O)S(O)(=O)=O~   21.955
20896 NC1=C(N=NC2=CC=CC=C2)C3=C(C=C(C=C3)S(O)(=O)=O)C=C1S(O)(=O)=O~   21.955
20898 NC1=CC(=CC2=CC(=C(N=NC3=CC=CC=C3)C(=C12)O)S(O)(=O)=O)S(O)(=O)=O~   25.939
20900 NC1=C2C(=C(C=CC2=C(C=C1S(O)(=O)=O)S(O)(=O)=O)N=NC3=CC=CC=C3)O~   25.939
20901 NC1=CC=C(C=C1)N=NC2=C(C=C3C=C(C=C(O)C3=C2O)S(O)(=O)=O)S(O)(=O)=O~   29.921
20902 NC1=CC=C2C=C(C=C(C2=C1N=NC3=CC=C(C=C3)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O~   28.287
20903 C(N1C2=C(SC3=C1C=CC=C3)C=CC=C2)C4=CNC=N4~   10.495
20906 C1=CC=C(C=C1)C=CC=CC2=CC=CC=C2~    3.807
20907 CC1=C2C=CC=CC2=C(C)C3=C1C=CC=C3~    4.204
20912 NC1=CC=C(NC2=CC3=C(C=CC=C3)C=C2)C=C1~   10.441
20913 CC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3~    7.498
20914 NN(C1=CC=CC=C1)C2=C3C=CC=CC3=CC=C2~    8.398
20915 NN(C1=CC=CC=C1)C2=CC3=C(C=CC=C3)C=C2~    8.398
20917 ON=C(CC1=CC=CC=C1)[CH](C#N)C2=CC=CC=C2~   10.676
20918 CC(C)(NC1=CC2=C(C=C1)C3=CC=CC=C3O2)C#N~   10.633
20921 O=C(NCC#N)C(C1=CC=CC=C1)C2=CC=CC=C2~   13.178
20924 O=C1C[CH](C2=CC=CC=C2)C(=NN1)C3=CC=CC=C3~    9.943
20926 CC1=C(CN2C(=O)C3=C(C=CC=C3)C2=O)C=C(N)C=C1~   12.151
20927 ON=C(C=CC(=NO)C1=CC=CC=C1)C2=CC=CC=C2~   11.447
20928 ON=C1C[CH](N(C2=CC=CC=C2)C1=O)C3=CC=CC=C3~   11.145
20933 O=C(N1CC1)C2=C3C=CC=CC3=C(C=C2)C(=O)N4CC4~   12.197
20934 C[N+]1=C(SC2=C1C=CC=C2)C=CC3=CC=CC(=C3)[N+]([O-])=O~   15.141
20935 C[N+]1=C(SC2=C1C=CC=C2)C=CC3=CC=C(C=C3)[N+]([O-])=O~   15.141
20936 O=C1NC(=O)[C](CSC2=CC=CC=C2)(N1)C3=CC=CC=C3~   12.445
20938 O=S(=O)(CC1=CC(=NN1)C2=CC=CC=C2)C3=CC=CC=C3~   11.276
20939 C[N+]1=C(OC2=C1C=CC=C2)C=CC3=CC=CC(=C3)[N+]([O-])=O~   14.876
20941 CC1=CC=C(NC(=O)N[CH]2OC(=O)C3=C2C=CC=C3)C=C1~   11.775
20943 OC1=C(C(=O)C(=C(C1=O)[N+]2=CC=CC=C2)O)[N+]3=CC=CC=C3~   17.410
20945 COC1=C(OC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C=CC(=C1)CC=C~    9.804
20946 CC(=O)NS(=O)(=O)C1=CC=C(NC(=O)C2=C(C=CC=C2)C(O)=O)C=C1~   17.004
20947 OC1=CC=C2C=CC=CC2=C1N(NC3=CC=C(C=C3)S(O)(=O)=O)S(O)(=O)=O~   21.620
20948 C(SC1=NC(=CN1)C2=CC=CC=C2)C3=CC=CC=C3~    9.168
20949 CSC1=NNC(=C(S1)C2=CC=CC=C2)C3=CC=CC=C3~   11.045
20950 CC(=O)NC1=CC=C(C=C1)C=NNC2=NC3=CC=CC=C3S2~   16.485
20951 C1CN=CC2=C(ON=NOC3=C(C=CC=C3)C=N1)C=CC=C2~    8.199
20953 CC(=NN=C(C)C1=CC(=CC=C1)[N+]([O-])=O)C2=CC=CC(=C2)[N+]([O-])=O~    8.975
20954 OC(=O)C(=NNC1=CC=CC=C1)C(=NNC2=CC=CC=C2)C(O)=O~   16.987
20955 [O-][N+](=O)C1=CC=CC(=C1)C=NCCN=CC2=CC(=CC=C2)[N+]([O-])=O~   10.367
20956 CC1=CC(=C2C=C(NS(=O)(=O)C3=CC=C(C=C3)[N+]([O-])=O)C=CC2=N1)N~   16.339
20957 CC1=NN(C2=CC=CC=C2)C(=O)[CH]1N=NC3=C(C=CC=C3)S(O)(=O)=O~   15.175
20959 CC(=O)NC1=C(C=C(OC2=CC(=C(NC(C)=O)C=C2)[N+]([O-])=O)C=C1)[N+]([O-])=O~   14.738
20960 S[CH]1N=C(N2[CH](S)N=C(N12)C3=CC=CC=C3)C4=CC=CC=C4~    4.541
20961 N(C(NC1=CC=CC=N1)=NC2=CC=CC=N2)C3=CC=CC=N3~   20.056
20963 NC1=NC(=C(N=NC2=CC=CC=C2)C(=N1)O)NC3=CC=CC=C3~   15.693
20964 CN1C=NC(=C1SC2=C3N=CN(CC4=CC=CC=C4)C3=NC(=N2)N)[N+]([O-])=O~   14.244
20965 [O-][N+](=O)C1=C(C=CC=C1)C=NNC(=N)C(=N)NN=CC2=C(C=CC=C2)[N+]([O-])=O~   18.170
20966 [O-][N+](=O)C1=CC=CC(=C1)C=NNC(=N)C(=N)NN=CC2=CC=CC(=C2)[N+]([O-])=O~   18.170
20967 [O-][N+](=O)C1=CC=C(C=C1)C=NNC(=N)C(=N)NN=CC2=CC=C(C=C2)[N+]([O-])=O~   18.170
20968 CC(=CC(=O)C1=CC=CC=C1)C2=CC=CC=C2~    6.440
20969 CC(=O)C1=CC2=C(C=C1)C3=C(CC2)C=CC=C3~    6.394
20970 CC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2~    6.592
20971 O=C(CC1=CC=CC=C1)C=CC2=CC=CC=C2~    7.025
20972 CC1(C)C2=C(C=CC=C2)C(=O)C3=C1C=CC=C3~    5.860
20973 O[CH]1CC2C3=C(C=CC=C3)C1C4=C2C=CC=C4~    8.258
20974 C1CCC2=C(C1)OC3=CC=C4C=CC=CC4=C23~    4.314
20975 CC1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2~    6.592
20976 CC(OC(=O)C1=CC=CC=C1)=CC2=CC=CC=C2~    4.790
20981 O[CH](C#C[CH](O)C1=CC=CC=C1)C2=CC=CC=C2~   10.028
20982 CC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C)C=C2~    8.026
20983 O=C(CC1=CC=CC=C1)C(=O)CC2=CC=CC=C2~    8.889
20984 OC(=O)C(CC1=CC=CC=C1)=CC2=CC=CC=C2~    8.785
20986 COC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2~    7.863
20987 O=C(OCC1=CC=CC=C1)C=CC2=CC=CC=C2~    6.476
20988 O=C1O[CH](CC2=CC=CC=C2)[CH]1C3=CC=CC=C3~    6.175
20989 CC(=O)C1=CC=C(SSC2=CC=C(C=C2)C(C)=O)C=C1~    9.793
20990 CC(=O)C1=CC=C(OC2=CC=C(C=C2)C(C)=O)C=C1~    9.408
20992 CCOC(=O)C1=C(C=CC=C1)C(=O)C2=CC=CC=C2~    7.780
20993 CC(=O)O[CH](C(=O)C1=CC=CC=C1)C2=CC=CC=C2~    7.876
20994 COC1=CC=C(C=CC(=O)C2=C(O)C=CC=C2)C=C1~    8.745
20996 CCOC(=O)C1C2=C(OC3=C1C=CC=C3)C=CC=C2~    6.821
20998 OC(=O)CCC1=C2C=CC=C3C(=O)CCC(=C23)C=C1~    9.750
20999 COC1=CC=C(C=C1)C=C(C(O)=O)C2=CC=CC=C2~   10.465
21000 COC1=CC=C(C=CC(=O)C2=CC=C(O)C=C2)C=C1~   11.845
21001 OC(=O)C[CH](C(=O)C1=CC=CC=C1)C2=CC=CC=C2~   11.107
21002 O[C]1(COC(=O)[CH]1C2=CC=CC=C2)C3=CC=CC=C3~   10.611
21003 CCOC(=O)C1(O)C2=C(C=CC=C2)C3=CC=CC=C13~    7.084
21005 COC1=C(C=CC=C1)C(=O)CC(=O)C2=CC=CC=C2~   10.112
21006 C1O[CH]1C2=CC=C(OC3=CC=C(C=C3)[CH]4CO4)C=C2~    8.917
21008 OC(=O)[CH](CC(=O)C1=CC=CC=C1)C2=CC=CC=C2~   11.107
21012 O=C(CCC(=O)OC1=CC=CC=C1)OC2=CC=CC=C2~    7.121
21013 COC1=C(C=CC=C1)C(=O)C(=O)C2=C(OC)C=CC=C2~   10.567
21014 O=CC1=C(OCCOC2=C(C=O)C=CC=C2)C=CC=C1~   10.943
21016 COC1=CC(=CC=C1O)C(=O)C=CC2=C(O)C=CC=C2~   15.830
21017 COC1=C(O)C=CC(=C1)[CH]2CC(=O)C3=C(O2)C=CC=C3~   12.896
21018 COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(OC)C=C2~   10.567
21019 COC1=CC=C(C=C1)C(=O)OC2=C(C=CC=C2)C(C)=O~    8.860
21020 CC(=O)OC(C(O)=O)(C1=CC=CC=C1)C2=CC=CC=C2~   10.220
21021 O=C(CC1=CC=CC=C1)OCC2=CC3=C(OCO3)C=C2~    8.876
21022 OC(=O)C1=CC=C(CCC2=CC=C(C=C2)C(O)=O)C=C1~   12.588
21023 O[CH]1[CH](OC(=O)[C]1(O)C2=CC=CC=C2)C3=CC=CC=C3~    8.419
21024 O=C(OCCOC(=O)C1=CC=CC=C1)C2=CC=CC=C2~    7.664
21025 COC1=C(C=CC=C1)C(=O)CC(=O)C2=C(O)C=CC=C2~   10.996
21026 CC1=CC(=C(C=C1O)[C]2(C)OC(=O)C3=C2C=CC=C3)O~   13.788
21028 COC1=CC=C(C=CC(=O)C2=C(O)C=CC(=C2)O)C=C1~   12.728
21029 COC1=C(OC)C=C(C=C1)[CH]2OC(=O)C3=C2C=CC=C3~    8.445
21032 COC(=O)C1=C(SSC2=C(C=CC=C2)C(=O)OC)C=CC=C1~    8.697
21033 OC(=O)CC1=CC=C(SSC2=CC=C(CC(O)=O)C=C2)C=C1~   14.487
21035 OC1=CC2=C(C=C1)[CH]3C4=C(C[C]3(O)CO2)C=C(O)C(=C4)O~   21.478
21037 O[CH]([CH](C(O)=O)C1=CC=CC=C1)C2=CC3=C(OCO3)C=C2~   15.697
21039 OC1=CC2=C(C=C1O)[CH]3C4=C(OC[C]3(O)C2)C(=C(O)C=C4)O~   25.460
21040 COC1=CC(=CC=C1O)C(=O)C(=O)C2=CC=C(O)C(=C2)OC~   18.533
21041 COC1=CC(=CC(=C1O)C2=C(O)C(=CC(=C2)C=O)OC)C=O~   19.011
21042 OC(=O)[CH]([CH](C(O)=O)C1=CC=C(O)C=C1)C2=CC=C(O)C=C2~   21.418
21043 CC(=O)OC1=CC(=C2C=CC=CC2=C1OC(C)=O)OC(C)=O~    9.038
21044 CC(=O)OC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(OC(C)=O)C=C2~   10.442
21045 OC(=O)COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(OCC(O)=O)C=C2~   17.616
21046 C1CCC2=CC3=C(SC4=C3C=CC=C4)C=C2C1~    4.578
21048 CC1=C2NC(=CC2=C(C)C=C1)C3=CC=CC=C3~    7.082
21049 C[N+]1=C(C=CC2=CC=CC=C12)C3=CC=CC=C3~   11.947
21050 C[CH]([CH](C#N)C1=CC=CC=C1)C2=CC=CC=C2~    6.455
21051 C(C1=CC=CC=C1)[N+]2=CC3=C(C=CC=C3)C=C2~   11.924
21054 CN(C(=O)C=CC1=CC=CC=C1)C2=CC=CC=C2~    8.524
21055 CN(C(C)=O)C1=CC2=C(C=C1)C3=CC=CC=C3C2~    8.406
21056 CCCNC1=CC2=C(C=C1)C3=CC=CC=C3C2=O~    9.033
21057 CC(=CC(=NO)C1=CC=CC=C1)C2=CC=CC=C2~    7.483
21058 CC(=CC(=O)NC1=CC=CC=C1)C2=CC=CC=C2~    9.642
21060 C[CH](C#N)C(O)(C1=CC=CC=C1)C2=CC=CC=C2~   10.893
21061 O=C1NCCC1(C2=CC=CC=C2)C3=CC=CC=C3~   10.028
21062 CN1CCCC2=CC3=C(OC4=CC=CC=C34)C=C12~    6.489
21065 CC1=CC2=CC=CC=C2C=[N+]1CC(=O)C3=CC=CS3~   14.932
21066 COC1=CC=C(C=C1)C=CC(=NO)C2=CC=CC=C2~    8.907
21067 O=C(CC1=CC=CC=C1)NC(=O)CC2=CC=CC=C2~    9.427
21069 COC1=CC=C2C(=C1)CC3=C2C=CC(=C3)NC(C)=O~   10.947
21070 CN(C1=CC=CC=C1)C(=O)C(=O)C2=CC=C(C)C=C2~    9.959
21071 CN(CC(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2~   10.547
21073 O=C1N(C[CH]2C[CH]3C[CH]2C=C3)C(=O)C4=CC=CC=C14~    7.554
21074 CN(C)C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2~    9.910
21075 CCCCN1C(=O)C2=C3C(=CC=C2)C=CC=C3C1=O~    8.290
21076 CCOC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2~    9.046
21077 CCC(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2~   10.676
21080 NC1=C(C=CC=C1)C(=O)OCC=CC2=CC=CC=C2~    9.142
21082 [O-][N+](=O)C1=CC=C(CCCC(=O)C2=CC=CC=C2)C=C1~    8.259
21083 C[C]1(COC2=CC=CC=C2)NC(=O)C3=C(O1)C=CC=C3~   10.839
21084 CC1=CC=CC(=C1NC(=O)C2=C(C=CC=C2)C(O)=O)C~   13.524
21085 COC(=O)[CH](C(=O)NC1=CC=CC=C1)C2=CC=CC=C2~   11.924
21087 CCOC(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2~   10.127
21088 CC1=CC(=C(C(=C1)C)C(=O)C2=CC=C(C=C2)[N+]([O-])=O)C~    7.987
21089 [O-][N+](=O)C[CH](CC(=O)C1=CC=CC=C1)C2=CC=CC=C2~    9.098
21091 O[CH]([CH](NC(=O)C1=CC=CC=C1)C(O)=O)C2=CC=CC=C2~   17.548
21092 COC1=C(OCC2=CC=CC=C2)C=CC(=C1)C=C[N+]([O-])=O~    9.008
21093 N[CH](CC1=CC2=C(OCO2)C=C1)C3=CC4=C(OCO4)C=C3~   13.053
21095 OC(=O)CS[CH](NC1=C(C=CC=C1)C(O)=O)C2=CC=CC=C2~   15.599
21097 OC(=O)C1=C2CN(COC2=C(O)C(=C1)O)CC3=CC=CC=C3~   19.693
21098 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(OC(C)=O)C=C2~   14.463
21099 CCOC(=O)[CH]1C[CH](CN2C(=O)C3=C(C=CC=C3)C2=O)OC1=O~   12.883
21100 COC1=C(OC)C(=C(C=C1)C(=O)C2=CC=C(C=C2)[N+]([O-])=O)OC~   11.799
21101 CC(=O)OC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=C(C)C=C2)C(O)=O~   13.206
21102 CC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2~    7.253
21103 C1C[CH](SC(=N1)C2=CC=CC=C2)C3=CC=CC=C3~    6.706
21104 N#CC1C2CCC(C1C#N)C3C2N3C4=CC=CC=C4~   11.160
21106 CC(C=CC1=CC=CC=C1)=NNC(=O)C2=CC=NC=C2~   12.218
21108 CC1=C2C=CC=CC2=NC(=C1)NC3=CC=C(C=C3)S(N)(=O)=O~   13.936
21109 COC1=CC=CC(=C1OC)C=NNC2=NC3=CC=CC=C3S2~   13.000
21110 CCOC(=O)[CH](N=NC1=CC=CC=C1)C(=O)C2=CC=NC=C2~   12.192
21111 CCS(=O)(=O)C1=CC=C(C=C1)C=NNC2=NC3=CC=CC=C3O2~   13.793
21112 O=C1C=CC(=O)N1CCC[N+]2=CC=CC(=C2)N3C(=O)C=CC3=O~   24.719
21114 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC3=C(OCO3)C=C2~   15.917
21115 NC(=N)NC(=N)NC1=C2C=CC=CC2=C3C=CC=CC3=C1~   18.079
21116 N#C[CH]1[CH]2CC[CH]([CH]1C#N)[CH]3[CH]2N=NN3C4=CC=CC=C4~   12.394
21118 CC(C1=CC=CC=C1)=C(C)C2=CC=CC=C2~    3.517
21119 C1CCC(=CC1)C2=C3C=CC=CC3=CC=C2~    3.288
21120 C[CH](C=CC1=CC=CC=C1)C2=CC=CC=C2~    3.333
21121 CC(C)=C(C1=CC=CC=C1)C2=CC=CC=C2~    3.517
21122 CC1=C[N+](=CC=C1)CC2=NC3=C(C=CC=C3)C=C2~   14.767
21123 CC(=NC1=CC=CC=C1)C(C)=NC2=CC=CC=C2~    4.326
21126 CC(=NN=C(C)C1=CC=CC=C1)C2=CC=CC=C2~    4.168
21128 CC1=CC=C(C=C1)N2CC3=C(C=CC(=C3)C)N=C2~    6.199
21129 NC(=O)CCNC1=CC2=C(C=C1)C3=CC=CC=C3C2~   13.582
21130 NC(=O)N1CCC2=C(C=CC=C2)[CH]1C3=CC=CC=C3~   11.253
21131 CN(C)C1=CC=C(C=C1)N=CC(=O)C2=CC=CC=C2~    7.288
21132 O=C(CC1=CC=CC=C1)NN=CCC2=CC=CC=C2~    9.587
21135 O=C(NCC1=CC=CC=C1)C(=O)NCC2=CC=CC=C2~   12.301
21136 OC1=CC=C(C=C1)C=NCCN=CC2=CC=C(O)C=C2~   13.524
21137 COC1=CC=C(C=C1)C=NN=CC2=CC=C(OC)C=C2~    6.870
21138 OC1=C(C=CC=C1)C=NCCN=CC2=C(O)C=CC=C2~   13.524
21140 O=C(NCCNC(=O)C1=CC=CC=C1)C2=CC=CC=C2~   12.171
21142 CC(=O)NC1=CC=C(C=C1)C2=CC=C(NC(C)=O)C=C2~   12.066
21143 CN(C)C1=CC=C(C=CC2=CC=CC(=N2)C(O)=O)C=C1~   13.286
21144 O=C(NC1=CC=CC=C1)OCCN=CC2=CC=CC=C2~    9.812
21145 CC(=NN=C(C)C1=CC=C(O)C=C1)C2=CC=C(O)C=C2~   12.134
21147 O=C(CC1=CC=CC=C1)NNC(=O)CC2=CC=CC=C2~   11.807
21148 C[CH](NC(=O)C1=CC=CC=C1)C(=O)NC2=CC=CC=C2~   10.767
21149 CC(=O)NC1=CC=C(SC2=CC=C(NC(C)=O)C=C2)C=C1~   13.185
21150 C[CH]1CN(CC2=CC=CO2)C(=S)N(C1=O)C3=CC=CC=C3~    9.223
21151 CC(=O)NC1=CC=C(OC2=CC=C(NC(C)=O)C=C2)C=C1~   12.611
21152 CCOC(=N)C1=CC=C(OC(=O)NC2=CC=CC=C2)C=C1~   11.382
21154 CCOC[C]1(NC(=O)NC1=O)C2=C3C=CC=CC3=CC=C2~   12.593
21156 O=C(NNC(=O)OCC1=CC=CC=C1)OCC2=CC=CC=C2~   10.708
21158 CC1=CC(=C(C(=C1)[N+]([O-])=O)C2=C(C=C(C)C=C2C)[N+]([O-])=O)C~    8.020
21159 COC1=CC=C(C(=C1OC)C=NC2=CC=C(C)C=C2)[N+]([O-])=O~    8.824
21160 O[CH]([CH](O)C(=O)NC1=CC=CC=C1)C(=O)NC2=CC=CC=C2~   10.577
21161 CCOC(=O)C1=C(OC(=O)NNC2=CC=CC=C2)C=CC=C1~   12.541
21162 CC(=O)NC1=CC(=C2C=CC=CC2=C1OC(C)=O)NC(C)=O~   13.879
21163 CC(=O)NC1=CC=C(C=C1O)C2=CC=C(NC(C)=O)C(=C2)O~   20.031
21164 OC1=C(C=CC=C1)C(=O)NCCNC(=O)C2=C(O)C=CC=C2~   13.936
21165 CC(=O)NC1=CC(=C(SC2=C(O)C=C(NC(C)=O)C=C2)C=C1)O~   21.151
21167 OC1=C(NC(=O)CSSCC(=O)NC2=C(O)C=CC=C2)C=CC=C1~   21.836
21168 CCN(CC1=CC=CC=C1)C2=CC=C(SC#N)C=C2~    7.827
21169 S=C(NCC1=CC=CC=C1)C(=S)NCC2=CC=CC=C2~   10.876
21171 NC(=N)C1=CC=C(C=CC2=CC=C(C=C2)C(N)=N)C=C1~   14.842
21172 C1CC2=C(CN1CN3N=NC4=CC=CC=C34)C=CC=C2~   10.215
21174 CN(C)C1=C(C=C)C=C(C=C1)N=NC2=CC=C(C=C2)[N+]([O-])=O~    9.325
21177 CN1C(=O)N(C)C2=C(N(CC(O)=O)C(=N2)CC3=CC=CC=C3)C1=O~   16.625
21178 CC(=O)OCCN1C2=C(C=C(C)C(=C2)C)N=C3C(=O)NC(=O)N=C13~   12.690
21179 CC(NC1=CC=C(C)C=C1)=NNC2=NC3=CC=CC=C3S2~   13.532
21180 CC1=CC=C(C=C1)N=NC2=C(N)N(NC2=N)C3=CC=CC=C3~   11.914
21182 COC1=CC=C(C=C1)N=NC2=C(N)N(NC2=N)C3=CC=CC=C3~   13.184
21183 OC1=C(C=CC=C1)C=NNC(=N)C(=N)NN=CC2=C(O)C=CC=C2~   21.328
21184 OC1=CC=C(C=C1)C=NNC(=N)C(=N)NN=CC2=CC=C(O)C=C2~   21.328
21185 CN1C(=O)N(C)C2=C(N(C)C(=N2)NN=CC3=CC4=C(OCO4)C=C3)C1=O~   17.499
21187 O=C(NNC(=O)C1=CC=NC=C1)OCCOC(=O)NNC(=O)C2=CC=NC=C2~   27.259
21188 OS(=O)(=O)C1=C(C=CC=C1)C=NNC(=N)C(=N)NN=CC2=C(C=CC=C2)S(O)(=O)=O~   26.024
21190 O=C(CCCC1=CC=CC=C1)C2=CC=CC=C2~    5.854
21191 CC(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2~    6.368
21192 CCC(=O)C1=CC=CC(=C1C)C2=CC=CC=C2~    5.959
21193 CCCC1(O)C2=C(C=CC=C2)C3=CC=CC=C13~    7.845
21196 CC1=CC(=C(C(=C1)C)C(=O)C2=CC=CC=C2)C~    5.583
21198 CCC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~    6.368
21199 CC(C)(O)C1C2=C(C=CC=C2)C3=CC=CC=C13~    7.845
21200 CC1(O)C2=C(CCC3=C1C=CC=C3)C=CC=C2~    7.903
21201 C[CH]([CH](C(O)=O)C1=CC=CC=C1)C2=CC=CC=C2~    8.201
21203 OC(=O)C(CC1=CC=CC=C1)CC2=CC=CC=C2~    8.201
21204 O=C(CC1=CC=CC=C1)OCCC2=CC=CC=C2~    5.818
21205 CC1=CC=C(C=C1)[CH](O)C(=O)C2=CC=C(C)C=C2~    6.824
21206 CC1=CC=C(C=C1)C(C(O)=O)C2=CC=C(C)C=C2~    8.362
21208 CC[CH](C(O)=O)C1=CC=C(C=C1)C2=CC=CC=C2~    8.223
21209 CC(C)C1(O)C2=C(OC3=C1C=CC=C3)C=CC=C2~    8.389
21210 CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~    5.818
21212 CC1=CC=CC(=C1)C(=O)OCCC2=CC=CC=C2~    5.386
21213 CC[CH](C(=O)C1=CC=C(O)C=C1)C2=CC=CC=C2~    9.839
21214 O=C1[CH]2[CH]3C[CH](C=C3)[CH]2C(=O)[CH]4[CH]5C[CH](C=C5)[CH]14~    8.013
21215 CC1=C(C=CC=C1)C(=O)OCCC2=CC=CC=C2~    5.386
21216 CC1=CC=C(C=C1)C(=O)OCCC2=CC=CC=C2~    5.386
21217 C[CH]1CCCC2=CC(=C3C=CC=CC3=C12)C(O)=O~    7.876
21218 COC1=CC(=CC=C1)C=CC2=CC=CC(=C2)OC~    6.364
21219 CC(=O)OCC(C1=CC=CC=C1)C2=CC=CC=C2~    5.818
21220 O[C]12CCCC[CH]1C3=C4C=CC=CC4=CC=C3O2~    9.120
21221 OC(=O)C1=CC=C(CCCC2=CC=CC=C2)C=C1~    7.770
21222 CCC(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1~    7.206
21223 COC1=CC2=C(C=C1)C3=C(C=C2)C(=O)[CH](C)CC3~    7.313
21224 COC1=CC(=CC(=C1)OC)C=CC2=CC=CC=C2~    6.364
21225 C[C]1(O)C2=C(C=CC=C2)C3=CC=CC=C3[C]1(C)O~    9.281
21226 C1O[CH](CC2=CC=CC=C2)O[CH]1C3=CC=CC=C3~    6.714
21227 CC(=C(C)C1=CC=C(O)C=C1)C2=CC=C(O)C=C2~   11.483
21228 C[C](O)([CH](C(O)=O)C1=CC=CC=C1)C2=CC=CC=C2~   12.638
21229 OC1=C(C2CCCCC2)C(=O)C3=C(C=CC=C3)C1=O~    8.159
21230 O=C(CC1=CC=CC=C1)OCCOC2=CC=CC=C2~    7.090
21231 O=C(COC1=CC=CC=C1)OCCC2=CC=CC=C2~    6.240
21234 C[C](O)(C(C1=CC=CC=C1)C2=CC=CC=C2)C(O)=O~    9.008
21235 C[CH](COC1=CC=C(C=C1)C2=CC=CC=C2)OC=O~    6.851
21240 CCOC(=O)CCC(=O)C1=C2C=CC=CC2=CC=C1~    8.396
21241 COC1=CC=C(C[CH](C(O)=O)C2=CC=CC=C2)C=C1~    9.553
21242 COC1=CC=CC(=C1)CC(=O)C2=CC=CC(=C2)OC~    8.558
21244 C[C]([CH](O)C1=CC=CC=C1)(C(O)=O)C2=CC=CC=C2~   12.638
21245 COC(=O)[CH]([CH](O)C1=CC=CC=C1)C2=CC=CC=C2~   10.256
21246 CCCCC(=O)C1=CC2=C(C=C1)C(=O)C(=CC2=O)C~   10.883
21247 COC1=CC=C(C=C1)[CH]2OC[CH](O2)C3=CC=CC=C3~    8.066
21248 CC(=O)C1C(=O)CC(CC1=O)C=CC2=CC=CC=C2~   12.112
21249 CCC(=O)OC1=CC=C(OCC2=CC=CC=C2)C=C1~    6.386
21250 O=C(COC1=CC=CC=C1)OCCOC2=CC=CC=C2~    7.510
21252 COC1=CC=C(C=C1)[CH](O)C(=O)C2=CC=C(OC)C=C2~    9.365
21253 COC1=CC=C(C=C1)C(C(O)=O)C2=CC=C(OC)C=C2~   10.903
21254 OC[CH]([CH](O)C1=CC2=C(OCO2)C=C1)C3=CC=CC=C3~   11.883
21255 COC1=C(C=CC=C1)C(C(O)=O)C2=C(OC)C=CC=C2~   10.903
21256 COC1=CC2=C(C=C1)C3=CC(=O)CC[CH]3C[CH]2C(O)=O~   12.516
21257 CO[CH](C1=C(OC)C=CC=C1)C2=C(C=CC=C2)C(O)=O~   11.175
21261 COC(=O)CCC(=O)C1=CC=C2C=C(OC)C=CC2=C1~    9.747
21262 CC(CCC1=C2C=CC=CC2=CC=C1)(C(O)=O)C(O)=O~   13.124
21263 COC1=CC=C(OCC(=O)OCC2=CC=CC=C2)C=C1~    7.590
21265 O=S(=O)(CC=CCS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2~   10.362
21267 COC1=CC(=CC(=C1OC)OCC2=CC=CC=C2)C(O)=O~   11.742
21268 COC1=C2C=CC=C(OC)C2=C(C=C1)C(=O)CCC(O)=O~   13.480
21271 COC1=CC(=CC=C1O)[CH](O)C(=O)C2=CC=C(O)C(=C2)OC~   17.330
21274 CN(C)C1=CC=C(C=CC2=CC=CC=C2)C=C1~    5.706
21275 O[CH]1CC2=C(C=CC=C2)[CH]1NCC3=CC=CC=C3~   11.592
21277 O=C(CCNCC1=CC=CC=C1)C2=CC=CC=C2~    9.625
21280 CC1=CC[CH]2N=C(C[C]2(C)C1=O)C3=CC=CC=C3~    6.810
21281 CCC(=CC1=C(OC)C=CC=C1)C2=CC=NC=C2~    7.701
21282 CCC(=CC1=CC(=CC=C1)OC)C2=CC=NC=C2~    7.701
21283 C[CH](CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2~    9.160
21285 O=C(N1CCCCC1)C2=C3C=CC=CC3=CC=C2~    8.971
21286 CN(C)C1=CC=C(C=C1)C(=O)CC2=CC=CC=C2~    7.900
21287 CCC(C(N)=O)(C1=CC=CC=C1)C2=CC=CC=C2~    9.893
21288 CC(CC(C1=CC=CC=C1)C2=CC=CC=C2)=NO~    7.171
21290 C1CO[CH]([CH](N1)C2=CC=CC=C2)C3=CC=CC=C3~    9.129
21292 CC1=CC=C(C=C1)C(=O)CCCC2=CC=CC=N2~    8.695
21293 C[CH](CCC1=CC=CC=N1)C(=O)C2=CC=CC=C2~    8.614
21294 O=C(CC1=CC=CC=C1)NCCC2=CC=CC=C2~    9.674
21295 S=C(CC1=CC2=C(C=CC=C2)C=C1)N3CCOCC3~    8.775
21296 COC1=CC=C(CCC(=NO)C2=CC=CC=C2)C=C1~    8.521
21298 CC(C)C1=C(C=C(C)C(=C1)O)N=C2C=CC(=O)C=C2~   10.381
21299 CC(C)C1=CC(=C(C)C=C1O)N=C2C=CC(=O)C=C2~   10.381
21301 OC(=O)CN(CC1=CC=CC=C1)CC2=CC=CC=C2~   10.452
21305 CCOC(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2~    7.320
21308 CCOC(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2~    9.124
21309 COC1=CC=C(C=C1)N=C(C)C2=CC=C(OC)C=C2~    6.340
21310 CNC(=O)OCCC1=C2C=CC=C3CCC(=C23)C=C1~    6.983
21311 N[C](CCC1=CC=CC=C1)(C(O)=O)C2=CC=CC=C2~   10.889
21312 OCCN[CH](C(=O)C1=CC=CC=C1)C2=CC=CC=C2~   12.762
21313 NC(CC1=CC=CC=C1)(CC2=CC=CC=C2)C(O)=O~   10.889
21314 CN[CH](CC1=CC=CC=C1)C2=CC3=C(OCO3)C=C2~    9.777
21315 O=C(CN1CCOCC1)C2=CC3=C(C=CC=C3)C=C2~   10.188
21316 N[CH](CCC1=CC2=C(OCO2)C=C1)C3=CC=CC=C3~    9.996
21317 OC1=CC2=C(C=CC=C2)C=C1C(=O)N3CCCCC3~    9.851
21318 C[CH](CC1=CC2=C(OCO2)C=C1)NC3=CC=CC=C3~    9.161
21320 CN1C(=O)C=CC=C1[CH]2CCC3=C(C2)C=CC(=C3)O~   12.551
21321 COC1=CC2=C(C[CH](CC2)C3=CC=CC(=N3)O)C=C1~   11.479
21322 COC1=CC=C(C=C1)C(=O)NCCC2=CC=CC=C2~   10.511
21323 OCCN(C(=O)CC1=CC=CC=C1)C2=CC=CC=C2~   12.305
21324 COC1=CC(=CC=C1)CC(=NO)C2=CC(=CC=C2)OC~    9.873
21325 COC1=CC=C(CC(=NO)C2=CC=C(OC)C=C2)C=C1~    9.873
21326 C[CH](NC(C)=O)C1=C2C=CC=CC2=CC=C1OC(C)=O~   11.510
21327 CN(C1=CC=CC(=C1)C(C)=O)S(=O)(=O)C2=CC=C(C)C=C2~    8.018
21328 CCOC(=O)C(C#N)=C1CCC2=C(OC)C(=CC=C12)OC~   10.485
21330 CCOC(=O)CC(=O)C1=C2C=CC=CC2=NC(=C1)OCC~   11.547
21331 COC1=C(OC(C)=O)C=CC(=C1)C(=O)C[N+]2=CC=CC=C2~   16.845
21333 CCCC1=C(C=C2OCOC2=C1)S(=O)(=O)NC3=CC=CC=C3~    9.278
21335 COC1=C(OC)C(=C(C2=CC=C(N)C=C2)C(=C1)C(O)=O)OC~   15.215
21336 CC1=CC=C(C=C1)S(=O)(=O)N[CH](CC2=CC=C(O)C=C2)C(O)=O~   14.772
21337 CCOC(=O)CN(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2~    8.146
21340 COC1=CC=C(C=C1OC)C(CCC#N)(CCC#N)C#N~   14.336
21341 O=C(CNCC(=O)NC1=CC=CC=C1)NC2=CC=CC=C2~   13.133
21343 CN(C)C1=CC=C(C=C1)N=C2C=CC(=O)C(=C2)NC(C)=O~   13.386
21344 COC1=CC2=C(C=C1)C=CC3=C2CCCC3=NNC(N)=O~   12.409
21345 CCOC1=CC=C(C=C1)C(C)=NNC(=O)C2=CC=NC=C2~   13.186
21346 CC(C=CC1=CC=CC=C1)=NNS(=O)(=O)C2=CC=C(N)C=C2~   10.506
21347 C[CH]1N=C(NS(=O)(=O)C2=CC=C(N)C=C2)S[CH]1C3=CC=CC=C3~   13.963
21348 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC=CC=C2~   12.857
21349 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C)C=C2~   12.939
21350 ON[CH]([CH](NC(=O)C1=CC=CC=C1)C(=O)NO)C2=CC=CC=C2~   20.987
21351 COC1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=C(NC(C)=O)C=C2~   14.209
21353 CC1=CC(=C(C=C1)C(C)=NNS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O)C~    9.235
21354 CC(C)C1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O~    9.155
21356 COC1=C(O)C=CC(=C1)C=NNS(=O)(=O)C2=CC=C(NC(C)=O)C=C2~   18.192
21357 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=C(O)C=C(O)C=C2~   20.824
21360 CN1C(=O)N(C)C2=C(N(C)C(=N2)CNC(=O)C3=CC=CC=C3)C1=O~   17.583
21361 CN1C(=O)N(C)C2=C(N=C(CC3=CC=C(NC(C)=O)C=C3)N2)C1=O~   18.767
21363 NC1=NC(=C(N=NC2=CC=C(C=C2)C(=O)N[CH](CCC(O)=O)C(O)=O)C(=N1)O)N~   30.190
21364 CCC(C)(C1=CC=CC=C1)C2=CC=CC=C2~    2.951
21365 C1CN(CCN1C2=CC=CC=C2)C3=CC=CC=C3~    7.234
21367 C[N+]1=CC=C(CCC2=CNC3=C2C=CC=C3)C=C1~   14.535
21368 CN(C)C1=CC=C(C=C1)C=C(C)C2=CC=NC=C2~    8.395
21369 CNC(=NC)C(C1=CC=CC=C1)C2=CC=CC=C2~    8.023
21373 CC1=CC(=C(C)C=C1)N=NC2=C(C)C=CC(=C2)C~    4.662
21374 C[CH]1CN(CN1C2=CC=CC=C2)C3=CC=CC=C3~    4.735
21375 COC1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C~    7.870
21376 O=C(CNCC1=CC=CC=C1)NCC2=CC=CC=C2~   12.142
21378 CN(C)C1=CC=C(C=C1)N=C2C(=CC(=O)C=C2C)C~    8.139
21380 CN(C)NC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~   11.833
21383 O=C(C[N+]1=CC=NC=C1)C2=CC3=C(CCCC3)C=C2~   14.105
21384 COC(=N)N(CC1=CC=CC=C1)CC2=CC=CC=C2~   10.078
21385 CN(C(=O)NC1=CC=CC=C1)C2=C(C)C=C(C)C=C2~    8.558
21387 COC1=CC=C(C=C1)C(=O)C(C)(CCC#N)CCC#N~   12.385
21389 O=C(CN1C(=O)C2=C(C=CC=C2)C1=O)NC3CCCCC3~   12.565
21390 CCOC(=O)C1=C2C=CC=CC2=NC(=C1)N3CCOCC3~   12.193
21392 CCCC1=CC(=C2C=CC=CC2=N1)C(=O)OCC(C)=NO~   12.039
21393 O=C1NOC(=C1C2CCCCC2)NC(=O)C3=CC=CC=C3~    9.907
21394 COC1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C3=CC=C(N)C=C3~   10.190
21396 COC1=CC(=C(OC)C=C1)N=NC2=C(OC)C=CC(=C2)OC~    9.745
21397 CCOC(=O)C1=C(N(CC2=CC=CC=C2)C(=S)N1)C(=O)OCC~    9.588
21398 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC=C2)[N+]([O-])=O~    7.285
21400 O=S(=O)(N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3~   10.483
21401 CCN(C(=S)NC1=CC=CC=C1)C2=C(C)C=CC=C2~    5.842
21402 CC(=NNC1=CC=CC=C1)C(C)=NNC2=CC=CC=C2~    9.084
21404 N=C(NCC1=CC=CC=C1)C(=N)NCC2=CC=CC=C2~   13.533
21405 CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(C)=NO~   10.686
21406 CCCCSC1=NC(=NC2=C1N=C(SC)N2C3=CC=CC=C3)O~   17.236
21407 CCC1=C(C=CC(=C1)N(C)C)N=NC2=CC=C(C=C2)[N+]([O-])=O~    8.870
21410 O=C(CSCC(=O)NNC1=CC=CC=C1)NNC2=CC=CC=C2~   18.815
21411 CN1C(=O)N(C)C2=C(N(C)C(=N2)OCCC3=CC=CC=C3)C1=O~   12.644
21413 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC=C(N)C=C2~   16.310
21416 N=C(NC1=CC=CC=C1)SCCSC(=N)NC2=CC=CC=C2~   16.491
21417 CC1=CC=C(NC(=S)NNC(=S)NC2=CC=C(C)C=C2)C=C1~   10.951
21418 C(CN=CC1=CC=CN=C1)SSCCN=CC2=CN=CC=C2~   12.983
21419 CCCCNC1=C2C=NN(C3=CC=C(C=C3)[N+]([O-])=O)C2=NC(=N1)C~   17.251
21420 CCCCN1C=NC2=C1N=C(N)N=C2SCC3=CC=C(C=C3)[N+]([O-])=O~   11.348
21421 CCCCN1C=NC2=C1N=C(N)N=C2SCC3=C(C=CC=C3)[N+]([O-])=O~   11.348
21423 O=NN(CC(=O)NNC1=CC=CC=C1)CC(=O)NNC2=CC=CC=C2~   18.799
21424 COC1=C(O)C=CC(=C1)C=NNC2=NC3=C(N2C)C(=O)N(C)C(=O)N3C~   19.775
21425 NC1=NC(=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=N1)SCC4=CC=CC=N4~   22.325
21426 NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NCNC3=NC(=NC(=N3)N)N)C=C2~   21.914
21427 CC(C1=NC2=C(N1)N(C)C(=O)N(C)C2=O)C3=NC4=C(N3)N(C)C(=O)N(C)C4=O~   25.409
21428 CN1C(=O)N(C)C2=C(N=C(CCC3=NC4=C(N3)N(C)C(=O)N(C)C4=O)N2)C1=O~   25.409
21431 CCCC(O)(C1=CC=CC=C1)C2=CC=CC=C2~    7.386
21434 CC(C)(C)C1=CC(=C(O)C=C1)C2=CC=CC=C2~    6.955
21436 CC1=CC(=C(O)C=C1)C(C)(C)C2=CC=CC=C2~    7.013
21438 CC(C)C1=CC=C(CC2=CC=C(O)C=C2)C=C1~    7.013
21439 OS(=O)(=O)OCCOC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(OCCOS(O)(=O)=O)C=C2~   22.728
21440 CC(C)(O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2~    8.824
21441 CCC(C)(C1=CC=C(O)C=C1)C2=CC=C(O)C=C2~   10.914
21442 C(COCC1=CC=CC=C1)OCC2=CC=CC=C2~    7.059
21444 CC(C)C(C1=CC=C(O)C=C1)C2=CC=C(O)C=C2~   10.914
21445 CCOC(=O)CCCC1=C2C=CC=CC2=CC=C1~    5.491
21446 CCOC(=O)CCCC1=CC2=C(C=CC=C2)C=C1~    5.491
21447 CC[CH](O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2~    8.824
21448 COC1=CC=C(C=C1)C(C)C2=CC=C(OC)C=C2~    5.652
21450 CCCCOC(=O)CC1=C2C=CC=CC2=CC=C1~    5.491
21451 CC(C)COC(=O)CC1=C2C=CC=CC2=CC=C1~    5.491
21452 CC(C)S(=O)(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~    7.144
21453 C(CSCCOC1=CC=CC=C1)OC2=CC=CC=C2~    7.587
21454 C[CH](O)C1=CC=C(OC2=CC=C(C=C2)[CH](C)O)C=C1~    9.471
21455 COC1=CC=C(COCC2=CC=C(OC)C=C2)C=C1~    7.706
21457 CCCCCCC(=O)C1C(=O)C2=CC=CC=C2C1=O~   10.783
21458 CC(C)(C)C1=CC=C(OS(=O)(=O)C2=CC=CC=C2)C=C1~    6.114
21459 COC1=C(OCCOC2=C(OC)C=CC=C2)C=CC=C1~    8.193
21460 OC[CH](O)COC1=CC=C(OCC2=CC=CC=C2)C=C1~   11.445
21461 COC1=C2C=CC=C(OC)C2=C(CCCC(O)=O)C=C1~   10.575
21462 CCCCCCOC(=O)C=C1OC(=O)C2=C1C=CC=C2~    6.538
21463 O=C(CCCCCCC(=O)C1=CC=CO1)C2=CC=CO2~    8.271
21464 COC1=CC=C(C=C1)C2=C(OC)C(=C(OC)C=C2)OC~    8.295
21465 OC1CCC(CC1)C(=O)C=CC(=O)C2=CC=C(O)C=C2~   16.818
21467 CCCC(C1=C(O)C=C(O)C=C1)C2=C(O)C=C(O)C=C2~   18.879
21468 CC1=C[CH]2C(=O)[C](C)(O)[CH]1[CH]3C(=O)C(=O)C(=C[C]23C)C~   10.762
21469 CC(=C)COC(=O)C1=C(C=CC=C1)C(=O)OC[C]2(C)CO2~    8.879
21470 CC(=C)COC(=O)C1=CC=CC(=C1)C(=O)OC[C]2(C)CO2~    8.879
21471 CCOC(=O)CC(=O)C1=CC=C(C=C1)C(=O)CC(=O)OCC~   12.750
21472 OCCOC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(OCCO)C=C2~   14.686
21473 CC1=CC=C(C=C1)S(=O)(=O)OCCOS(=O)(=O)C2=CC=C(C)C=C2~   10.848
21474 O=S(=O)(OCCOCCOS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2~   12.740
21477 CN(C)[CH](C1=CC=CC=C1)C2=C(C)C=CC=C2~    6.580
21478 CCN(CC)C1=CC=C(C=C1)C2=CC=CC=C2~    4.936
21479 CCN(CC)C1=C(C=CC=C1)C2=CC=CC=C2~    4.936
21480 CCN(CC1=CC=CC=C1)C2=CC=CC(=C2)C~    4.996
21481 CCN(CC1=CC=CC=C1)C2=C(C)C=CC=C2~    4.996
21482 C[CH](N[CH](C)C1=CC=CC=C1)C2=CC=CC=C2~    6.719
21483 C[CH](N)[CH](CC1=CC=CC=C1)C2=CC=CC=C2~    6.936
21485 CN(C)[CH](CC1=CC=CC=C1)C2=CC=CC=C2~    6.500
21486 CCN[CH](CC1=CC=CC=C1)C2=CC=CC=C2~    6.719
21487 CN[CH](CC1=CC=CC=C1)C2=CC=C(C)C=C2~    6.799
21488 CN[CH](CC1=CC=C(C)C=C1)C2=CC=CC=C2~    6.799
21489 CC1=CC=C(C=C1)C(C)(C)C2=CC=C(N)C=C2~    6.481
21490 C(CC1=CC=CC=C1)NCCC2=CC=CC=C2~    6.719
21491 CN(CCC1=CC=CC=C1)CC2=CC=CC=C2~    6.500
21492 CCCC[CH](C1=CC=CC=C1)C2=CC=CC=N2~    5.710
21493 COC(N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2~    7.255
21494 OC1=C(CN2CCCCC2)C3=CC=CC=C3C=C1~   10.510
21495 CN(C)C[CH](OC1=CC=CC=C1)C2=CC=CC=C2~    7.772
21496 COC1=CC2=C(C=C1)C(=C(C=N2)C3CCCC3)C~    7.168
21498 CN(C)CCO[CH]1CC2=CC=CC3=CC=CC1=C23~    8.662
21499 CN(CCO)C(C1=CC=CC=C1)C2=CC=CC=C2~   10.936
21500 C[CH](CC1=CC=C(O)C=C1)NCC2=CC=CC=C2~   10.701
21502 CN[CH](CC1=CC=CC=C1)C2=CC=CC(=C2)OC~    8.070
21503 CN[CH](CC1=CC=C(OC)C=C1)C2=CC=CC=C2~    8.070
21504 CN[CH](CC1=CC=CC=C1)C2=C(OC)C=CC=C2~    8.070
21505 CN[CH](CC1=CC=CC=C1)C2=CC=C(OC)C=C2~    8.070
21508 CC1=CC(=C(C(=C1)C)C(=O)C[N+]2=CC=CC=C2)C~   13.570
21509 OCCN(CC1=CC=CC=C1)CC2=CC=CC=C2~   10.936
21510 NOCCCC(C1=CC=CC=C1)C2=CC=CC=C2~    7.472
21511 CC1=CC(=C(O)C(=C1)C)CNCC2=CC=CC=C2~   10.863
21512 CCCCN1COC2=CC=C3C=CC=CC3=C2C1~    6.578
21513 OC1=C2C=CC=CC2=CC=C1CN3CCCCC3~   10.510
21515 COC1=C(C=CC=C1)[C]2(CCCCC2=O)CCC#N~    9.750
21518 COC1=CC=CC(=C1)C[CH](N)C2=CC=CC(=C2)OC~    9.640
21519 COC1=CC=C(C[CH](N)C2=CC=C(OC)C=C2)C=C1~    9.640
21520 COC1=C(C[CH](N)C2=C(OC)C=CC=C2)C=CC=C1~    9.640
21521 CC[N+]1=CC=C(C=CC2=CC=C(O)C(=C2)OC)C=C1~   16.550
21522 CC[N+]1=C(C=CC=C1)C=CC2=CC=C(O)C(=C2)OC~   16.550
21525 OCCN[CH]([CH](O)C1=CC=CC=C1)C2=CC=CC=C2~   12.593
21526 OCCN[CH](CC1=CC=CC=C1)C2=C(O)C=CC=C2~   15.138
21527 CN[CH](CC1=CC=CC=C1)C2=C(O)C(=CC=C2)OC~   12.053
21528 CN[CH](CC1=CC=CC=C1)C2=CC=C(O)C(=C2)OC~   12.053
21532 CC1=CC=C(C=C1)S(=O)(=O)NCCCC2=CC=CC=C2~    6.836
21534 CCCCNC1=C(OCC)C(=O)C2=C(C=CC=C2)C1=O~   10.421
21535 COC1=CC(=C(OC)C=C1)NC[CH](O)C2=CC=CC=C2~   13.242
21536 OCCN(CCO)C1=C(OC2=CC=CC=C2)C=CC=C1~   11.356
21537 CO[CH]1C[C]23N(CCC4=C2CC(=O)OC4)CC=C3C=C1~    9.225
21538 COC1=CC=C(C=C1)[CH](N)[CH](O)C2=CC=C(OC)C=C2~   14.076
21541 CC1=C(O)C(=C(CO)C=[N+]1CC(=O)C2=CC=CC=C2)CO~   23.426
21542 O[CH]1C[CH]2CCN3CC4=C(C=C5OCOC5=C4)[CH]([CH]1O)[CH]23~   14.747
21543 COC1=C(OC)C(=C(C=C1)C2=C(N)C(=CC(=C2)O)C)OC~   14.458
21544 CCOC(=O)C(=CC1=CC(=CC=C1)NC(C)=O)C(=O)OCC~   13.903
21546 CN1CCN(CC1)C(=O)NC2=C3C=CC=CC3=CC=C2~   13.561
21547 CC(=O)N(CCC1=CC=NC=C1)CCC2=CC=NC=C2~   14.975
21548 CN(N(C)C1=C(C)C=CC=C1)C(=O)NC2=CC=CC=C2~   10.638
21549 C[CH](C1=CC=C(C=C1)N(C)C)C2=C(C=C(N)C=C2)[N+]([O-])=O~   10.851
21551 CC(C)C1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=C(N)C=C2~   10.203
21553 CC1(C)S[CH]2[CH](NC(=O)CC3=CC=CC=C3)C(=O)N2[CH]1C(N)=O~   15.623
21555 COC1=C(N)C=C(C)C(=C1)N=NC2=C(C=C(C)C=C2C)S(O)(=O)=O~   15.714
21557 C[CH]1CCCCN1CCOC(=O)C2=NOC3=C2C=CC(=C3)[N+]([O-])=O~   12.896
21558 COC1=C(OC)C(=CC(=C1)C=NNS(=O)(=O)C2=CC=C(N)C=C2)OC~   14.176
21559 CN(C)CCCN1C=CC2=NC3=CC=CC=C3SC2=C1~   10.369
21560 CCC1=C(NC2=C3C=NN(C)C3=NC=N2)C(=CC=C1)CC~   11.759
21561 CC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)NC(C)(C)C~   14.848
21562 CCCCN(C1=CC=CC=C1)C2=C3C=NN(C)C3=NC=N2~   10.410
21563 CCCCN(C1=CC=CC=C1)C2=C3N=CN(C)C3=NC=N2~   10.402
21565 CCN(CC)C1=CC=C(C=C1)C=NNC2=CC=C(C=N2)[N+]([O-])=O~   13.225
21567 CC(C)CN1C=NC2=C1N=C(N)N=C2SCC3=CC=CC=C3~    8.943
21570 NC(=N)NC(=N)NC1=CC=C(C=C1)C2=CC=C(NC(=N)NC(N)=N)C=C2~   30.963
21571 NC(=N)NC(=N)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NC(=N)NC(N)=N)C=C2~   34.183
21572 NC(=N)NC(=N)NC1=CC=CC(=C1)S(=O)(=O)C2=CC(=CC=C2)NC(=N)NC(N)=N~   34.183
21574 CN(C)C1=CC=C(C=C1)C2=CC=C(C=C2)N(C)C~    6.979
21575 CCNC1=CC=C(C=C1)C2=CC=C(NCC)C=C2~    9.358
21576 C(CNCC1=CC=CC=C1)NCC2=CC=CC=C2~   10.488
21578 CN(C)C1=CC=C(C=CC2=CC=[N+](C)C=C2)C=C1~   13.260
21579 CCCCNC1=CC=C(NC2=CC=CC=C2)C=C1~    8.719
21581 C1CC[CH](CCC2=NC3=CC=CC=C3C=C2)NC1~    9.506
21582 CC1=CC(=C(C)C=C1N)C2=C(C)C=C(N)C(=C2)C~   10.116
21583 CC1=CC(=C(C)C(=C1N)C)C2=C(C)C=C(N)C=C2~   10.116
21584 CN(C)CC[CH](C1=CC=CC=C1)C2=CC=CC=N2~    9.260
21586 C[CH](C1=CC=CC=N1)[C](C)(O)[CH](C)C2=CC=CC=N2~   12.907
21587 CCN(CCC(=O)OC)CC1=C2C=CC=CC2=NC=C1~   11.801
21588 OC1=C(CNCCNCC2=C(O)C=CC=C2)C=CC=C1~   18.453
21590 CCN(CC)CCOC(=O)C1=CC2=C(C=CC=C2)N=C1~   11.288
21591 COC(=O)[CH]1CCCN(C1)CC2=CNC3=C2C=CC=C3~   11.924
21592 COC(=O)C1CCN(CC1)CC2=CNC3=C2C=CC=C3~   11.924
21593 C[CH]1CN1C(=O)CC2=CC=C(CC(=O)N3C[CH]3C)C=C2~   11.719
21594 CCOC(=O)C(=CC1=CC=C(C=C1)N(CC)CC)C#N~    9.465
21595 C=CCN1COC2=C(C1)C=C3OCN(CC=C)CC3=C2~    9.369
21596 CC(C)(C)C1=CC=C(NS(=O)(=O)C2=CC=C(N)C=C2)C=C1~    9.672
21599 CC(C)CC1(CCC2=CC=CC=C2)C(=O)NC(=O)NC1=O~   13.290
21601 NC1=CC=C(OCCOCCOC2=CC=C(N)C=C2)C=C1~   14.450
21602 NC1=C(OCCOCCOC2=C(N)C=CC=C2)C=CC=C1~   14.450
21603 CCN(CC)C(=O)CCCN1C(=O)C2=C(C=CC=C2)C1=O~   13.292
21605 CC1=CC=C(C=C1)S(=O)(=O)NCCNS(=O)(=O)C2=CC=C(C)C=C2~   10.724
21606 CNS(=O)(=O)C1=CC=C(OCCOC2=CC=C(C=C2)S(=O)(=O)NC)C=C1~   13.266
21607 CCOC(=O)CC[CH](NC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(=O)OCC~   14.171
21608 CCOC(=O)C(CC1=CC(=CC=C1)[N+]([O-])=O)(NC(C)=O)C(=O)OCC~   14.684
21609 CCOC(=O)C(CC1=CC=C(C=C1)[N+]([O-])=O)(NC(C)=O)C(=O)OCC~   14.684
21610 COC(=O)CCC1=C(N=C(CCC(=O)OC)C(=N1)C(=O)OC)C(=O)OC~   14.833
21611 CN(C)C1=CC=C(SSC2=CC=C(C=C2)N(C)C)C=C1~    7.914
21612 CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(C)C~    8.429
21614 C1CCCN(CC1)C2=C(N=C3C=CC=CC3=N2)N4CC4~   10.362
21615 C1CCN(C1)C2=C(N=C3C=CC=CC3=N2)N4CCOCC4~   12.417
21616 C1CN(CCO1)C2=C(N=C3C=CC=CC3=N2)N4CCOCC4~   14.471
21618 C[CH]1CN1C2=C(NC(C)=O)C(=O)C(=C(NC(C)=O)C2=O)N3C[CH]3C~   19.261
21619 O[CH]1[CH](CNC2=CC=CC=N2)O[CH](NC3=CC=CC=N3)[CH](O)[CH]1O~   24.097
21620 CC1=CCCC[C]1(C)C(C)=NNC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O~    7.991
21621 C[CH]1CC=CC[C]1(C)C(C)=NNC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O~    8.065
21624 CC(C)(CCC#N)C1=NC2=C(S1)N=C(S2)C(C)(C)CCC#N~   15.269
21625 CN(C)N=NC1=CC=C(C=C1)C2=CC=C(C=C2)N=NN(C)C~   11.386
21627 CC(=O)C1=CC2=C(C=C1C)C(=C(C)C2(C)C)C~    4.860
21628 CC1(C)CC(C)(C)C2=C1C=C3CCC(=O)C3=C2~    4.975
21630 CC(=C)CC1=C(OCC=C)C(=CC=C1)CC=C~    2.860
21631 CC1=CC=C(SC2CC3CC2C4COCC34)C=C1~    6.799
21632 CC(C)=C[CH]1[CH](C(=O)SC2=CC=CC=C2)C1(C)C~    4.259
21633 CC(C)(O)C1=CC=CC2=C(C=CC=C12)C(C)(C)O~    8.575
21634 CCOC(=O)CCC(=O)C1=CC2=C(CCCC2)C=C1~    7.409
21635 C[C](O)([CH](C(O)=O)C1=CC=CC=C1)C2=CCCCC2~   11.146
21636 CCOC(=O)[C]1(CCCC(=O)C1)CC2=CC=CC=C2~    7.762
21637 CC=CC1(C=CC)C(=O)OC(=O)C1(C=CC)C=CC~    3.550
21638 OC1(CCCCC1)CC(=O)CC(=O)C2=CC=CC=C2~   12.234
21639 CCOC(=O)C1=C(C=CC=C1)C(=O)OC2CCCCC2~    6.268
21640 CCOC(=O)[CH]1CCC2=C(C(=CC(=C2OC)C)C)C1=O~    8.842
21641 CC1=C[CH]2C(=O)[C](C)(O)[CH]1[CH]3[C](C)(O)C(=O)C=C[C]23C~    6.117
21642 CC1=C[CH]2[CH]([CH]3C=C[C]2(C)C(=O)[C]3(C)O)[C](C)(O)C1=O~    6.117
21643 CC(=O)[CH]1C=C[C](C)([CH]2C=C(C)C(=O)[C](C)(O)[CH]12)C(O)=O~   13.206
21644 COC1=CC=C(C=C1)C(=O)C(C)(CCC(O)=O)CCC(O)=O~   15.879
21647 CCC(=O)OC(OC(=O)CC)C1=CC(=CC=C1)OC(=O)CC~    9.023
21648 CCOC(=O)C(CC)(OC(=O)C1=CC=CC=C1)C(=O)OCC~    8.364
21649 CC1(C)O[CH]2O[CH]([CH](O)COC(=O)C3=CC=CC=C3)[CH](O)[CH]2O1~   16.424
21650 CC1=CC=C(C=C1)S(=O)(=O)O[CH]2[CH]3CO[CH](O3)[CH]4OC(C)(C)O[CH]24~   14.553
21651 COC(=O)[CH](OC(C)=O)[CH](OC(C)=O)C1=CC=C(OC)C(=C1)OC~   11.578
21653 C[N+](C)(C)C(C1=CC=CC=C1)C2=CC=CC=C2~   14.764
21655 CC(C)[CH]1CCC(=CC1)C(=O)NC2=CC=CC=C2~    7.839
21656 CN(C)CCC[CH](O)C1=C2C=CC=CC2=CC=C1~   10.609
21657 CCCC1=C(OCC=C)C(=CC(=C1)C#N)CCC~    4.815
21658 CC(C)C1=C(OCC=C)C(=CC(=C1)C#N)C(C)C~    4.815
21659 O=C1[CH](CN1CC2CCCCC2)C3=CC=CC=C3~    8.334
21662 S=C(CC1=CC2=C(CCCC2)C=C1)N3CCOCC3~    7.788
21663 CCCCCC1=CC=[N+](CC(=O)C2=CC=CS2)C=C1~   13.428
21669 CCCCCC[CH](C)N1C(=O)C2=CC=CC=C2C1=O~    6.788
21672 CN1[CH]2CC[CH]1[CH](COC(=O)C3=CC=CC=C3)[CH](O)C2~   12.174
21673 CO[CH]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C]23C1~    9.080
21674 CCCCC[CH]1[CH](NC(=O)[CH]1C2=CC=CC=C2)C(O)=O~   12.149
21675 CC(C)[CH](CCC1=CC=CC=C1)NC(=O)C=CC(O)=O~   13.695
21676 COC(=O)[CH]1C(=O)N(C)C2=C(C=C(C)C(=C2)C)C1(C)C~    9.503
21677 CCOC(=O)[CH]1CN(CCC1=O)CCC2=CC=CC=C2~   11.312
21679 COC1=CC=C(C=CC(=O)OCCN2CCOCC2)C=C1~   11.959
21680 CCCCCCCCS(=O)(=O)N1C(=O)C2=CC=CC=C2C1=O~    7.342
21681 CCOC(=O)C(CC1=CC=C(C)C=C1)(NC=O)C(=O)OCC~   12.101
21682 CC1(C)O[CH]2O[CH]3[CH](CN)O[CH](O[CH]3[CH]2O1)C4=CC=CC=C4~   16.646
21684 CN(C)C1=CC=C(C=C1)N=C2C=CC(C=C2)=[N+](C)C~   13.889
21685 CCN(CC)CCN=CC1=C2C=CC=CC2=NC=C1~   10.236
21687 CC(C)CCC(=O)NC1=CC2=C(N)C=C(C)N=C2C=C1~   15.020
21689 CCCCCCC1=CC(=C2C=CC=CC2=N1)C(=O)NN~   14.269
21691 CCN(CC)C1=NC(=O)[C](CC)(C(=O)N1)C2=CC=CC=C2~   12.807
21692 CCOC(=O)N1CCN(CC1)CC2=CNC3=C2C=CC=C3~   15.011
21694 C[CH]1CCC[CH](C)N1CCOC2=C(C=CC(=C2)[N+]([O-])=O)C#N~   10.839
21695 CC(C)=CCCC(C)=CC=NNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O~    7.211
21696 CCCCCC(C[CH]1NC(=S)NC1=O)=NNC(=O)C2=CC=NC=C2~   14.044
21697 C[CH]1CC[C]2(CCC3=C(C2)C=C(C)C=C3)C1~    1.991
21698 CCN(CC)C(=O)C1=C[N+](=C2C=CC=CC2=C1)CC~   16.167
21699 CCC[CH](O)CNCC1=C2C=C(OC)C=CC2=NC=C1~   14.939
21700 CC(=O)NC1=CC=C(C=C1)C(=O)CCN2CCCCC2~   14.117
21701 CC(C)N(CCN1C(=O)C2=C(C=CC=C2)C1=O)C(C)C~   10.338
21702 O=C1C=C(N2CCCCC2)C(=O)C=C1N3CCCCC3~   12.256
21705 CC(=O)NC1=C(C)C(=C2C(=C1)C(C)(C)CC2(C)C)[N+]([O-])=O~   10.225
21706 COC1=CC(=CC(=C1OC)OC)C2(CCN(C)CC2)C#N~   12.583
21707 CC[C]1(C)[CH](C)C(C)(C)C2=C1C(=C(C)C(=C2)[N+]([O-])=O)[N+]([O-])=O~    6.442
21708 CCCOC1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)OCCC~   12.866
21709 CC(C)[CH]1CCC(C)(C)C2=CC(=C(C)C(=C12)[N+]([O-])=O)[N+]([O-])=O~    6.442
21710 CCC1=C(C=C2C(=C1[N+]([O-])=O)C(C)(C)CCC2(C)C)[N+]([O-])=O~    6.442
21711 C[CH]1CC(C)(C)C2=CC(=C(C)C(=C2C1(C)C)[N+]([O-])=O)[N+]([O-])=O~    6.442
21712 CCOC(=O)N1CCN(CC1)C[CH]2COC3=C(O2)C=CC=C3~   13.959
21713 CC(C)OC(=O)C1=CC=C(NC(=O)CN2CCOCC2)C=C1~   14.323
21714 C[CH]1CCCCCN1CCOC(=O)C2=CC=C(C=C2)[N+]([O-])=O~    9.785
21715 CCOC(=O)C1=C(NC(=O)CCN2CCOCC2)C=CC=C1~   15.623
21716 CCOC(=O)C1=C(NC(=O)[CH](C)N2CCOCC2)C=CC=C1~   14.323
21718 CC(C)OC(=O)C1=CC=CC(=C1)NC(=O)CN2CCOCC2~   14.323
21719 CCCCCNC[CH](OC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C=C~    9.777
21720 CCOC(=O)C(CC1=CC(=CC=C1)N)(NC(C)=O)C(=O)OCC~   15.733
21721 CCOC(=O)C(CC1=CC=C(N)C=C1)(NC(C)=O)C(=O)OCC~   15.733
21722 COCCOC1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)OCCOC~   16.975
21724 C[CH](NCCN[CH](C)C1=CC=CN=C1)C2=CC=CN=C2~   16.008
21725 CN(C)C[CH]1CCCC2=C1N=C(NS(=O)(=O)C3=CC=C(N)C=C3)S2~   16.438
21727 CCCCCCCC[CH]1SC(=NC1=O)NN=CC2=CC=C(O2)[N+]([O-])=O~   13.670
21728 CCC1=CC2=C(C=C1C(C)=O)C(C)(C)CCC2~    4.620
21729 C[CH]1CCC(C)(C)C2=C1C=C(C)C(=C2)C(C)=O~    4.620
21732 C[CH](CC1=CC=C(C=C1)C2CCCCC2)C=O~    4.712
21733 C[CH]1[CH](C)C(C)(C)C2=C1C=C(C)C(=C2)C(C)=O~    4.620
21734 CCOC(=O)[CH]1OC(=C(C(=O)OCC)[C]1(O)C(=O)OCC)C(=O)OCC~   11.914
21736 CC(=O)OC[CH]1O[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O~   16.943
21737 CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)C(=O)COC(C)=O~   15.353
21738 CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)C(O)=O~   18.036
21739 CCCC(=O)OC1=CC=C(C=C1)C2CCCCC2~    3.640
21742 COC1=C2C(=C(C=O)C=C1)C(C)(C)CCC2(C)C~    5.631
21743 CC(C)C1=CC=C(C=C1)C(=O)OC2CCCCC2~    3.910
21744 CCCCCC(=CC1=CC=CC=C1)C2OCCO2~    5.195
21745 CC(=O)[CH]1CC[CH]2[CH](CCC3=CC(=O)CC[CH]23)C1~    7.447
21746 CCC1(CC)COC(OC1)C=CC2=CC=CC=C2~    5.267
21747 CCCC1(C)COC(OC1)C=CC2=CC=CC=C2~    5.267
21748 CCCC1=C(OCC=C)C(=CC(=C1)C(O)=O)CCC~    7.496
21749 OC(=O)[CH](C1=CC=CC=C1)C2(O)CCCCCCC2~   11.162
21750 O=C1CCC2(CCCC3(CCC(=O)CC3)C2=O)CC1~   10.609
21752 CC1CCC(O)(CC1)[C](C)(C(O)=O)C2=CC=CC=C2~   11.162
21753 CCCCCCCCOC(=O)C1=C(C=CC=C1)C(O)=O~    8.294
21755 CCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCC~    5.914
21756 CCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCC~    5.914
21757 CCOC(=O)C[CH]([CH](C)C1=CC=CC=C1)C(=O)OCC~    6.857
21758 CC(C)COC(=O)C1=C(C=CC=C1)C(=O)OCC(C)C~    5.914
21759 CCC[CH]1O[CH](OC[CH]1CC)C2=CC3=C(OCO3)C=C2~    7.939
21760 CCC(CCCCCC1=CC=CC=C1)(C(O)=O)C(O)=O~   11.622
21762 COC(=O)CCCC1=CC=C(CCCC(=O)OC)C=C1~    6.936
21764 CC(=C)COC(=O)[CH]1C[CH]2O[CH]2C[CH]1C(=O)OCC(C)=C~    8.403
21765 COC1=CC=C(CC[C]2(C)OC[CH](COC(C)=O)O2)C=C1~    9.103
21766 CCOC(=O)C(CCCOC1=CC=CC=C1)C(=O)OCC~    8.128
21767 CCCCOOC(=O)C1=C(C=CC=C1)C(=O)OOCCCC~    5.105
21772 CCCCC(CCCC)(C#N)C1=CC=CC=C1~    4.623
21773 OCCN[CH](CC1=CC=CC=C1)[CH]2CCC=CC2~    9.735
21774 C[CH]1CCCCCN1CCC(=O)C2=CC=CC=C2~    7.932
21776 C[CH]1CCCCN1CCCSC(=O)C2=CC=CC=C2~    7.830
21777 C[CH]1CCCCN1CCCOC(=S)C2=CC=CC=C2~    7.272
21778 CC1CCN(CCCOC(=O)C2=CC=CC=C2)CC1~    7.382
21779 CCCCOC1=CC2=C(CCN=C2C)C=C1OCC~    5.561
21780 CC(C)OC1=CC2=C(C=C1OC(C)C)C(=NCC2)C~    5.561
21781 CCCCOC1=CC2=C(C[CH](C)N=C2C)C=C1OC~    5.561
21785 COC1=CC=C(C=C1)C(=O)CCN2CCC(C)CC2~    9.281
21786 CCCC[CH](N1CCOCC1)C(=O)C2=CC=CC=C2~    8.684
21787 CC(C)C(=O)O[CH]1CCCC[CH]1CC2=CC=CC=N2~    7.103
21789 CC(C)C1=C(OCC=C)C(=CC(=C1)C(N)=O)C(C)C~    9.186
21790 OC(=O)C[CH](NCC1=CC=CC=C1)C2CCCCC2~   10.495
21792 COC1=CC2=C(CN(CC2)[CH]3CCC[CH](O)C3)C=C1~   11.249
21793 COC1=CC2=C(C[CH](CC2)N3CCC[CH](O)C3)C=C1~   11.249
21794 CCN(CC)CCOC1=C2C(=O)CCC2=C(C)C=C1~    9.441
21796 CCCCCCCCNC(=O)C1=C(C=CC=C1)C(O)=O~   12.148
21797 CCN1CCC(O)(CC1)[CH](C(=O)OC)C2=CC=CC=C2~   12.331
21798 CCN(CC)C(=O)C[CH](C)[CH](C(O)=O)C1=CC=CC=C1~   12.876
21799 CCCOC1=CC=C(C=C1)C(=O)OCCN2CCCC2~    8.733
21800 CCN(CC)CCOC1=CC2=C(CCC2=O)C=C1OC~   10.712
21801 CCOC(=O)[CH](CCC1=CC=NC=C1)C(=O)CC(C)C~   10.166
21802 CCCCCCCCCN1C(=O)C2=CC=CC=C2S1(=O)=O~    7.583
21803 CCOC(=O)CCN[CH](CC1=CC=CC=C1)C(=O)OCC~    9.326
21804 CCOC(=O)C1=CC=C(OCCCN2CCOCC2)C=C1~   10.788
21806 CCOC(=O)C1=CC=CC(=C1)OCCCN2CCOCC2~   10.788
21807 COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCOCC2~   14.038
21808 CCCCOC(=O)[CH](C)OC(=O)NC1=C(OC)C=CC(=C1)C~   10.127
21809 C[CH]1C(=O)O[CH]2CCN3CC=C(COC(=O)[C](C)(O)[C]1(C)O)[CH]23~   11.870
21810 CCOC(=O)CC[CH](NS(=O)(=O)C1=CC=C(C)C=C1)C(=O)OCC~    9.445
21811 CCN(CC)CCCNC1=CC2=C(C=CN=C2)C=C1~   12.085
21813 CCN(CC)CCCNC1=CC(=CC2=CC=CN=C12)O~   16.068
21814 COC1=CC(=C2N=CC=CC2=C1)N[CH](C)CNC(C)C~   13.654
21817 CCN(CC)CCNC1=C2N=CC=CC2=CC(=C1)OC~   13.435
21818 CC1=CC=CC(=C1)N2CCN(CCOCCC#N)CC2~   12.629
21820 N#CCCOCCCN1CCN(CC1)C2=CC=CC=C2~   12.550
21821 CCN(CC)CCCNC1=CC(=CC2=CC=C(O)N=C12)O~   20.050
21822 N[CH](CCCCNC(=O)CNC(=O)OCC1=CC=CC=C1)C(O)=O~   17.455
21823 CCOC(=O)NC1=CC(=C(C)C(=C1)NC(=O)OCC)NC(=O)OCC~   14.833
21824 CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1NC2=CC=C(C=C2)S(=O)(=O)NC(C)=O~   23.959
21825 CCN(CC)CCNC1=CC=CC2=C(SC)C=CN=C12~   13.742
21826 CC1=CC2=C(C=C1)C(C)(C)C(C)(C)C2(C)C~    1.635
21827 CC[CH]1C(C)(C)C2=C(C=C(C)C=C2)C1(C)C~    1.635
21828 CC(C)[CH]1CCC(C)(C)C2=C1C=C(C)C=C2~    1.635
21830 CC1=CC2=C(C=C1C)C(C)(C)CCC2(C)C~    1.714
21831 CC(=C)C(CCC1=NC(=NC(=N1)N)N)(CCC2=NC(=NC(=N2)N)N)C(C)=O~   23.241
21832 CC1=CC=CC=[N+]1CCCC[N+]2=C(C)C=CC=C2~   12.058
21833 CC1=C[N+](=CC=C1)CCCC[N+]2=CC(=CC=C2)C~   12.058
21834 CC1=CC=[N+](CCCC[N+]2=CC=C(C)C=C2)C=C1~   12.058
21835 CN(C)C(=S)SCCOC1=C(CSC(=S)N(C)C)C=C(C)C=C1~    8.886
21836 CCN(CC)C(=O)C1=C(C=CC=C1)C(=O)N(CC)CC~    9.983
21837 OC1=C(CN2CCCC2)C=C(O)C(=C1)CN3CCCC3~   16.979
21838 CCO[CH]([CH](OCC)[N+]1=CC=CC=C1)[N+]2=CC=CC=C2~   16.007
21839 CC(C)(C)C(=O)NC1=CC=C(NC(=O)C(C)(C)C)C=C1~   10.213
21841 C[CH]1CN(C[CH](C)O1)CC(=O)NC2=C(C)C=CC=C2C~   12.047
21842 CCOC(=O)CCN(CC(C)C)C(=S)NC1=CC=CC=C1~    8.385
21843 CCO[CH]1CCC[CH](CC(=O)NNC2=CC=CC=C2)[CH]1O~   16.451
21844 CCCNCC(=O)NC1=CC(=CC=C1)C(=O)OCC(C)C~   12.131
21845 CCOC(=O)C1=C(NC(=O)CCN(CC)CC)C=CC=C1~   13.213
21846 CCCCCOC(=O)C1=CC=CC(=C1)NC(=O)CNCC~   12.131
21847 CCCCCOC(=O)C1=CC=C(NC(=O)CNCC)C=C1~   12.131
21849 CCN(CC)CC(=O)NC1=CC(=CC=C1)C(=O)OC(C)C~   11.914
21850 CC(C)OC(=O)C1=CC=CC(=C1)NC(=O)CNC(C)(C)C~   12.131
21851 CC(C)CNCC(=O)NC1=CC(=CC=C1)C(=O)OC(C)C~   12.131
21852 CCCCNCC(=O)NC1=CC(=CC=C1)C(=O)OC(C)C~   12.131
21857 CCCCCNC(C)(C)COC(=O)C1=CC=C(C=C1)[N+]([O-])=O~    9.648
21858 OC1=CC(=C(O)C(=C1)CN2CCOCC2)CN3CCOCC3~   21.086
21859 CCOC(=O)NC1=CC=C(C=C1)C(=O)OCCN(CC)CC~   12.664
21860 OC1=C(CN2CCOCC2)C=C(O)C(=C1)CN3CCOCC3~   21.086
21861 OC1=C(CN2CCOCC2)C(=C(O)C=C1)CN3CCOCC3~   21.086
21862 CCCCN1C(=O)C[CH](S[CH]2CC(=O)N(CCCC)C2=O)C1=O~   17.810
21864 CN(C)CC(CN(C)C)NC1=C2C=C(O)C=CC2=NC=C1~   19.618
21865 O=C1OCCOC(=O)N2CCN(CC2)C(=O)OCCOC(=O)N3CCN1CC3~   20.979
21868 CC=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C~    3.738
21869 CC(C)[CH]1CC[CH](C)[CH](C1)C2=CC=C(O)C=C2~    5.457
21871 COC1=CC2=C(C=C1C)C(C)(C)CCC2(C)C~    2.987
21873 CCOC1=CC2=C(C=C1)C(C)(C)CCC2(C)C~    2.907
21874 CC1=C(C=C[C](C)(O)CC#C)C(C)(C)CCC1~    5.043
21875 CCCCCCCCCC(=O)C1=CC=CC=C1~    4.024
21876 CC(C)[CH](CC1=CC=C(C=C1)C(C)C)C(C)=O~    4.616
21877 CCOC(=O)[CH](C)OC(=O)[CH](C)OC(=O)[CH](C)OC(=O)[CH](C)OC(C)=O~   10.234
21878 CCOC(=O)C(C(C(C(=O)OCC)C(=O)OCC)C(O)=O)C(=O)OCC~   16.016
21879 CCC[CH]1O[C](C)(OC[CH]1CC)C2=CC=CC=C2~    4.883
21880 CCCC[CH](CC)COC(=O)CC1=CC=CC=C1~    3.987
21881 CCCCC1(CC)COC(OC1)C2=CC=CC=C2~    4.883
21884 CCC(CC)COC(=O)C1=CC=C(C=C1)C(C)C~    3.556
21885 CCCC[CH](C)OC(=O)C1=CC=C(C=C1)C(C)C~    3.556
21886 C[CH](COC(C)=O)CC1=CC=C(C=C1)C(C)(C)C~    4.068
21887 CCCCCCCCCOC(=O)C1=CC=CC=C1~    3.475
21888 CC(=O)OC1=CC=C(C=C1)C(C)(C)CC(C)(C)C~    3.284
21891 CCCC1(CC)COC(OC1)C2=CC=C(C)C=C2~    4.963
21892 CC(C)[CH]1O[CH](OCC1(C)C)C2=CC=C(C)C=C2~    4.963
21893 CC(C)C[CH](C)OC(=O)C1=CC=C(C=C1)C(C)C~    3.556
21894 CC(C)[CH]1O[CH](CC2=CC=CC=C2)OCC1(C)C~    4.883
21895 CCC1(CC)COC(C)(CC2=CC=CC=C2)OC1~    4.883
21896 CCC1(CC)COC(CC)(OC1)C2=CC=CC=C2~    4.883
21897 CCCCCCCCOC(=O)C1=CC(=CC=C1)C~    3.556
21898 CC[CH](CC(C)C)C(=O)OCCC1=CC=CC=C1~    3.987
21900 CC(C)[CH]1O[C](C)(OCC1(C)C)C2=CC=CC=C2~    4.883
21902 CCCC1(C)COC(CC)(OC1)C2=CC=CC=C2~    4.883
21903 CCCCCCCCOC(=O)[CH](O)C1=CC=CC=C1~    4.796
21904 CCC[CH]1O[CH](OC[CH]1CC)C2=CC=C(OC)C=C2~    6.234
21905 CCCCCC[C](C)(O)[CH](C(O)=O)C1=CC=CC=C1~   10.807
21907 CC[CH](C)C1=C(OC[CH](C)OC(=O)CC)C=CC=C1~    5.339
21908 CCC(=O)O[CH](C)COC1=CC=C(C=C1)C(C)(C)C~    5.339
21909 CCCCCCCCOC(=O)C1=CC=C(OC)C=C1~    4.827
21910 COC1=CC=C(C=C1)[CH]2OCC(C)(C)[CH](O2)C(C)C~    6.234
21911 COC1=CC=C(CCC2(C)OCC(C)(C)CO2)C=C1~    6.234
21912 CC[CH](CC(C)C)C(=O)OCCOC1=CC=CC=C1~    5.259
21913 CC(C)C1=CC=C(C=C1)[CH]2OC[CH](CCCCO)O2~    9.400
21914 O=C(OC1CCCCC1)C=CC(=O)OC2CCCCC2~    6.339
21915 CCCC(=O)OCCCOCCCOC1=CC=CC=C1~    7.313
21916 CC(C)C(=O)OCCCOCCCOC1=CC=CC=C1~    7.313
21917 C[CH]1C[CH]2O[CH]2C[CH]1COC(=O)[CH]3C[CH]4O[CH]4C[CH]3C~    8.188
21918 CCCCCCCCOC(=O)C1=CC=C(O)C(=C1)OC~    8.810
21919 CCCCOCCOCCOC(=O)C1=C(C)C=CC=C1~    7.666
21920 CCCCOCCOCCOC(=O)C1=CC(=CC=C1)C~    7.666
21923 CCOCCOCCOC(=O)C1=CC=C(C=C1)C(C)C~    7.666
21924 CCCCO[CH](C)O[CH](CC)C1=CC2=C(OCO2)C=C1~    7.585
21925 CCCCOCCOCCOC(=O)C1=CC=C(C)C=C1~    7.666
21926 CC1=CO[C](C)(CC1)COC(=O)[C]2(C)CCC(=CO2)C~    4.439
21927 CCCCOCCOCCOC(=O)C1=CC=C(OC)C=C1~    8.936
21928 CCSC(SCC)[CH](O)[CH](O)[CH](O)COC(=O)C1=CC=CC=C1~   14.975
21930 C[CH](CC1CCCCC1)NCC2=CC=CC=C2~    5.243
21932 CCCCO[CH](N1CCCCC1)C2=CC=CC=C2~    5.780
21933 CC(C)C1=CC(=C(C)C=C1O)CN2CCCCC2~    9.168
21934 CN(C)CC1=C(O)C(=CC(=C1)C(C)(C)C)CC=C~    8.939
21937 CCCCN(CCCC)C(=O)C1=CC=C(C)C=C1~    7.190
21938 CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)C(C)C~    7.190
21940 CCCCC1=CC(=C(O)C=C1)CN2CCCCC2~    9.088
21941 CN(C)CCOC1(CCCCC1)C2=CC=CC=C2~    7.079
21942 CC1=CC(=CC(=C1O)C)CN2CCCCCCC2~    9.168
21943 CN[CH](CC1CCCCC1)C2=CC=C(OC)C=C2~    6.593
21946 CC(C)CN(CC(C)C)C(=O)C1=C(C)C=CC=C1~    7.190
21947 CCCC[CH](CCC1=CC=CC=C1)C(=O)NCC~    7.842
21948 CC(C)CC(=O)[CH](CCC1=CC=CC=N1)C(C)C~    7.297
21950 CCCCCCCCCCOC(=O)C1=CC=CN=C1~    6.235
21951 CC(C)C1=CC(=C(C)C=C1)[CH](O)CN2CCOCC2~   11.678
21955 COC1=CC=C(C=C1OC)[CH](N)CC2CCCCC2~    8.164
21957 CCCC[CH]([CH](O)C1=CC=CC=C1)N2CCOCC2~   11.516
21958 CCN(CC)CC[C](C)(O)[CH](C(O)=O)C1=CC=CC=C1~   14.358
21960 CC1=C(C)C=C(NC[CH](O)[CH]2OC(C)(C)O[CH]2CO)C=C1~   14.071
21961 CCN(CC)CCOC(=O)C1=CC(=C(OC)C(=C1)OC)OC~   11.079
21962 CCN(CC)CCOC(=O)C1=C(OC)C=C(OC)C(=C1)OC~   11.079
21963 CCN(CC)CCOC(=O)C1=C(OC)C(=CC=C1OC)OC~   11.079
21964 CN(C)CCC(CCN(C)C)(C#N)C1=CC=CC=C1~   11.726
21966 COC1=CC=C(C=C1)[C](CCN(C)C)(CN(C)C)C#N~   13.076
21967 NC1=CC=C(C=C1)C(=O)NCCSCCN2CCCCC2~   16.783
21968 CCN(CC)C1=CC=C(NC(=O)CN2CCOCC2)C=C1~   13.932
21971 CCCCN(CCCC)C(=N)C1=C(C)C=CC=C1~    6.272
21972 CCN(CC)CCN[CH]1CCC2=C(C1)C=CC=C2~    8.873
21973 CCN(CC)CCNC(=O)C1=C(C)C=C(C)C=C1C~   11.120
21974 C[N+]1(CCCCC1)CC[CH](C(N)=O)C2=CC=CC=C2~   20.231
21975 CCCCN(CCCC)CNC(=O)C1=CC=CC=C1~    8.380
21976 CCN(CC)C[CH](O)CN1CCCC2=C1C=CC=C2~   11.506
21977 CCCCN(CCCC)C(=N)C1=CC=C(OC)C=C1~    7.544
21978 CCCCN(CCCC)C(=N)C1=CC=CC(=C1)OC~    7.544
21979 C[CH]1CN(CCCCO)CCN1CC2=CC=CC=C2~   13.012
21980 C[CH]1CN(CCCO)CCN1CCC2=CC=CC=C2~   13.012
21981 CN(C)CC[C](O)([CH]1CCCCN1)C2=CC=CC=C2~   13.231
21982 CCCCSCN1CCN(CC1)C2=C(OC)C=CC=C2~    7.764
21983 CC(C)CN(CCC1=CC=C(C=C1)[N+]([O-])=O)CC(C)C~    7.073
21984 CCCCN(CCCC)CCC1=CC=C(C=C1)[N+]([O-])=O~    7.073
21985 CCCOC1=CC=C(C=C1)C(=O)NCCN(CC)CC~   12.231
21986 CCCN(CCC)CCCOC(=O)C1=CC=C(N)C=C1~   10.478
21987 CN(C)CCC(CCN(C)C)(C(O)=O)C1=CC=CC=C1~   13.471
21988 CCN(CC)CCCCCOC(=O)C1=CC(=CC=C1)N~   10.478
21989 CCCCOC1=C(N)C=C(C=C1)C(=O)OCCNCCC~   12.047
21992 CC=CC(=O)OCCN1CCN(CCOC(=O)C=CC)CC1~   13.141
21993 CC(=O)N(N[CH]1[CH](O[CH]2OC(C)(C)O[CH]12)[CH]3COC(C)(C)O3)C(C)=O~   19.465
21994 CCCCSCN1CCN(CC1)C2=CC(=CC=C2)C~    6.495
21996 NC1=CC=CC=[N+]1CCCCCC[N+]2=C(N)C=CC=C2~   18.801
21998 C[CH](S[CH](C)C(=O)NN=C1CCSCC1)C(=O)NN=C2CCSCC2~   16.358
21999 O=C(CCSCCC(=O)NN=C1CCSCC1)NN=C2CCSCC2~   16.358
22000 CCCCCCCCOC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C~   10.812
22001 C[CH]1C[CH](C)C(=NNC(N)=S)[CH](C1)[CH](O)CC2CC(=O)NC(=O)C2~   16.277
22002 CNC(=O)OC1=CC(=C(OC(=O)NC)C=C1CN(C)C)CN(C)C~   16.041
22003 CCC1=CC(=CC(=C1O)C(C)(C)C)C(C)(C)C~    5.261
22007 CC(C)[C](C)(O)CC(C)(C)C1=CC=C(C)C=C1~    5.636
22009 CC(C)(C)CC(C)(C)C1=CC=C(OCCO)C=C1~    6.907
22010 CCC(C)(C)C1=C(O)C=C(C(=C1)O)C(C)(C)CC~    9.164
22012 COC1(C)C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C~    5.629
22014 COCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C~    7.316
22016 CC=CCCCCCCCCC[CH]1CC(=O)OC1=O~    3.383
22018 CO[CH]1[CH](O)CC[C]2(CO2)[CH]1[C]3(C)O[CH]3CC=C(C)C~   11.439
22019 CCOC(=O)[CH](CC[CH](CC=C)C(=O)OCC)CC=C~    5.281
22021 O=C(CCCCC(=O)OC[CH]1CCCO1)OC[CH]2CCCO2~   10.747
22022 CCCCCC(CCCCC)C1=CC=CC=N1~    3.879
22023 CCCCCN(CCCC)CC1=CC=CC=C1~    4.670
22024 CC(C)C1=CC(=C(C)C(=C1)C(C)C)CN(C)C~    4.910
22025 C1CC2CC1CC2CNCC3CC4CCC3C4~    4.479
22032 CC1=C(O)C(=CC(=C1)C(C)(C)C)CNC(C)(C)C~    9.031
22033 CCCCCNC[CH](O)CC1=CC=C(OCC)C=C1~   10.676
22035 CCOC(=O)OC(=S)N(C1CCCCC1)C2CCCCC2~    4.762
22036 CO[CH](C)[C](O)(C(C)C)C(=O)OCC1=CCN2CC[CH](O)[CH]12~   10.701
22037 COC(C)C(O)(C(C)C)C(=O)OCC1=CC[N+]2([O-])CCC(O)C12~   17.796
22038 CCC(=O)OCCN(CCOC(=O)CC)C(=O)[CH](C)OC(=O)CC~   13.550
22040 CCN(CC)CC(=O)NC1=CC=C(C=C1)N(CC)CC~   11.520
22041 CCOC1=C(C=CC(=C1)N)C(=O)NCCCN(CC)CC~   15.682
22042 CCCCCOC(=O)C1=C(N)SC(=N1)NCC2CCCCC2~   13.295
22043 CNN=C1[CH](C)C[CH](C)C[CH]1[CH](O)CC2CC(=O)NC(=O)C2~   14.595
22044 CCCCCCCCCCCNC1=C2C=NNC2=NC=N1~   11.588
22045 CCCCCCCCCCCN1C=NC2=C1N=C(N)N=C2O~   11.027
22046 CCN(CC)CCC[CH](C)NCC1=CC=CC=C1~    8.438
22050 CC1CN1C(=O)CCCCCCCCC(=O)N2CC2C~    9.807
22051 CCN(CC)CCNC[CH](O)CC1=CC=C(OC)C=C1~   14.226
22052 CC(C)(C)NCC1=C(O)C=C(CNC(C)(C)C)C(=C1)O~   16.703
22053 O=C1[CH](CCC[CH]1CN2CCOCC2)CN3CCOCC3~   14.983
22054 COC(=O)[C]1(CCC[C](CN(C)C)(C(=O)OC)C1=O)CN(C)C~   15.900
22056 CCCCOC1=CC(=CC(=N1)N)C(=O)NCCN(CC)CC~   17.483
22057 CCCCCCCCCCCCOC1=NC(=NC2=C1N=NN2)N~    8.917
22058 S=C1NCN2CCN(CC2)CNC(=S)C(=S)NCN3CCN(CC3)CNC1=S~   20.407
22059 CC(C)C=C(C)[CH]1CCC(=C1CC[CH](C)O)C~    3.975
22060 C=CCCCCCCCCC(=O)OC1CCCC1~    2.640
22061 CC1CCC(CC1)OC(=O)CCC2CCCCC2~    2.866
22062 CC(C)C(=O)O[CH]1CCCC[CH]1C2CCCCC2~    2.866
22063 CC(C)C(=O)OC1CCC(CC1)C2CCCCC2~    2.866
22068 CC(C)[CH]1O[CH](OCC1(C)C)[CH]2CC=CC[CH]2C~    3.463
22069 O=C1CCCCCCCC=CCCCCCCO1~    2.569
22071 CCCCCC[C]1(OC12CCCCC2)C(=O)OCC~    4.572
22072 CCCCCCC(C1CCCCCC1)(C(O)=O)C(O)=O~   10.146
22074 CCCC(=O)OCC1CCC(CC1)COC(=O)CCC~    5.382
22075 CCCCOCCOC(=O)C=CC(=O)OCCOCCCC~    9.738
22076 CCC(=O)OCCCC(CCCOC(=O)CC)OC(=O)CC~    7.896
22078 CCC[N+](CCC)(CCC)CC1=CC=CC=C1~   12.936
22079 CCCCCC[N+]1(C)C[CH]2[CH]3C[CH](C=C3)[CH]2C1~   12.225
22080 CC(C)C[CH](C)N=C1C[CH]2CC[C]1(C)C2(C)C~    1.303
22081 CCC[CH](C1CCCC1)C(=O)S[CH](C)N2CCCC2~    4.197
22083 CCCCCCCCCCCC(=O)N1CCCC1=O~    5.900
22084 C[CH]1CCCCN1CCCOC(=O)C2CCCCC2~    6.418
22085 CCC1(COC(CCCCCCCCC=C)OC1)[N+]([O-])=O~    6.423
22086 CCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC~   10.449
22087 CCCCC(CCCC)(CN1CCCCC1)C#N~    6.699
22088 CC[N+](C)(CC)CC[N+]1(C)CC2=CC=CC=C2C1~   19.186
22089 CCCCCCCN=C1SSC(=O)N1CCCCCCC~    5.423
22090 C1CC[CH](CN2CCN(CC2)C[CH]3CCCCO3)OC1~   12.465
22093 CN1CCN(CC1)C(=O)OCCOCCOC(=O)N2CCN(C)CC2~   17.866
22094 C(CCCCCSC1=NCCN1)CCCCSC2=NCCN2~   14.335
22095 CCC[CH](C)[CH]1CCC(=O)[CH](C1)[CH](C)CCC~    3.061
22096 CS(=O)(=O)OC[CH]1O[CH](O[C]2(COS(C)(=O)=O)O[CH](COS(C)(=O)=O)[CH](O)[CH]2O)[CH](OS(C)(=O)=O)[CH](O)[CH]1O~   32.650
22097 CCCCCCCCCCCCOC(=O)C(C)=C~    2.485
22099 CCCCCCCCCCCCCOC(=O)C=C~    2.558
22100 CCCC[C](O)(CC)C#C[C](O)(CC)CCCC~    6.366
22101 CC1(C)COC(CCCCCCCCC=C)OC1~    3.180
22102 C[CH]1C[CH](C)O[CH](CCCCCCCCC=C)O1~    3.180
22103 CCCCCC(=O)OC1CCC(CC1)C(C)(C)C~    2.511
22104 CCCC(O)(CCC)C#CC(O)(CCC)CCC~    6.366
22106 CCCCCCCCCCCC[CH]1CCC(=O)O1~    2.511
22108 CC(C)[C]1(C)CC[CH](C)[CH]1CC[CH](C)OC(C)=O~    2.511
22109 CCCCC[C](C)(O)C#C[C](C)(O)CCCCC~    6.366
22110 CCC[CH](OC(C)=O)[CH]1C[CH](CC[CH]1C)C(C)C~    2.511
22111 CC(C)[CH]1O[C](C)(CCC=C(C)C)OCC1(C)C~    3.036
22112 CCCC[CH](CC)C(=O)OCCCC[CH]1CCCO1~    5.467
22113 CCCCCCCC(=O)OCCCC[CH]1CCCO1~    5.467
22114 CCCCCCCCC(=O)OCCC[CH]1CCCO1~    5.467
22116 CC(C)C[CH](C)C[CH](CC(C)C)OC(=O)CC(C)=O~    5.575
22117 CCC(CC)C(=O)OCCCCOC(=O)C(CC)CC~    5.026
22118 CCCCCCCC[CH](CCOC(C)=O)COC(C)=O~    5.026
22120 COC(=O)CCCCCCCCCCCCC(=O)OC~    5.026
22121 OC(=O)CCCCCCCCCCCCCCC(O)=O~    9.790
22122 CCCCCCCCOC(=O)O[CH](C)C(=O)OCCCC~    3.627
22123 CCCCCCCCCCCCCCCC#N~    2.793
22124 CCCCCC#CCN(CCCC)CCCC~    4.042
22125 C[CH]1CCCC[CH]1CNC[CH]2CCCC[CH]2C~    3.767
22126 CCCCCCCCCCCC1=N[CH](CC)CO1~    3.002
22127 CCCCCCCCCCCC1=NC(C)(C)CO1~    3.002
22128 CCCCCCCCCCCC(=O)N1CCOCC1~    8.202
22131 CCCCCCCCCCCCNC(=S)SCCC(O)=O~    7.924
22132 CCCCCCCCCCCC1=NC(CO)(CO)CO1~    8.876
22133 CCCCCCCCCCCC[CH](NC(C)=O)C(O)=O~    9.963
22134 CCCCCCCCCCCCN(CC(O)=O)CC(O)=O~   10.740
22135 CCCCCCCCCCC1OCC(CC)(CO1)[N+]([O-])=O~    6.295
22136 CCCCCCCCCCCCCCOC(=O)CO[N+]([O-])=O~    4.726
22137 CCCCCCCCCCCCSC1=CCCN1~    2.120
22138 COC(=O)[CH](NC(=O)[CH](NC(=O)[CH](N)C(C)C)C(C)C)C(C)C~   12.491
22139 CCCCN1CCN(CCCC)[CH]2CCCC[CH]12~    7.100
22140 C[N+](C)(C)CCC[N+]1(C)C[CH]2[CH]3C[CH](C=C3)[CH]2C1~   18.041
22141 CCCCCCCCCC1=NC(C)(C)CN1CCO~    8.936
22142 CCCCCCCC(=O)NNC(=O)CCCCCCC~    8.143
22143 CCOC(=O)NCCCCCCCCCCNC(=O)OCC~    8.435
22144 O=S(=O)(CCN1CCCCC1)CCS(=O)(=O)CCN2CCCCC2~   15.489
22147 CCCCCCCCCCC[CH]1CC[CH](C)O1~    2.597
22148 CCC[CH](C)[CH]1CC[CH](O)[CH](C1)[CH](C)CCC~    4.080
22150 CCCCCCCCCCCC(=O)OCCCC~    2.157
22152 CCCCCCC1OCC(CC)(CCCC)CO1~    3.052
22153 CCCCCCCCC[CH]1O[CH](C)CC(C)(C)O1~    3.052
22155 CCCCCCCCCCCCCC(=O)OCC~    2.157
22156 CCCCCCC[CH](CCCCC)C(=O)OCC~    2.157
22157 CCCCCCCCCC[CH]1O[CH](C)C[CH](C)O1~    3.052
22158 CCCCCCCCCCC1OCC(C)(C)CO1~    3.052
22160 CCCCCCCCOC(=O)CCCCCCC~    2.157
22162 CCCCCCCCC1OCC(C)(CCC)CO1~    3.052
22163 CCCCCCCCC[CH]1OCC(C)(C)[CH](C)O1~    3.052
22164 CCCCCCCCCCCC(=O)O[CH](C)CC~    2.157
22166 CCCCCCCCCC1OCC(C)(CC)CO1~    3.052
22167 CCCCC[C]1(CC)OCC(C)(C)[CH](O1)C(C)C~    3.052
22168 CCCCCCCCCC1(C)OCC(C)(C)CO1~    3.052
22170 CCCCCC1(C)OCC(CC)(CCCC)CO1~    3.052
22171 CCCCCSCCCCCCCCCCC(O)=O~    6.635
22173 CCCCCCCCCCCCCC[CH](O)C(O)=O~    5.346
22174 CCCCCCCCCCCC(=O)OCCOCCO~    8.648
22175 CCCCOCCOCCOC(=O)[CH](CC)CC(C)C~    6.266
22177 OCCCCCC[CH](O)[CH](O)CCCCCCCC(O)=O~   11.851
22178 CCCCCCCCCCCCCC[CH](C(O)=O)S(O)(=O)=O~   11.305
22179 CC(C)O[CH]1O[CH](OC(C)C)[CH](OC(C)C)O[CH]1OC(C)C~   11.271
22180 CCCCCCCCCCCCCCCC(N)=O~    6.228
22181 CCCCCCCCCCCC(=O)N(CC)CC~    5.790
22182 CCCCCCCCCCCC(=O)NCCCC~    6.010
22183 CCCCCCCC(=O)N(CCCC)CCCC~    5.790
22184 CCCCCCCCCCCCCC[CH](N)C(O)=O~    7.226
22185 CCCCCCCCCCCCCCCN1N=NNC1=N~    8.329
22186 CCCCCCCCCCCCCCCC~   -0.462
22187 CCCCNC(=NCCCC)[CH](CC)CCCC~    4.361
22188 CCCCN=C([CH](CC)CCCC)N(CC)CC~    4.142
22189 CCCCCCCCNN=CCCCCCCC~    2.971
22190 CC[N+](C)(CC)CC[N+]1(C)C[CH]2CC=CC[CH]2C1~   17.686
22191 CCCC[CH](CC)CN(C[CH](CC)CCCC)N=O~    3.963
22192 CCCCCCCCCCCCCCCC(=O)NN~    8.607
22193 CCCCCCCCN(CCCCCCCC)N=O~    3.963
22194 C[N+]1(CCOCC1)CC[N+]2(C)C[CH]3CCCC[CH]3C2~   20.040
22195 CCCCSCN1C[CH](C)N(CSCCCC)C[CH]1C~    5.593
22196 CCCCNC(=N)SCCCCCCSC(=N)NCCCC~   14.061
22197 CCCCCC(O)(CCCCC)CCCCC~    3.524
22198 CCCCCCCC[CH](CO)CCCCCC~    3.524
22199 CCCCCCCCCCCCCCCCO~    3.524
22200 CCCCCCCCCCC[CH](O)C(C)(C)C~    3.524
22201 CCCCCCCCOCCCCCCCC~    1.342
22204 CCCCCCCCC[CH](C[CH](OC)OCC)OC~    4.752
22205 CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C~    2.590
22206 CCC(CC)CS(=O)(=O)OCCCCOS(=O)(=O)CC(CC)CC~    8.057
22207 CC(C)[CH](C)CS(=O)(=O)OCCCCOS(=O)(=O)C[CH](C)C(C)C~    8.057
22208 CCC(C)(C)CS(=O)(=O)OCCCCOS(=O)(=O)CC(C)(C)CC~    8.057
22209 CCCCCCCCNCCCCCCCC~    3.057
22210 CCCC[CH](CC)CNC[CH](CC)CCCC~    3.057
22211 CCCCCCCCCCCCN(CC)CC~    2.839
22213 CCCCCCCCCCCCCCCCN~    3.275
22214 CCCCCCCCCCCCNCCCC~    3.057
22215 CCCCN(CCCC)CCCCCCCCO~    7.275
22216 CCCC[N+](CCCC)(CCCC)CC(=O)OCC~   12.672
22217 CCCCCCCCCCCC[N+](C)(C)CC(O)=O~   15.055
22218 CCCCCCCCNS(=O)(=O)CCCCCCCC~    3.611
22219 CCCCCN(CCCCC)CCCCCCN~    6.827
22221 CC(C)(C)CC(C)(C)NS(=O)(=O)NC(C)(C)CC(C)(C)C~    5.090
22222 OCC[N+]1(CCOCC1)CCOCC[N+]2(CCO)CCOCC2~   29.668
22223 C[N+](C)(CCCCCC[N+](C)(C)CC(=O)NC(N)=O)CC(=O)NC(N)=O~   35.680
22224 CCCC[N+](CCCC)(CCCC)CCCC~   11.103
22226 C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C~   16.917
22227 OC1=C(C#N)C(=C(O)C2=C1C(=O)C3=C(C=CC=C3)C2=O)C#N~   14.293
22229 O=C1N2N(C(=O)C3=C1C=CC=C3)C(=O)C4=CC=CC=C4C2=O~   16.098
22230 [O-][N+](=O)C1=CC(=C(OC2=NN(C(=O)C=C2)C3=C(C=C(C=C3)[N+]([O-])=O)[N+]([O-])=O)C=C1)[N+]([O-])=O~   18.013
22231 O=C1OC(=O)C2=C1C3=C(C=CC=C3)C4=C2C=CC=C4~    7.218
22232 O=C1OC(=C2OC(=O)C3=C2C=CC=C3)C4=C1C=CC=C4~    7.447
22233 OC1=C(C(=O)C2=C1C=CC=C2)C3=NC4=CC=CC=C4S3~   15.023
22234 O=C1C2=C(C=CC=C2)C(=O)C3=C1N=NN3C4=CC=CC=C4~   14.492
22236 O=C1C2=CC=CC=C2C3=CC=CC4=CC=CC1=C34~    7.180
22237 O=CC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34~    7.684
22238 OC(=O)C1=CC(=C(C=C1)C(O)=O)C(=O)C2=C(C=CC(=C2)C(O)=O)C(O)=O~   24.496
22239 OC1=CC2=C(C=C1)C3=CC=CN=C3C4=C2C=CC=C4~   12.166
22240 O1C2=C(N=C1C3=CC=CC=C3)C4=C(C=CC=C4)C=C2~    8.288
22241 N#CC1=CC(=CC=C1)C2=CC=C(O2)C3=CC=CC=C3~    6.514
22242 OC1=C(C2=NC3=CC=CC=C3S2)C4=CC=CC=C4C=C1~   12.535
22243 O=C1C=CC(=O)N1C2=CC3=C(C=C2)C4=CC=CC=C4C3~    8.996
22244 OC(=O)C1=C2C3=C(SC4=CC=CC=C4N3)C=CC2=CC=C1~   13.263
22245 [O-][N+](=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=CC=C3)C=C2~    8.306
22246 O=C1ON=C(C2=CC=CC=C2)C1=CC3=CC4=C(OCO4)C=C3~    9.479
22247 O=C1OC(=NC1=CC2=CC3=C(OCO3)C=C2)C4=CC=CC=C4~    9.451
22248 OC(=O)C=CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=O~   17.719
22249 OC(=O)C=CC(=O)NC1=C2C(=CC=C1)C(=O)C3=C2C=CC=C3~   17.719
22251 COC1=CC=CC2=C3C4=C(OCO4)C=C(C(O)=O)C3=C(C=C12)[N+]([O-])=O~   15.553
22252 S1C2=CC3=CC=CC=C3C=C2N=C1C4=CC=CC=C4~    8.553
22255 N1C2=C(N=C1C3=CC=CC=C3)C4=C(C=CC=C4)C=C2~    8.561
22257 O=C(N1C=CC2=C(C=CC=C2)[CH]1C#N)C3=CC=CC=C3~   12.896
22258 CN1C2=C(SC3=C1C=CC(=C3)C=C4SC(=S)NC4=O)C=CC=C2~   12.662
22260 CN1C(=O)C=C2C3=C(C(=CC=C3)N)C(=O)C4=C2C1=CC=C4~   15.455
22261 CN1C(=O)C=C2C3=C(C=CC=C3)C(=O)C4=C2C1=CC=C4N~   15.455
22262 OC(=O)C1=CC2=C(C=CC=C2)C(=C1O)N=NC3=CC=CC=C3~   11.423
22264 [O-][N+](=O)C1=C2C=CC=CC2=CC=C1NC(=O)C3=CC=CC=C3~   10.987
22266 OC1=CC2=C(C=CC=C2)C=C1C(=O)NC3=CC=C(C=C3)[N+]([O-])=O~   13.210
22267 [O-][N+](=O)C1=CC(=CC=C1)C=CC(=O)C=CC2=CC=CC(=C2)[N+]([O-])=O~   12.367
22268 OC(=O)C1=CC=C(NC(=O)CN2C(=O)C3=C(C=CC=C3)C2=O)C=C1~   18.122
22272 OC(=O)[CH](CC1=CC=C(C=C1)[N+]([O-])=O)N2C(=O)C3=CC=CC=C3C2=O~   14.851
22273 OC(=O)C[CH](N1C(=O)C2=CC=CC=C2C1=O)C3=CC(=CC=C3)[N+]([O-])=O~   16.151
22274 OC(=O)C1=C(O)C=CC(=C1)N=NC2=CC3=C(C=C2)C=C(C=C3)S(O)(=O)=O~   17.752
22275 OS(=O)(=O)C1=CC2=C(C=C1)C=C(NC(=O)C3=CC=C(C=C3)[N+]([O-])=O)C=C2~   18.658
22276 OC(=O)[CH](CSC1=CC=C(C=C1)[N+]([O-])=O)N2C(=O)C3=CC=CC=C3C2=O~   16.429
22277 OC1=C2C=CC(=CC2=CC(=C1)S(O)(=O)=O)NC(=O)C3=CC=C(C=C3)[N+]([O-])=O~   22.640
22279 OC(=O)C1=C(O)C=CC(=C1)N=NC2=CC3=C(C=C(C=C3C=C2)S(O)(=O)=O)S(O)(=O)=O~   24.083
22280 OC(=O)C1=C(C=CC=C1)N=NC2=C(O)C(=CC3=C2C=CC(=C3)S(O)(=O)=O)S(O)(=O)=O~   27.183
22282 OC1=C(C=NNC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C3=C(C=CC=C3)C=C1~   14.848
22283 O=C(C1=CC=CC=C1)C2=CC3=C(C=CC=C3)C=C2~    6.721
22285 O=C1C=C(C2=CC=CC=C2)C(=C1)C3=CC=CC=C3~    7.860
22286 OC(=O)C=CC1=C2C=CC=CC2=C3C=CC=CC3=C1~    9.910
22287 OC(=O)C=CC1=C2C=CC=CC2=CC3=C1C=CC=C3~    9.910
22288 O=C(OC1=C2C=CC=CC2=CC=C1)C3=CC=CC=C3~    5.903
22289 O=C(OC1=CC2=C(C=CC=C2)C=C1)C3=CC=CC=C3~    5.903
22290 OC1=CC=C2C=CC=CC2=C1C(=O)C3=CC=CC=C3~    7.606
22291 OC1=C2C=CC=CC2=CC=C1C(=O)OC3=CC=CC=C3~    6.785
22292 OC1=C(C=CC=C1)C(=O)OC2=CC3=C(C=CC=C3)C=C2~    6.785
22296 CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=CC=C3~    8.427
22297 O[CH](C1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34)S(O)(=O)=O~   16.242
22298 CC1=C2C=C3SC4=CC=CC=C4C3=CC2=CC=C1~    5.928
22302 O=C(CC1=NC2=C(C=CC=C2)C=C1)C3=CC=CC=C3~    9.996
22303 NC1=CC=C2C=CC=CC2=C1C(=O)C3=CC=CC=C3~   10.174
22304 O=C(NC1=C2C=CC=CC2=CC=C1)C3=CC=CC=C3~    9.924
22308 O[C]1([CH]2N=CC=C[CH]2C3=C(C(=O)C4=CC=CC=C4C3=O)[C]1(O)S(O)(=O)=O)S(O)(=O)=O~   29.180
22310 OC1=C(C=CC=C1)C(=O)NC2=CC3=C(C=CC=C3)C=C2~   10.807
22312 OC1=CC=C2C=CC=CC2=C1NC(=O)C3=CC=CC=C3~   13.907
22313 ON=C1C(=O)CC(=C1C2=CC=CC=C2)C3=CC=CC=C3~   10.089
22314 COC1=CC=C2N=C(C=CC2=C1)C(=O)C3=CC=CC=C3~   10.833
22316 CC1=NC2=CC=CC=C2C(=C1C3=CC=CC=C3)C(O)=O~   11.932
22317 OC(=O)C1=C(NC2=CC=CC=C2)C=C3C=CC=CC3=C1~   11.686
22318 CN1C=C([CH]2OC(=O)C3=C2C=CC=C3)C4=C1C=CC=C4~    8.444
22319 CC1=CN([CH]2OC(=O)C3=C2C=CC=C3)C4=C1C=CC=C4~    8.444
22321 OC(=O)CSC1=C2C=CC=CC2=NC(=C1)C3=CC=CC=C3~   13.939
22322 COC1=CC=C(C=C1)C=C2N=C(OC2=O)C3=CC=CC=C3~    7.745
22323 OC(=O)C=CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2~   15.325
22324 O=C1CCC(=O)N1C2C3=C(OC4=C2C=CC=C4)C=CC=C3~   10.444
22325 COC1=CC2=C(C=C(N=C2C=C1)C3=CC=CC=C3)C(O)=O~   13.201
22326 OC(=O)C=CC(=O)NC1=C2C(=CC=C1)CC3=C2C=CC=C3~   15.325
22327 OC(=O)C=CC(=O)NC1=CC2=C(CC3=C2C=CC=C3)C=C1~   15.325
22328 OC(=O)CCC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=O~   17.116
22330 CCOC(=O)NC1=CC2=C(C=C1)C(=O)C3=C(C=CC=C3)C2=O~   13.767
22331 OC(=O)[CH](CC1=CC=C(O)C=C1)N2C(=O)C3=CC=CC=C3C2=O~   16.431
22332 OC1=C2C=CC(=CC2=CC(=C1)S(O)(=O)=O)NC(=O)C3=CC=CC=C3~   20.237
22333 OS(=O)(=O)C1=CC2=CC(=CC(=C2C=C1)NC(=O)C3=CC=CC=C3)S(O)(=O)=O~   22.585
22334 OC1=CC(=CC2=CC(=CC(=C12)NC(=O)C3=CC=CC=C3)S(O)(=O)=O)S(O)(=O)=O~   26.567
22336 CC1=CC2=C(NC3=C(S2)C4=C(C=CC=C4)C=C3)C=C1~    8.524
22337 CC1=CC=C2SC3=CC=C4C=CC=CC4=C3NC2=C1~    8.524
22338 CC1=CC2=C(NC3=C(S2)C=CC4=C3C=CC=C4)C=C1~    8.524
22339 COC1=CC(=C2N=CC=CC2=C1)NC3=NC4=CC=CC=C4S3~   15.259
22340 COC1=C(C=CC(=C1)[N+]([O-])=O)N=NC2=C(O)C3=C(C=CC=C3C(=C2)S(O)(=O)=O)S(O)(=O)=O~   26.119
22341 NC(=O)C1=CC2=C(C=CC=C2)C(=C1O)N=NC3=CC=CC=C3~   13.112
22342 [O-][N+](=O)C1=CC=C(NN=CC2=C3C=CC=CC3=CC=C2)C=C1~    9.801
22343 CC1=CC2=C(C=C1)N=C(C=CC3=CC=CC(=C3)[N+]([O-])=O)C(=N2)O~   14.529
22344 CC1=CC(=C(C=C1)N=NC2=C(O)C=CC3=C2C=CC=C3)[N+]([O-])=O~   12.187
22345 [O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)NN=CC2=C3C=CC=CC3=CC=C2~   10.455
22346 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C3C=C(C=CC3=C2[N+]([O-])=O)[N+]([O-])=O~   11.068
22347 OC(=O)C=CC(=O)NC1=CC(=C(C=C1)C2=CN=CS2)NC(=O)C=CC(O)=O~   26.428
22348 CSC(NC#N)=NC1=C2C=CC=CC2=C3C=CC=CC3=C1~    9.910
22349 N(C1=CC=CC=C1)C2=C3C=NN(C4=CC=CC=C4)C3=NC=N2~   15.860
22350 OC1=CC(=C(O)C=C1)N(C2=C(O)C=CC(=C2)O)C3=C4N=CNC4=NC=N3~   28.631
22351 CN(NC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)C2=C3C=CC=CC3=CC=C2~   11.498
22352 CN(NC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)C2=CC3=C(C=CC=C3)C=C2~   11.498
22354 CC1=CC=C(C=C1)[CH](C#N)[CH](C#N)C2=CC=CC=C2~    9.917
22355 CC(C)(C1=CC=C(C=C1)C#N)C2=CC=C(C=C2)C#N~    7.102
22356 NC(=N)C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=CC=C3~    9.967
22357 NC(=N)C1=CC(=CC=C1)C2=CC=C(O2)C3=CC=CC=C3~    9.967
22358 O=C(NC1=CC=CC=C1)C2=CC=CN2C3=CC=CC=C3~   14.126
22359 CC(=O)NC1=C(N=C2C=CC=CC2=C1)C3=CC=CC=C3~   13.218
22360 CC1=CC2=C(C=C1)N=C(C=CC3=CC=CC=C3)C(=N2)O~   12.124
22361 O=C(NC1=CC=CC=C1)NC2=C3C=CC=CC3=CC=C2~   10.967
22363 OC1=C(C=NNC2=CC=CC=C2)C3=C(C=CC=C3)C=C1~   11.379
22365 NC(=O)[CH]1C=CC2=C(C=CC=C2)N1C(=O)C3=CC=CC=C3~   10.493
22366 CCOC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=CN=C3~   12.228
22367 COC1=C(C=CC=C1)N=NC2=C(O)C=CC3=C2C=CC=C3~   11.054
22369 O[CH](CC1=NC2=C(C=CC=C2)C=C1)C3=C(C=CC=C3)[N+]([O-])=O~   13.932
22372 CN(C(C)=O)C1=CC=C(N)C2=C1C(=O)C3=CC=CC=C3C2=O~   16.578
22373 [O-][N+](=O)C1=CC=C(NCOC2=CC3=C(C=CC=C3)C=C2)C=C1~    9.857
22375 CC1=CC=C(C=C1)N=NC2=C3C=CC(=CC3=CC=C2O)S(O)(=O)=O~   16.114
22376 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C3C=CC=CC3=C2[N+]([O-])=O~    8.664
22377 NC1=C2C=CC(=CC2=CC=C1)S(=O)(=O)NC3=CC=C(C=C3)C(O)=O~   15.790
22378 NC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C=C(C=C3)S(O)(=O)=O~   19.706
22380 CC1=C(O)C=CC(=C1)N=NC2=C3C=CC=CC3=C(C=C2)S(O)(=O)=O~   16.114
22382 COC1=CC=C(OC2=C(OC)C=C(C3=NC=CC=C23)[N+]([O-])=O)C=C1~   12.682
22383 COC(=O)C(NC(=O)C1=CC=CC=C1)=CC2=CC=C(C=C2)[N+]([O-])=O~   13.347
22385 NC1=CC=CC(=C1)C(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(O)(=O)=O~   23.688
22386 NC1=CC=C(C=C1)C(=O)NC2=CC3=C(O)C=C(C=C3C=C2)S(O)(=O)=O~   23.688
22387 NC1=CC=C(C=C1)C(=O)NC2=C3C(=CC=CC3=CC(=C2)S(O)(=O)=O)O~   23.688
22388 NC1=C(C=C2C=C(NC(=O)C3=CC=CC=C3)C=CC2=C1O)S(O)(=O)=O~   23.688
22389 NC1=CC=C(C=C1)C(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(O)(=O)=O~   23.688
22390 NC1=CC=C(C=C1)C(=O)NC2=C3C(=CC=CC3=C(C=C2)S(O)(=O)=O)O~   23.688
22391 COC1=C(C=CC=C1)N=NC2=C3C=CC(=CC3=CC=C2O)S(O)(=O)=O~   17.384
22392 COC1=C(C=CC=C1)N=NC2=C(O)C3=CC=CC(=C3C=C2)S(O)(=O)=O~   17.384
22393 COC1=C(C=CC=C1)N=NC2=CC(=C3C=CC=CC3=C2O)S(O)(=O)=O~   17.384
22395 NC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C(C=C3C=C2)S(O)(=O)=O)S(O)(=O)=O~   26.036
22398 CC1=CC=C(C=C1)N=NC2=C(O)C=CC3=CC(=CC(=C23)S(O)(=O)=O)S(O)(=O)=O~   22.444
22400 COC1=C(C=CC=C1)N=NC2=C(O)C(=CC3=C2C=CC(=C3)S(O)(=O)=O)S(O)(=O)=O~   23.714
22401 S=C(NC1=CC=CC=C1)NC2=CC3=C(C=CC=C3)C=C2~    8.329
22402 NN=C1[CH]2C(=NN=C2C3=C1C=CC=C3)CC4=CC=CC=C4~    8.740
22404 O=C(NNC(=O)C1=CC=NC=C1)NC2=C3C=CC=CC3=CC=C2~   19.161
22405 OC1=C(C=CC=C1)C=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3~   12.070
22406 O=C(NN=CC1=CC2=C(OCO2)C=C1)NN=CC3=CC4=C(OCO4)C=C3~   16.638
22407 CC(=O)NC1=CC2=C(C=C1[N+]([O-])=O)C3=C(C2)C=C(NC(C)=O)C(=C3)[N+]([O-])=O~   14.587
22408 NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NCN3C(=O)NC(=O)C(=O)C3=O)C=C2~   23.754
22409 CC(=O)NC1=CC(=C(C=C1)C(=O)C2=C(C=C(NC(C)=O)C=C2)[N+]([O-])=O)[N+]([O-])=O~   19.201
22410 CC1=C(CSC2=C3N=CNC3=NC=N2)C4=C(C=CC=C4)C=C1~   11.708
22411 CC1=C2C=CC=CC2=C(CSC3=C4N=CNC4=NC=N3)C=C1~   11.708
22413 CCC(=O)C1=CC2=C3C=CC=CC3=CC=C2C=C1~    6.907
22415 O=C(C=CC1=CC=CC=C1)C=CC2=CC=CC=C2~    7.559
22417 CCC(=O)C1=C2C=CC=CC2=C3C=CC=CC3=C1~    6.907
22418 O=C(C=CC=CC1=CC=CC=C1)C2=CC=CC=C2~    6.535
22419 CC1=C2SC3=CC=CC=C3C2=CC4=C1C(=O)CCC4~    7.848
22421 CCOC(=O)C1=CC2=C3C=CC=CC3=CC=C2C=C1~    6.358
22422 COC1=CC2=C3C=CC=CC3=C(C=C2C=C1)C(C)=O~    8.257
22423 OC1=C([CH](CC1=O)C2=CC=CC=C2)C3=CC=CC=C3~    7.093
22424 OC(=O)[CH]1CC2C3=C(C=CC=C3)C1C4=C2C=CC=C4~    8.951
22425 O[C]1(CC(=O)C=C1C2=CC=CC=C2)C3=CC=CC=C3~   11.622
22426 O=C([CH]1CCC2=C(C=CC=C2)C1=O)C3=CC=CC=C3~    9.074
22427 O=C(CC(=O)C1=CC=CC=C1)C=CC2=CC=CC=C2~    9.807
22428 OC(=O)CC(=CC1=CC=CC=C1)C(=O)C2=CC=CC=C2~   11.569
22429 OC1=CC=CC2=C1C=CC3=C2OC(=O)C4=C3CCCC4~    9.870
22430 COC1=C(C(=O)O[CH]1C2=CC=CC=C2)C3=CC=CC=C3~    7.790
22435 CC1=C(CC2=CC=CC=C2)C(=O)OC3=C1C=CC(=C3)O~    9.845
22436 OC1=CC(=CC=C1)C=CC(=O)C=CC2=CC=CC(=C2)O~   15.524
22438 O=C(OCC1=CC=CC=C1)SC(=O)C=CC2=CC=CC=C2~    7.476
22439 CCOC1=CC=C(C=C1)C2=CC(=CC3=CC=CS3)C(=O)O2~    7.580
22440 COC1=CC=C(C=C1)C(=O)C=CC2=CC3=C(OCO3)C=C2~   10.799
22442 OC(=O)C[CH](C1C2=C(C=CC=C2)C3=CC=CC=C13)C(O)=O~   13.788
22444 COC(=O)C(=O)[CH]1CCC2=CC=C3C=CC=CC3=C2C1=O~   11.232
22445 CC(=O)OC1=CC=C(C=C1)C(=O)C2=CC=C(OC(C)=O)C=C2~    9.551
22446 CC(=O)OC1=CC=C(C=C1)C(=O)C2=C(OC(C)=O)C=CC=C2~    9.551
22447 COC1=C(O)C=CC(=C1)C=C2OC3=C(OC)C=CC=C3C2=O~   13.031
22450 C(CC1=C2C=CC=CC2=NC=C1)C3=CC=CC=C3~    7.089
22451 C(CC1=C2C=CC=CC2=CC=C1)C3=NC=CC=C3~    7.089
22452 C(CC1=C2C=CC=CC2=CC=C1)C3=CC=NC=C3~    7.089
22453 C1C=CCC2=C1C=CC=C2N=CC3=CC=CC=C3~    4.087
22455 CC1=CC=C(NC2=C3C=CC=CC3=CC=C2)C=C1~    6.947
22457 COC1=CC=C(NC2=CC3=C(C=CC=C3)C=C2)C=C1~    8.217
22458 C[C](O)(C1=CC=CC=C1)C2=C3C=CC=CC3=CC=N2~   11.526
22460 O=C(C[N+]1=CC2=CC=CC=C2C=C1)C3=CC=CC=C3~   14.708
22463 O=C(C[N+]1=C2C=CC=CC2=CC=C1)C3=CC=CC=C3~   14.708
22464 N[CH](C1=CC=CC=C1)C2=C3C=CC=CC3=CC=C2O~   12.299
22465 COC1=CC=C(NC2=C3C=CC=CC3=CC=C2)C=C1~    8.217
22466 O=C1N(CCC1=CC2=CC=CC=C2)C3=CC=CC=C3~    8.686
22467 OC1=C(CNC2=CC=CC=C2)C3=CC=CC=C3C=C1~   11.465
22468 OC(=O)C[CH]([CH](C#N)C1=CC=CC=C1)C2=CC=CC=C2~   11.583
22469 CCN(C(C)=O)C1=CC2=C(C=C1)C3=CC=CC=C3C2=O~   10.676
22471 COC1=CC=C(C=C1)C=C(C#N)C2=CC=C(OC)C=C2~    9.015
22472 COC1=C2C=CC=CC2=C3C=CC=CC3=C1NC(C)=O~   11.458
22473 OC1=C2C=CC=CC2=CC=C1C(=O)C[N+]3=CC=CC=C3~   15.592
22474 CN1[CH]([CH]1C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3~    9.943
22475 CC(=O)NC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2~   12.577
22476 OC1=CC2=CC=CC(=C2C=C1)CCN3C=CC=CC3=O~   13.567
22477 CN1C=C(CC2=C(C=CC=C2)C(O)=O)C3=CC=CC=C13~   10.470
22478 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=CC=C3)C=C2~    7.600
22479 CC(=O)N1C(=O)C[CH](SC2=C1C=CC=C2)C3=CC=CC=C3~    9.513
22481 OC(=O)CCC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2~   14.724
22482 CCOC(=O)CNC1=CC2=C(C=C1)C3=CC=CC=C3C2=O~   10.480
22483 CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3[CH]2OC(C)=O~   12.341
22484 COC1=CC=C(C=C1)[CH]2CC(=O)C(=O)N2C3=CC=CC=C3~   11.975
22485 COC1=CC=C(C=C1)C(=O)OC[CH](C#N)C2=CC=CC=C2~   10.040
22489 CC1=CC=C(NC2=C3C(=CC=C2)C=CC=C3S(O)(=O)=O)C=C1~   13.277
22490 OC(=O)[CH](CSC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2~   15.793
22491 OC(=O)[CH](CC(=O)C1=CC=CC=C1)[CH](C2=CC=CC=C2)[N+]([O-])=O~   14.227
22492 OC(=O)[CH](CC1=CC2=C(OCO2)C=C1)NC(=O)C3=CC=CC=C3~   16.046
22493 COC1=C2N(C)C3=CC=CC=C3C(=O)C2=C(OC)C4=C1OCO4~   12.845
22494 COC1=C(OC)C2=C(N(C)C3=C(C=CC=C3)C2=O)C4=C1OCO4~   12.845
22495 CC1=CC=C(C=C1)S(=O)(=O)OCCN2C(=O)C3=C(C=CC=C3)C2=O~   12.444
22497 C[C](O)(C(=O)COC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C2=CC=CC=C2~   10.963
22499 CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=CC3=CC(=C2)S(O)(=O)=O)S(O)(=O)=O)N~   23.607
22500 CC1=C(C=CC=C1)N=NC2=C(N)C=CC3=C2C=CC=C3~    9.252
22501 CC1=CC(=C2C=C(NC(=O)C3=CC=CC=C3)C=CC2=N1)N~   16.215
22502 CC(=O)NC1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)NC(C)=O~   15.854
22503 NC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C3C=CC=CC3=CC=C2~   11.502
22504 COC1=CC=C(C=C1)C2=C(N=C(O)N=N2)C3=CC=C(OC)C=C3~   14.479
22507 COC1=C(C=CC=C1)N=NC2=C(C=C3C=C(C=C(N)C3=C2O)S(O)(=O)=O)S(O)(=O)=O~   27.167
22509 CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NCC4=CC=CO4~   16.311
22511 CC1=CC=C(C=C1)C2=CCCC3=C2C=CC=C3~    3.983
22512 C[N+]1=CC=C(C=CC2=C3C=CC=CC3=NC=C2)C=C1~   15.356
22513 C[N+]1=C(C=CC=C1)C=CC2=C3C=CC=CC3=NC=C2~   15.356
22514 NC1=CC=C(CCC2=NC3=C(C=CC=C3)C=C2)C=C1~   10.541
22517 CN(C)C1=C(N=C2C=CC=CC2=C1)C3=CC=CC=C3~    9.076
22521 NNC(=O)CCC1=C2C=CC=CC2=C3C=CC=CC3=C1~   13.321
22524 O=C(CC[N+]1=CC=NC=C1)C2=CC3=C(C=CC=C3)C=C2~   14.971
22527 O=C1NC(=O)[C](CCC2=CC=CC=C2)(N1)C3=CC=CC=C3~   10.745
22528 O=C1NC(=O)C(CC2=CC=CC=C2)(CC3=CC=CC=C3)N1~   10.745
22529 COC1=CC=C(C=C1)C(=O)C[N+]2=C3C=CC=CC3=NC=C2~   16.320
22530 CC(=CC(=O)NC1=CC=CC=C1)C(=O)NC2=CC=CC=C2~   12.371
22532 CC(=O)C1=CC=C(NC(=O)NC2=CC=C(C=C2)C(C)=O)C=C1~   15.434
22533 CCOC(=O)[CH](N=NC1=CC=CC=C1)C(=O)C2=CC=CC=C2~    9.308
22534 COC1=CC=C(C=C1)[CH]2NC(=O)N=C2C3=CC=C(OC)C=C3~   11.287
22535 COC(=O)C(NC(=O)C1=CC=CC=C1)=CC2=CC=C(N)C=C2~   14.395
22536 COC1=CC=C(C[C]2(NC(=O)NC2=O)C3=CC=CC=C3)C=C1~   12.095
22537 COC(=O)NC1=CC=C2C(=C1)CC3=C2C=CC(=C3)NC(=O)OC~   11.361
22542 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=CC=CC2=C(C=CC=C2)[N+]([O-])=O~   15.523
22543 OC(=O)CCC(C=NNC1=CC=C(C=C1)[N+]([O-])=O)=NNC2=CC=C(C=C2)[N+]([O-])=O~   19.020
22544 O=C(C1=CC=CC=C1)C2=CC3=C(CCCC3)C=C2~    5.735
22547 O=C1C[CH]([CH](C1)C2=CC=CC=C2)C3=CC=CC=C3~    6.600
22548 COC1=C(C=CC=C1)C2=CCCC3=C2C=CC=C3~    5.253
22549 COC1=CC2=C(CCC=C2C3=CC=CC=C3)C=C1~    5.253
22550 OC(=O)CCC1=CC2=C(C=C1)C3=C(CC2)C=CC=C3~    8.616
22551 O=C(OCCC1=CC=CC=C1)C=CC2=CC=CC=C2~    6.353
22552 COC1=CC2=C(C=C1)C=C(C=C2)C3=CC(=O)CCC3~    8.208
22553 OC(=O)CCCC1=CC2=C(C=C1)C3=CC=CC=C3C2~    8.616
22554 CC(=O)[CH](CC1=CC=CC=C1)C(=O)C2=CC=CC=C2~    9.151
22555 OC(=O)C(CC=C)(C1=CC=CC=C1)C2=CC=CC=C2~    8.206
22556 CCOC(=O)C1=CC=C(C=CC2=CC=CC=C2)C=C1~    5.975
22557 CC1=CC=CC(=C1OC(=O)C=CC2=CC=CC=C2)C~    5.730
22558 CC(=O)C1=CC=C(CC2=CC=C(C=C2)C(C)=O)C=C1~    8.799
22560 O=C(CCCC(=O)C1=CC=CC=C1)C2=CC=CC=C2~    8.638
22561 CC(=O)O[CH]1CC1(C2=CC=CC=C2)C3=CC=CC=C3~    6.052
22562 COC(=O)[CH](CC(=O)C1=CC=CC=C1)C2=CC=CC=C2~    8.602
22563 COC1=C2O[CH](CC(=O)C2=CC(=C1)C)C3=CC=CC=C3~    8.870
22564 CC(=O)C1=CC(=C(OC(=O)C2=CC=CC=C2)C(=C1)C)C~    7.545
22565 COC1=C(OC)C=C(C=CC(=O)C2=CC=CC=C2)C=C1~    9.091
22566 CC(=O)OCCOC1C2=C(C=CC=C2)C3=CC=CC=C13~    8.208
22567 CCOC(=O)[CH]1OC1(C2=CC=CC=C2)C3=CC=CC=C3~    7.757
22568 COC1=C(C(=O)C=CC2=CC=CC=C2)C(=CC=C1)OC~    9.091
22570 COC(C1=CC=CC=C1)=C(OC(C)=O)C2=CC=CC=C2~    6.664
22571 COC1=CC=C(C=CC(=O)OCC2=CC=CC=C2)C=C1~    7.703
22572 COC(=O)[C]1(C)CCC2=CC=C3C=CC=CC3=C2C1=O~    8.708
22573 OC(=O)C[CH]([CH](C(O)=O)C1=CC=CC=C1)C2=CC=CC=C2~   13.330
22574 CC(=O)O[CH](CC1=CC=CC=C1)C2=CC3=C(OCO3)C=C2~    8.754
22575 COC1=C(OCC2=CC=CC=C2)C=CC(=C1)C=CC(O)=O~   11.438
22576 COC1=C(OC)C=C(C=C1)C(=CC2=CC=CC=C2)C(O)=O~   11.693
22580 COC1=CC=C(C=C1)[CH]2CC(=O)C3=C(O2)C=CC(=C3)OC~   10.141
22582 COC1=C(OC)C=C(C=C1)[CH]2CC(=O)C3=C(O2)C=CC=C3~   10.141
22583 COC1=CC2=C(O[CH](CC2=O)C3=C(OC)C=CC=C3)C=C1~   10.141
22584 CCOC1=C(C=CC=C1)C(=O)OCC2=CC3=C(OCO3)C=C2~    9.592
22585 CCOC(=O)C1=CC2=C(C=CC=C2)C=C(C(=O)OCC)C1=O~   12.305
22588 COC1=C(OC)C=C(C=CC(=O)C2=C(O)C=C(C)OC2=O)C=C1~   14.310
22589 CCOC(=O)OC1=C(OC)C=C(C=C1)C(=O)OC2=CC=CC=C2~    7.368
22590 COC1=CC(=CC=C1O)C(=O)C(=O)C2=CC=C(OC)C(=C2)OC~   15.777
22591 COC1=CC=C(C=C1)C(=O)OCOC(=O)C2=CC=C(OC)C=C2~   10.243
22593 C[CH](C1=CC=CC=C1)[C](C)(C#N)C2=CC=CC=C2~    6.332
22594 CCN(CC#CC1=CC=CC=C1)C2=CC=CC=C2~    5.914
22595 C(C[N+]1=CC=CC2=C1C=CC=C2)C3=CC=CC=C3~   11.804
22597 C(C[N+]1=CC2=C(C=CC=C2)C=C1)C3=CC=CC=C3~   11.804
22598 NC[CH]1CC2C3=C(C=CC=C3)C1C4=C2C=CC=C4~    7.686
22600 O=CNC[CH]1CC1(C2=CC=CC=C2)C3=CC=CC=C3~    9.646
22601 CCN(C(C)=O)C1=CC2=C(C=C1)C3=CC=CC=C3C2~    8.283
22603 CCN(CC)C1=CC2=C(C=C1)C3=CC=CC=C3C2=O~    7.721
22604 CCCCNC1=CC2=C(C=C1)C3=CC=CC=C3C2=O~    8.910
22605 CC1(C)[CH](N(C2=CC=CC=C2)C1=O)C3=CC=CC=C3~    8.101
22606 C[CH](O)CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2~   10.770
22608 CN(C)C1=CC=C(C=CC(=O)C2=CC=CC=C2)C=C1~    8.434
22609 CN(C)C1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2~    8.434
22610 CN(C)C1=CC=C(C=C1)[CH](O)C2=CC3=CC=CC=C3S2~   10.830
22611 CN1CCC2=CC=CC3=C2[CH]1CC4=CC=C(O)C(=C34)O~   15.351
22613 CC1=CC(=C(C(=C1)C)C(=O)CC(=O)C2=CC=CN=C2)C~   11.638
22615 CCON=C(C(=O)CC1=CC=CC=C1)C2=CC=CC=C2~    6.783
22616 CC1=[N+](CC(=O)C2=CC=C(C)C=C2)C3=C(O1)C=CC=C3~   14.623
22618 COC1=CC(=CC=C1O)C=CC2=[N+](C)C3=C(S2)C=CC=C3~   17.947
22619 CCOC1=CC=C(C=C1OCC)C2=NC3=CC=CC=C3S2~    9.752
22620 O=C(NCCCOC(=O)C1=CC=CC=C1)C2=CC=CC=C2~   11.394
22621 CCOC(=O)N[CH]1C2=C(OC3=C1C=CC=C3C)C=CC=C2~   10.084
22622 CCCOC(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2~   10.004
22623 COC1=CC=C(C=C1)[CH](C#N)C2=CC(=C(OC)C=C2)OC~   10.385
22624 C[CH]([CH](CC(=O)C1=CC=CC=C1)C2=CC=CC=C2)[N+]([O-])=O~    8.975
22625 COC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC=CC=C2~   13.190
22627 CC1=CC=C(C=C1)S(=O)(=O)ON=C2CCCC3=C2C=CC=C3~    6.996
22628 CC(C)(C)C1=CC=C(OC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1~    6.883
22629 CCOC(=O)[CH](CC1=CC=CC=N1)OC(=O)C2=CC=CC=C2~    9.963
22630 C[C](NC(=O)OCC1=CC=CC=C1)(C(O)=O)C2=CC=CC=C2~   12.951
22633 CC(C)=CC(=O)C1=C(O)C(=O)O[CH]1C2=CC=C(NC(C)=O)C=C2~   14.520
22637 COC1=CC(=C2N=CC=CC2=C1)NCCC3=CC=CC=N3~   14.354
22638 CN(C)C1=NC(=O)C(N1)(C2=CC=CC=C2)C3=CC=CC=C3~   13.461
22639 OC1=C(CN(CCC#N)CCC#N)C2=CC=CC=C2C=C1~   17.042
22640 COC1=CC=C(C=CC(C)=NNC(=O)C2=CC=NC=C2)C=C1~   13.446
22641 CN(C)C1=CC=C(C=C1)C(C=CC2=CC=C(C=C2)[N+]([O-])=O)=NO~   11.879
22642 CN(C)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C=C1)[N+]([O-])=O~   15.983
22643 CC(C)C1=CC=C(C=C1)C=NNC2=NC3=CC=CC=C3S2~   10.256
22644 [O-][N+](=O)C1=CC=C(CSC2=C3N=CN([CH]4CCCCO4)C3=NC=N2)C=C1~   14.633
22645 CCCCCC(=CC1=CC=CC=C1)C=C(C#N)C#N~    7.074
22646 CN(C)CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2~    9.883
22647 C1CN(CCN1)C2C3=C(C=CC=C3)C4=CC=CC=C24~   10.959
22648 CN(C)CC1=C(NC2=C1C=CC=C2)C3=CC=CC=C3~   10.429
22649 NC1=CC=C2C(=C1)[CH](N3CCOCC3)C4=C2C=CC=C4~   12.697
22650 CCN1C(=[N+](C(=O)C2=C1C=CC=C2)C3=CC=CC=C3)C~   16.622
22651 CCC(=CC1=CC=C(NC(C)=O)C=C1)C2=CC=NC=C2~   12.413
22652 CC(C)=NOC(=O)N(C1=CC=CC=C1)C2=CC(=CC=C2)C~    6.445
22653 CC(=O)NC1=CC=C(CC2=CC=C(NC(C)=O)C=C2)C=C1~   12.001
22656 CC1=CC=C(NC(=O)CC(=O)NC2=CC=C(C)C=C2)C=C1~   12.001
22657 O=C(CCCC(=O)NC1=CC=CC=C1)NC2=CC=CC=C2~   11.842
22658 COC1=C(O)C=CC(=C1)C=CC(C)=NNC2=CC=CC=C2~   11.611
22659 CC(=O)NC1=CC=C(C=C1)C(O)C2=CC=C(NC(C)=O)C=C2~   16.438
22660 CC(C)C1=CC(=C(C)C=C1O)N=CC2=CC=C(C=C2)[N+]([O-])=O~   10.062
22661 CC(C)C1=CC(=C(C)C=C1O)N=CC2=CC=CC(=C2)[N+]([O-])=O~   10.062
22662 CC(C)C1=CC(=C(C)C=C1O)N=CC2=C(C=CC=C2)[N+]([O-])=O~   10.062
22663 CC1=CC(C)(C)NC(=S)N1C2=C(C3=C(C=CC=C3)C=C2)S(O)(=O)=O~   12.347
22664 CC1=CC(C)(C)NC(=S)N1C2=C3C=CC=C(C3=CC=C2)S(O)(=O)=O~   12.347
22665 CC1=CC(C)(C)NC(=S)N1C2=C3C=CC(=CC3=CC=C2)S(O)(=O)=O~   12.347
22666 CCOC(=O)[CH]1C[CH](C(=O)OCC)C2=C1N=C3C=CC=CC3=N2~   11.693
22667 COC1=CC=C(NC(=O)CC(=O)NC2=CC=C(OC)C=C2)C=C1~   14.542
22668 COC1=CC=C(C=C1)C(=O)NCNC(=O)C2=CC=C(OC)C=C2~   12.249
22669 CC(C)C1=CC(=C(C)C=C1O)N=CC2=C(O)C=CC(=C2)[N+]([O-])=O~   14.045
22670 CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NC(C)=O)C=C2~   15.162
22672 CC1=CC(C)(C)NC(=S)N1C2=CC=C(C3=CC=CC(=C23)S(O)(=O)=O)S(O)(=O)=O~   18.678
22673 CCN(CC)C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2~    9.094
22674 CC1=CC(C)(C)NC(=S)N1C2=C3C=CC=CC3=CC=C2~    6.016
22676 O=C(NN=CCC1=CC=CC=C1)NN=CCC2=CC=CC=C2~   10.523
22677 CC1=CC=C(C=C1)C=NNC(=O)NN=CC2=CC=C(C)C=C2~   10.684
22678 C1CC[CH](OC1)N2C=NC3=C(SCC4=CC=CC=C4)N=CN=C23~   12.229
22680 NC(=O)NN=C(CCCC1=CC=C(C=C1)[N+]([O-])=O)C2=CC=CC=C2~   13.231
22681 COC1=CC=C(C=C1)C=NNC(=O)NN=CC2=CC=C(OC)C=C2~   13.225
22682 COC1=C(C=CC=C1)C=NNC(=O)NN=CC2=C(OC)C=CC=C2~   13.225
22683 CCC(=O)OCCN1C2=C(C=C(C)C(=C2)C)N=C3C(=O)NC(=O)N=C13~   12.567
22686 COC1=CC=CC(=C1O)C=NNC(=O)NN=CC2=C(O)C(=CC=C2)OC~   21.190
22687 COC1=C(C=C(C=C1)C=NNC(=O)NN=CC2=CC(=C(OC)C=C2)S(O)(=O)=O)S(O)(=O)=O~   25.886
22688 CC(=NNC(=S)NN=C(C)C1=CC=CC=C1)C2=CC=CC=C2~    7.886
22689 CC1=CC=C(C=C1)C=NNC(=S)NN=CC2=CC=C(C)C=C2~    8.047
22691 CC1=NC2=C(C=NN2C3=CC=C(C=C3)[N+]([O-])=O)C(=N1)N4CCCCC4~   16.295
22693 NC1=NC(=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=N1)SCC4=C(C=CC=C4)[N+]([O-])=O~   21.845
22694 OC[CH]1O[CH]([CH](O)[CH]1O)N2C=NC3=C2N=CN(CCSC4=C5N=CNC5=NC=N4)C3=S~   27.196
22697 O=C(CCC1=CC=CC=C1)CCC2=CC=CC=C2~    6.245
22698 CCC(=O)C1=CC=CC(=C1CC)C2=CC=CC=C2~    5.833
22703 CC(C)(C(=O)CC1=CC=CC=C1)C2=CC=CC=C2~    6.245
22704 O=C(CC1=CC=CC=C1)OCCCC2=CC=CC=C2~    5.697
22705 CC(=O)OC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2~    4.991
22707 C[C](CC(O)=O)(CC1=CC=CC=C1)C2=CC=CC=C2~    8.078
22709 CCC[CH](C(O)=O)C1=CC=C(C=C1)C2=CC=CC=C2~    8.100
22710 CC1=CC=CC(=C1)C(=O)OCCCC2=CC=CC=C2~    5.264
22711 CC(C)C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2~    5.264
22712 COC1=CC=C(C=C1)[CH](CC2=CC=CC=C2)C(C)=O~    7.595
22713 CC1=CC(=C([CH](C(O)=O)C2=CC=CC=C2)C(=C1)C)C~    8.319
22715 CCOC(=O)C(C)(C1=CC=CC=C1)C2=CC=CC=C2~    5.697
22719 CCOC(=O)[CH](O)C(C1=CC=CC=C1)C2=CC=CC=C2~    6.503
22720 CCC[C](O)(C(O)=O)C1=CC=C(C=C1)C2=CC=CC=C2~    8.907
22721 CCOC(=O)CC(O)(C1=CC=CC=C1)C2=CC=CC=C2~   10.133
22722 COC(=O)[CH](CC1=C(OC)C=CC=C1)C2=CC=CC=C2~    7.047
22723 COC(=O)[CH](CC1=CC=C(OC)C=C1)C2=CC=CC=C2~    7.047
22724 CCOC(=O)C1=C(CC2=CC=C(OC)C=C2)C=CC=C1~    6.614
22726 C[CH](COC1=CC=C(C=C1)C2=CC=CC=C2)OC(C)=O~    6.987
22729 CC(C)(C)C1=CC=C(OC(=O)C2=C(O)C=CC=C2)C=C1~    5.363
22730 CC1=CC(=O)C(=CC2=CC3=C(OCO3)C=C2)C(C)(C)C1~    8.670
22731 CCC(=O)C1=CC(=C(OCC2=CC=CC=C2)C=C1)OC~    8.434
22732 CCCC(=O)OC1=CC=C(OCC2=CC=CC=C2)C=C1~    6.263
22737 COC1=CC=C(C[CH](C(O)=O)C2=CC=C(OC)C=C2)C=C1~   10.780
22738 CC(CCC(O)=O)(C1=CC=C(O)C=C1)C2=CC=C(O)C=C2~   16.044
22739 CCOC(=O)[CH](O)C1=CC=C(OCC2=CC=CC=C2)C=C1~    7.854
22741 COC1=C(OC)C(=C(C=C1)C(=O)C2=CC=C(C)C=C2)OC~    9.353
22743 COC1=C(OC)C=C(CC(=O)OCC2=CC=CC=C2)C=C1~    8.398
22744 COC1=C(OC)C=C(C=C1)C(=O)C2=CC=C(OC)C(=C2)OC~   10.623
22745 COC1=CC=C(C=C1)C(=O)C2=C(OC)C(=C(OC)C=C2)OC~   10.623
22747 CC1(C)O[CH]2O[CH]([CH]3COC(=O)O3)[CH](OC(=O)C4=CC=CC=C4)[CH]2O1~   13.103
22748 CCN(CC)C1=CC2=C(C=C1)C3=CC=CC=C3C2~    5.329
22749 CCCCNC1=CC2=C(C=C1)C3=CC=CC=C3C2~    6.517
22751 C1CN[CH]([CH](C1)C2=CC=CC=C2)C3=CC=CC=C3~    6.951
22752 N[CH](CC1=CC=CC=C1)C2=CC3=C(CCC3)C=C2~    7.331
22753 CC1=CC2=C(C=C1)C(C)(C)C3=C(N2)C=CC(=C3)C~    6.040
22754 CN(CC=CC1=CC=CC=C1)CC2=CC=CC=C2~    6.762
22758 CCCCNC1=CC2=C(C=C1)C3=CC=CC=C3[CH]2O~   10.955
22759 CN(CCC(=O)C1=CC=CC=C1)CC2=CC=CC=C2~    9.283
22763 CCN(CC)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2~    7.264
22765 CC(C)C1=CC(=C(C)C=C1O)N=CC2=CC=CC=C2~    7.658
22766 CN(C)C[CH](C1=CC=CC=C1)C(=O)C2=CC=CC=C2~    9.283
22767 CC(=O)NC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2~    9.014
22769 CCC1=CC=C(C[CH]2[CH](O)CC3=C2C=CC=C3)N=C1~   10.539
22771 C[CH](N(C)CC1=CC=CC=C1)C(=O)C2=CC=CC=C2~    7.983
22772 CC(C)C1=C([CH]2NC3=CC=CC=C3S2)C(=CC(=C1)O)C~    9.467
22774 COC1=CC2=C(C[CH](NCC3=CC=CC=C3)[CH]2O)C=C1~   12.821
22776 CCC(=CC1=C(OC)C(=CC=C1)OC)C2=CC=NC=C2~    8.928
22777 NCCCC(C(O)=O)(C1=CC=CC=C1)C2=CC=CC=C2~   12.066
22780 CO[C](C)(C(C)=NO)C1=CC=C(C=C1)C2=CC=CC=C2~    9.124
22781 CC(C)C1=CC(=C(C)C=C1O)N=CC2=C(O)C=CC=C2~   11.640
22783 COCCN[CH](C(=O)C1=CC=CC=C1)C2=CC=CC=C2~   10.256
22784 CN1CCO[C](O)([CH]1C2=CC=CC=C2)C3=CC=CC=C3~   13.225
22785 C[CH](O)CN[CH](C(=O)C1=CC=CC=C1)C2=CC=CC=C2~   12.638
22786 CCOC(=O)N[CH](CC1=CC=CC=C1)C2=CC=CC=C2~    9.001
22787 CCOC(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2~    8.783
22788 OC1=CC2=C(C=CC=C2)C=C1C(=O)NC3CCCCC3~    9.947
22789 CN(C)C(=O)[CH]([CH](O)C1=CC=CC=C1)C2=CC=CC=C2~   13.767
22790 CC1(N)COC(OC1)(C2=CC=CC=C2)C3=CC=CC=C3~   10.580
22792 CC(C)C1=C(OC(=O)NC2=CC=CC=C2)C=C(C)C=C1~    7.762
22793 COC1=CC2=C(C[CH](CC2)C3=CC=CC(=O)N3C)C=C1~    9.796
22794 CCOC(=O)[CH](CCC1=CC=CC=N1)C2=CC=CC=C2~    8.456
22796 COC(=O)CCC1=CC=C(NCC2=CC=CC=C2)C=C1~    8.928
22797 CN(C)[C](CC1=CC=CC=C1)(C(O)=O)C2=CC=CC=C2~   10.329
22798 C[CH](CC1=CC=CC=C1)NCC(=O)C2=CC(=C(O)C=C2)O~   16.167
22799 OC1=C(O)C=C(C=C1)C(=O)CNCCCC2=CC=CC=C2~   16.167
22800 CN1CC[C]23[CH]4CCC(=O)[CH]2OC5=C(O)C=CC(=C35)C[CH]14~   13.951
22802 CCOC(=O)[C]1(CCCCC1=O)CC2=C(C=CC=C2)C#N~    9.777
22803 CC(C)C1=CC(=C(C)C=C1O)N=CC2=C(O)C=C(O)C=C2~   15.623
22804 OCCN[CH](CC1=CC=CC=C1)C2=CC3=C(OCO3)C=C2~   14.090
22806 COC1=C2CN3CC[C]4([CH](O)C=CC[CH]34)C2=CC5=C1OCO5~   14.595
22807 CN1CC[C]23[CH]4OC5=C(O)C=CC(=C25)C[CH]1[C]3(O)CCC4=O~   18.388
22810 COC(=O)CCC1=CC=C(NS(=O)(=O)C2=CC=C(C)C=C2)C=C1~    9.047
22811 CCN(CCOS(O)(=O)=O)C1C2=C(C=CC=C2)C3=CC=CC=C13~   13.793
22812 CCCC1=C(C=C2OCOC2=C1)N(C)S(=O)(=O)C3=CC=CC=C3~    7.967
22813 COC1=C2OC(=O)C(=CC2=CC(=C1)CN3CCCCC3)C(O)=O~   14.963
22814 CCOC(=O)[CH]1C[CH](C(=O)OCC)C(=NC2=CC=CC=C2)C1=O~    9.896
22815 CCOC(=O)C(=O)[CH]1[CH]2C[C](C)(OC3=C2C=CC=C3)N(C)C1=O~   13.656
22816 COC1=CC=C(C=C1)N(CCC(O)=O)S(=O)(=O)C2=CC=C(C)C=C2~   11.511
22817 CC(C)=C[CH]1[CH](C(=O)OC2=C(C=C3OCOC3=C2)[N+]([O-])=O)C1(C)C~    8.883
22818 CC(=O)C(C(C(C(C)=O)C(C)=O)C1=CC(=CC=C1)[N+]([O-])=O)C(C)=O~   17.072
22819 CNC1=CC2=C(C=C1C)C=C3C=C(C)C(=CC3=N2)NC~   13.307
22821 OCCNCCNC1=C2C=CC=CC2=NC3=C1C=CC=C3~   18.120
22822 O=C(N1CCNCC1)N(C2=CC=CC=C2)C3=CC=CC=C3~   12.180
22823 CN(C)C1=CC(=C(C=C1)N=C2C=CC(=O)C=C2NC(C)=O)C~   14.642
22824 CC(C)C1=CC=C(C)C(=C1)NC(=O)NC2=CC=C(C=C2)[N+]([O-])=O~   12.026
22825 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC=C(C)C=C2~   12.815
22826 CCC(=NNS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)C2=CC=CC=C2~   12.735
22827 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=CCCC2=CC=CC=C2~   12.735
22828 CC(C)C1=C(O)C=C(C)C(=C1)NC(=O)NC2=CC=C(C=C2)[N+]([O-])=O~   16.009
22829 CCOC1=C(C=CC=C1)C=NNS(=O)(=O)C2=CC=C(NC(C)=O)C=C2~   14.086
22830 COC1=CC=C(C=C1)C(C)=NNS(=O)(=O)C2=CC=C(NC(C)=O)C=C2~   14.086
22831 CN1C(=O)N(C)C2=C(N(C)C(=N2)CCNC(=O)C3=CC=CC=C3)C1=O~   17.461
22835 CN1C(=O)N(C)C2=C(N=C(CNC(=S)NCC3=NC4=C(N3)N(C)C(=O)N(C)C4=O)N2)C1=O~   30.517
22836 CCN(CC)CN1C2=C(C=CC=C2)C3=CC=CC=C13~    5.684
22838 CCC(=CC1=CC=C(C=C1)N(C)C)C2=CC=NC=C2~    8.271
22839 C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=CC=C3~   10.502
22840 CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C~    9.309
22841 C1CCC2=C(N3CCOCC3)C4=C(C=CC=C4)N=C2C1~   10.149
22842 CC(C)C1=CC(C=CC1=O)=NC2=CC=C(C=C2)N(C)C~    8.088
22843 O=C(NCCC1=CC=CC=C1)NCCC2=CC=CC=C2~   10.695
22845 CN(C)CC[CH](C(=O)C1=CC=CC=C1)C2=CC=CC=N2~   12.043
22846 CN(C)CC[CH](C1=CC=CN=C1)C(=O)C2=CC=CC=C2~   12.043
22847 CN(C)CC[CH](C1=CC=NC=C1)C(=O)C2=CC=CC=C2~   12.043
22848 CCN(C(=O)N(CC)C1=CC=CC=C1)C2=CC=CC=C2~    7.085
22849 CC(C)C1=CC(=C(C)C=C1O)N=NC2=CC=C(C)C=C2~    8.441
22850 CC(=O)CC(C)(C)NC(=S)NC1=C2C=CC=CC2=CC=C1~   10.532
22852 CCN(CC)C1=CC=CC(=C1)OC(=O)NC2=CC=CC=C2~    9.646
22853 CC(C)C1=C(O)C=C(C)C(=C1)NC(=O)NC2=CC=CC=C2~   13.606
22855 CC1=CN(C2CCCCC2)C(=O)N(C3=CC=CC=C3)C1=O~    8.554
22856 CCOC1=CC=C(NC(=O)NC2=CC=C(OCC)C=C2)C=C1~   12.164
22857 CCOC1=CC(=C(OCC)C=C1N)NC(=O)C2=CC=CC=C2~   14.575
22862 CCN(CC)CCOC(=O)C1=C2C=CC=CC2=C(C=C1)[N+]([O-])=O~   10.810
22864 O=S(=O)(N1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3~   10.360
22865 COC1=CC=CC(=C1NC(=O)NC2=C(OC)C=CC=C2OC)OC~   14.866
22866 CCC1=C(NC(=S)NC2=C(CC)C=CC=C2)C=CC=C1~    6.987
22867 CN(C)C1=CC=C(C=C1)C2=[N+](C)C3=CC=C(C)C=C3S2~   13.971
22869 C1CN(CCN1CSC2=CC=CC=C2)C3=CC=CC=C3~    7.606
22870 C[CH](CN1C2=C(SC3=C1C=CC=C3)C=CC=C2)N(C)C~    9.303
22871 CN(C)C1=CC=C(C=C1)C(=S)C2=CC=C(C=C2)N(C)C~    7.110
22872 CN(C)CCCN1C2=C(SC3=C1C=CC=C3)C=CC=C2~    9.303
22873 CN(C)C1=CC=C(C=C1)N=C=NC2=CC=C(C=C2)N(C)C~    8.292
22874 O=C1C(CCC#N)(CCC#N)CCC1(CCC#N)CCC#N~   16.959
22875 CCN(CC)C1=CC2=C(C=C1C)N=C3C(=CC(=N)C=C3O2)N~   10.273
22876 CCCOC1=C2C=NN(C3=CC=CC=C3)C2=NC(=N1)SCCC~   11.870
22877 NC(=N)C1=CC=C(OCCCOC2=CC=C(C=C2)C(N)=N)C=C1~   16.550
22878 COC1=CC(=C(C)C=C1N)N=NC2=CC=C(C=C2)C(=O)N(C)C~   15.173
22879 CN1C(=O)N(C)C2=C(N(C)C(=N2)OCCCC3=CC=CC=C3)C1=O~   12.521
22880 CCN(CC)C1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O~   10.996
22881 CC1=C(C)C2=C(C=C1)N(C[CH](O)[CH](O)[CH](O)CO)C3=NC(=O)NC(=O)C3=N2~   18.445
22883 CC1=CC2=C(C=C1C)N(C[CH](O)[CH](O)[CH](O)CO)C3=NC(=O)NC(=O)C3=N2~   18.445
22884 N=C(NC1=CC=CC=C1)SCCCSC(=N)NC2=CC=CC=C2~   16.369
22886 CC1=CC=CC(=N1)CSC2=NC(=NC3=C2N=CN3[CH]4O[CH](CO)[CH](O)[CH]4O)N~   22.282
22887 NC(=O)N[CH](NC(=O)N[CH](NC(N)=O)C1=C(O)C=CC=C1)C2=C(O)C=CC=C2~   36.233
22888 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)NNS(=O)(=O)C2=CC=C(NC(C)=O)C=C2~   27.903
22891 CCC[C](O)(CC1=CC=CC=C1)C2=CC=CC=C2~    7.264
22893 COC(=O)[CH]1C[C]2(C[C](C[CH](C(=O)OC)C2=O)(C(=O)OC)C1=O)C(=O)OC~   18.189
22894 CC1=CC(=C(C=C1)C(C)(C)C2=C(O)C=C(C)C=C2)O~   10.951
22895 O[CH](CCC[CH](O)C1=CC=CC=C1)C2=CC=CC=C2~    8.701
22896 CCOCCOC(C1=CC=CC=C1)C2=CC=CC=C2~    6.936
22897 CCCCCCC(=O)C1=CC=C2C=CC=CC2=C1O~    6.287
22899 CC(C)CS(=O)(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~    7.021
22900 CCCCSS(=O)(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~    6.833
22901 CC(C)(O)[CH](O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2~   10.137
22902 CC[CH](O)C1=CC(=C(OCC2=CC=CC=C2)C=C1)OC~    9.967
22903 COC1=CC2=C(C=C1)C3=C(CC2)[CH](C)[CH](CC3)C(O)=O~    8.629
22904 CC(C)=C[CH]1[CH](C(=O)OC2=CC3=C(OCO3)C=C2)C1(C)C~    6.478
22906 COC1=C(OC)C=C(C=C1)C=C(C(O)=O)C2=CCCCC2~    9.963
22907 CC(=O)C(C(C(C(C)=O)C(C)=O)C1=CC=CC=C1)C(C)=O~   14.668
22908 C[CH]1[CH]2CCC3=C(C)C=C(OC(C)=O)C(=C3[CH]2OC1=O)C~    6.983
22909 CC(=O)OC1=C(C)C2=C3OC(=O)C(=C3CC[C]2(C)CC1)C~    4.500
22910 CC1=C(O)C(=CC(=C1)CC2=CC(=C(O)C(=C2)CO)C)CO~   16.987
22911 O=S(=O)(CCC1=CC=CC=C1)CS(=O)(=O)CCC2=CC=CC=C2~   11.216
22913 CCOC(=O)C1=C(C(=O)OCC)C2=C(C1)C=C(OC)C(=C2)OC~   10.658
22915 C[CH](COS(=O)(=O)CC1=CC=CC=C1)OS(=O)(=O)CC2=CC=CC=C2~   11.597
22917 C[CH](CC1=CC=CC=C1)NCCC2=CC=CC=C2~    6.595
22918 C[CH](CC1=CC=CC=C1)N(C)CC2=CC=CC=C2~    6.378
22919 CN[CH](CC1=CC=C(C)C=C1)C2=CC=C(C)C=C2~    6.757
22921 CCN[CH](CC1=CC=C(C)C=C1)C2=CC=CC=C2~    6.676
22922 CC(C)N[CH](CC1=CC=CC=C1)C2=CC=CC=C2~    6.595
22923 CN(C)[CH](CC1=CC=CC=C1)C2=CC=C(C)C=C2~    6.457
22924 CCCN[CH](CC1=CC=CC=C1)C2=CC=CC=C2~    6.595
22925 CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=C2~    6.378
22927 CN(C)CCOC1=CC=C2C=CC=CC2=C1CC=C~    7.527
22928 COC1=CC=C(C=C1)[CH](C)CNCC2=CC=CC=C2~    7.947
22931 C[CH]([CH](O)C1=CC=CC=C1)N(C)CC2=CC=CC=C2~   10.815
22932 CCN(CC)CCC(=O)C1=C2C=CC=CC2=CC=C1~    8.955
22933 CC(C)(CO)[CH](NC1=CC=CC=C1)C2=CC=CC=C2~   10.417
22934 CCCC[CH](C(=O)C1=CC=CC=C1)[N+]2=CC=CC=C2~   13.206
22936 CCN[CH](CC1=CC=CC=C1)C2=CC=C(OC)C=C2~    7.947
22937 CC1=CC=C(C=C1)[CH](CC2=CC=CC=C2)NCCO~   11.113
22938 C[CH]([CH](NCCO)C1=CC=CC=C1)C2=CC=CC=C2~   11.033
22939 C[CH](O)CN[CH](CC1=CC=CC=C1)C2=CC=CC=C2~   11.033
22940 OCCNC(CC1=CC=CC=C1)CC2=CC=CC=C2~   11.033
22941 CC(C)C1=CC(=C(C)C=C1)C(=O)C[N+]2=CC=CC=C2~   13.367
22942 CCOC1=CC(=CC=C1)[CH](CC2=CC=CC=C2)NC~    7.947
22945 CN[CH](CC1=CC=C(C)C=C1)C2=CC=C(OC)C=C2~    8.027
22946 CN(C)C[CH]([CH](O)C1=CC=CC=C1)C2=CC=CC=C2~   10.815
22947 CN(C)CCC(O)(C1=CC=CC=C1)C2=CC=CC=C2~   10.815
22948 CC(C)[C](O)(CC1=CC=CC=C1)CC2=CC=CC=N2~   10.024
22949 O=C(CCN1C[CH]2CC=CC[CH]2C1)C3=CC=CC=C3~    8.219
22951 OC1=C(CNC2CCCCC2)C3=CC=CC=C3C=C1~   10.606
22953 CN(C)C[CH](OC1=CC=CC=C1)[CH](O)C2=CC=CC=C2~   12.085
22954 C[N+](C)([O-])CCOC(C1=CC=CC=C1)C2=CC=CC=C2~   15.527
22955 COC1=CC=C(CC[CH](N)C2=CC=C(OC)C=C2)C=C1~    9.516
22957 COC1=CC=C(C=C1)[CH](CC2=CC=CC=C2)NCCO~   12.384
22960 CN[CH](CC1=CC=CC=C1)C2=C(OC)C(=CC=C2)OC~    9.298
22963 CN1[CH]2CC[CH]1CC(C2)OC(=O)C(=C)C3=CC=CC=C3~    8.783
22965 CN(CCCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C)C=C2~    6.495
22966 CC1=CC=C(C=C1)S(=O)(=O)NCCCCC2=CC=CC=C2~    6.714
22967 CN(C)CCS(=O)(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~   10.572
22968 CCCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C)C=C2~    6.495
22969 COC(=O)[CH]1[CH](C[CH]2CC[CH]1N2C)OC(=O)C3=CC=CC=C3~   10.484
22970 CCOC(=O)C(CC(=O)C1=CC=CC=C1)(NC(C)=O)C(=O)OCC~   15.062
22973 CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C~    8.439
22975 CN(C)C1=CC=C(C=C1)C(=NO)C2=CC=C(C=C2)N(C)C~   11.137
22977 C[CH]1CCCCN1CCCOC(=O)C2=NOC3=C2C=CC(=C3)[N+]([O-])=O~   12.775
22978 CC[C](C)(CC(O)=O)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2~   20.235
22979 OC[CH]1O[CH](NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)[CH](O)[CH](O)[CH]1O~   22.770
22980 CCC1=C(NC2=C3C=NN(C)C3=NC(=N2)C)C(=CC=C1)CC~   11.717
22981 CCC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)NC(C)(C)C~   14.724
22982 CCCCN1C=NC2=C1N=C(N)N=C2SCCC3=CC=CC=C3~    8.821
22984 CN(C)C1=CC=C(C=C1)C=NNC2=NC3=C(N2C)C(=O)N(C)C(=O)N3C~   16.363
22985 C[CH]1CCC2=C(C1)C3=C(C=CC(=C3)C)C2(C)C~    2.107
22986 NC(=N)NC(=N)NC1=CC=C(CC2=CC=C(NC(=N)NC(N)=N)C=C2)C=C1~   30.900
22987 CC1=CC(=C(C)C=C1N)CC2=C(C)C=C(N)C(=C2)C~   10.051
22990 CCN(CN(CC)C1=CC=CC=C1)C2=CC=CC=C2~    4.256
22991 CN(C)CC(CN)(C1=CC=CC=C1)C2=CC=CC=C2~   10.365
22994 CN(C)CCCN(C1=CC=CC=C1)C2=CC=CC=C2~    7.726
22995 C=CC1=CC=[N+](CCC[N+]2=CC=C(C=C)C=C2)C=C1~   12.848
22996 CN(C)C1=CC=C(C=C1)C(O)C2=CC=C(C=C2)N(C)C~   11.353
22997 COC1=CC=C(C=C1)[CH](CC2=CC=CC=C2)NCCN~   11.936
22998 C[CH]1CN(C2CCCCC2)C(=S)N(C1=O)C3=CC=CC=C3~    7.870
22999 CC[CH](CC=C)C(=O)NC(=O)N1CCC2=C(C1)C=CC=C2~   10.202
23000 CC[CH](CC=C)C(=O)NC(=O)N1CCCC2=C1C=CC=C2~    8.616
23001 CCN(CC)CCNC(=O)C1=CC2=C(C=CC=C2)C=C1O~   13.142
23003 CCC(C)(C)C1=CC=C(NS(=O)(=O)C2=CC=C(N)C=C2)C=C1~    9.550
23004 O=C(N1CCOCC1)C2=C(CC(=S)N3CCOCC3)C=CC=C2~   15.633
23005 CCOC(=O)C1=C(CC2=C(C(=CN2)C)C(=O)OCC)NC=C1C~   12.917
23006 CCC1=C(CC2=C(CC)C(=C(N2)C(O)=O)C)NC(=C1C)C(O)=O~   17.842
23007 CCOC(=O)C(NC(=O)CNC(=O)OCC1=CC=CC=C1)C(=O)OCC~   13.833
23008 C1CCN(CC1)C2=C(N=C3C=CC=CC3=N2)N4CCCC4~   10.239
23009 CN(C)C1=C(N)C=C(C=C1)C(=O)C2=CC(=C(C=C2)N(C)C)N~   16.213
23011 CCN(CC)C1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=C(N)C=C2~   12.044
23012 CC(C=CC1=CC=C(O1)[N+]([O-])=O)=NN2C[CH](CN3CCCCC3)OC2=O~   13.670
23013 CN(C)C1=CC=C(NC(=S)NC2=CC=C(C=C2)N(C)C)C=C1~   10.914
23015 CN1C(=CC(=NC1=N)NC2=CC3=C(N)C=C(C)[N+](=C3C=C2)C)C~   23.206
23017 CCC1=C2C(=O)CCC2=C3C(=C1)CCCC3(C)C~    4.932
23019 C[CH]1CCC(C)(C)C2=CC(=C3C(=O)CCC3=C12)C~    4.932
23021 CC(C)=C[CH]1[CH](COC(=O)C2=CC=CC=C2)C1(C)C~    3.693
23022 C[C]1(CCC[C]2(C)[CH]1CCC3=C2C=C(O)C=C3)C(O)=O~   11.021
23025 COCC[C]1(CCCCC1=CC(O)=O)C2=CC=CC=C2~    8.914
23026 COC1=CC=C(CCC[CH]2C(=O)C[CH](C)OC2=O)C=C1OC~   10.341
23027 C[CH]1C[CH]2OC(=O)[C]3(C)[CH]2[CH](O[C]3(C)O)[C]4(C)[CH]1C=CC4=O~   14.595
23028 CC(=O)O[CH]1C=C(C)CC[CH]2O[C]2(C)C[CH]3OC(=O)C(=C)[CH]13~    8.836
23029 CC(=C)COC(=O)C1C2CC(C3OC23)C1C(=O)OCC(C)=C~    8.636
23030 CCOC(=O)CCCCC1=CC=C(C=C1)C(=O)CCC(O)=O~   12.102
23031 CCOC(=O)[CH]([CH](CC(C)=O)C1=CC=C(OC)C=C1)C(C)=O~   12.052
23032 CCCC(=O)OC(OC(=O)CCC)C1=CC=C(OC(C)=O)C=C1~    8.900
23033 CCC(=O)OC(OC(=O)CC)C1=CC(=C(OC(=O)CC)C=C1)OC~   10.251
23035 C[N+](C)(C)[CH](CC1=CC=CC=C1)C2=CC=CC=C2~   14.642
23037 CC1=CC(CC(C)(C)C1)=NC2=CC(=CC(=C2)C)C~    2.183
23038 CCN(CC)CC[CH](O)C1=C2C=CC=CC2=CC=C1~   10.485
23039 CCN(CC)[CH](C)[CH](O)C1=C2C=CC=CC2=CC=C1~   10.485
23042 CCN(CC)C[CH](O)C1=C2C=CC=CC2=C(OC)C=C1~   11.836
23043 CCN(CC)C[CH](O)C1=C2C=CC=CC2=CC=C1OC~   11.836
23044 C[N+]1([O-])CCC23CCCCC2C1CC4=CC=C(O)C=C34~   16.772
23045 C[CH]1C[CH](CC(C)(C)C1)N=CC2=CC3=C(OCO3)C=C2~    5.712
23046 CCN(CC)CCC(C(=O)OC)(C1=CC=CS1)C2=CC=CS2~    9.284
23049 OC1(CCCC1)[CH](C(=O)N2CCOCC2)C3=CC=CC=C3~   14.703
23050 C[CH](O)CN(C[CH](C)O)CC1=C(O)C=CC2=CC=CC=C12~   15.907
23051 CC(=O)OC1=C(CN(C2CCCCC2)C(C)=O)C=CC=C1~   10.021
23052 CC[CH]1CN2CCC3=C(C=C(OC)C(=C3)OC)[CH]2CC1=O~   11.458
23053 COC1=CC=CC(=C1OC)C=CC(=O)CCN2CCOCC2~   13.733
23054 CC(C)[CH]1CC[CH](C)C[CH]1OC(=O)C2=CC=C(C=C2)[N+]([O-])=O~    6.112
23057 CCOC(=O)C(CC1=CC(=CC=C1)C)(NC(C)=O)C(=O)OCC~   12.237
23058 CCOC(=O)C(CCC1=CC=CC=C1)(NC(C)=O)C(=O)OCC~   12.157
23060 CCOC(=O)C(CC)(CCC1=C(C=CC=C1)[N+]([O-])=O)C(=O)OCC~    9.138
23062 C[N+](C)(CCSC1=CC=CC=C1)CC2=CC=CC=C2~   16.220
23064 CCN(CC)C[CH](O)C1=CN=C(N=C1C)C2=CC=CC=C2~   13.936
23065 COC1=CC(=C2N=CC=CC2=C1)NCC[CH]3CCCCN3~   13.886
23066 CCNC(=O)C1CCN(CC1)CC2=CNC3=C2C=CC=C3~   15.656
23067 CCN(CC)CCNC(=O)NC1=C2C=CC=CC2=CC=C1~   13.300
23068 CN(C)C(=O)C1CCN(CC1)CC2=CNC3=C2C=CC=C3~   15.437
23069 CC[CH](C)[C]1(CC)C(=O)NC(=NC1=O)NCC2=CC=CC=C2~   12.903
23070 COC1=CC(=C2N=CC=CC2=C1)NC(=O)CCN(CCO)CCO~   22.140
23071 COC1=NC2=C(NC(=O)CCN(CCO)CCO)C=CC=C2C=C1~   21.180
23072 COC1=C(OC)C(=CC(=C1)C=CC(=O)NCC(=O)NN=C(C)C)OC~   14.565
23073 CN(C)C1=CC=C(NC(=N)NC2=CC=C(C=C2)N(C)C)C=C1~   14.745
23074 CCCCCC(CC[CH]1NC(=S)NC1=O)=NNC(=O)C2=CC=NC=C2~   13.921
23075 CCC1=C(C)NC(=C1C)C=C2N=C(C)C(=C2C)CC~    5.488
23076 CCCCCCNC1=CC(=NC2=CC=C(OC)C=C12)C~    9.842
23081 CC(C)COC(=O)C1=CC=C(NC(=O)C[CH]2CCCN2)C=C1~   13.664
23082 CCOC(=O)C1=CC=C(NC(=O)CNC2CCCCC2)C=C1~   12.365
23083 CCCCNC(=O)C1=CC(=CC(=C1O)C2CCCCC2)[N+]([O-])=O~   10.928
23084 CC[C]1(C)CC[C](C)(CC)C2=C(C(=C(C=C12)[N+]([O-])=O)C)[N+]([O-])=O~    6.319
23085 CC(C)C1=C(C=C2C(=C1[N+]([O-])=O)C(C)(C)CCC2(C)C)[N+]([O-])=O~    6.319
23086 CC(C)COC(=O)C1=CC=C(NC(=O)CN2CCOCC2)C=C1~   14.200
23089 CCCCOC(=O)C1=CC=CC(=C1)NC(=O)CN2CCOCC2~   14.200
23090 CN(C)C1=CC(=C(CC2=C(N)C=C(C=C2)N(C)C)C=C1)N~   13.818
23091 CCCCCCCCC(C=O)=CC1=CC=CC=C1~    4.740
23092 C[CH]1C(C)(C)C2=C(C=C(C(C)=O)C(=C2)C)C1(C)C~    4.498
23094 CC[C]1(C)CC[CH](C)C2=C1C=C(C)C(=C2)C(C)=O~    4.498
23095 C[CH]1CC(C)(C)C2=C(C=C(C=C2)C(C)=O)C1(C)C~    4.417
23096 CCCCCC[CH](C)OC(=O)C=CC1=CC=CC=C1~    4.521
23097 CCC[CH]1O[CH](OC[CH]1CC)C=CC2=CC=CC=C2~    5.144
23098 C[CH]1CC[CH](C(C)C)[CH](C1)OC(=O)C2=CC=CC=C2~    3.708
23099 CCCCCC(=CC1=CC=CC=C1)[CH]2OC[CH](C)O2~    5.072
23100 CCCCCC(=CC1=CC=CC=C1)C2OCCCO2~    5.072
23101 CC[CH](C)C1CCC(CC1)OC(=O)C2=CC=CC=C2~    3.708
23106 CC1=CC=C(C=C1)C(=O)CCCCCCCCC(O)=O~    9.233
23108 COC1=CC(=CC(=C1OC)OC)[CH](C(O)=O)C2(O)CCCCC2~   15.093
23109 C1CCN(CC1)C2(CCCCC2)C3=CC=CC=C3~    5.257
23110 CCCCCCCC[N+]1=CC2=CC=CC=C2C=C1~    9.971
23111 CCCC[CH](N1CCCCC1)C(=O)C2=CC=CC=C2~    6.507
23113 CCC[C](C)(N1CCCCC1)C(=O)C2=CC=CC=C2~    6.507
23114 CCCCC(CCCC)(C#N)C1=CC=C(OC)C=C1~    5.851
23116 CC(C)[CH]1CC[CH](C)C[CH]1OC(=O)C2=CC=C(N)C=C2~    7.159
23120 CCN(CC)C(=O)[CH](C1=CC=CC=C1)C2(O)CCCC2~   12.292
23121 CCCC[CH](CC)C(=O)O[CH](C)C(=O)NC1=CC=CC=C1~    9.121
23122 CC(C)OC1=CC=C(C=C1)C(=O)OCCN2CC[CH](C)C2~    8.609
23123 CC(C)OC1=CC=C(C=C1)C(=O)OCCCN2CCCC2~    8.609
23124 CC(C)OC1=CC=C(C=C1)C(=O)OCCN2CCC[CH]2C~    8.609
23125 COC1=C(OCCCN2CCOCC2)C=CC(=C1)C=CC~   10.042
23126 CCCCCOCCCN1C(=O)[CH]2[CH]3C[CH](C=C3)[CH]2C1=O~    8.600
23127 C[N+]1(C)[CH]2CC[CH]1CC(C2)OC(=O)[CH](O)C3=CC=CC=C3~   17.199
23128 CCCCCCCCCCN1C(=O)C2=CC=CC=C2S1(=O)=O~    7.461
23129 CCCOC(=O)C1=CC=C(OCCCN2CCOCC2)C=C1~   10.664
23132 CCCCCCCC(C)(C)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O~    5.757
23133 CCCC[S+](CCCC)CCOC(=O)C1=CC=C(C=C1)[N+]([O-])=O~    7.688
23134 CCOC(=O)OC1=C(OCC)C=C(C=C1)C(=O)NCCC(C)C~   10.174
23135 COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2CCCCC2~   11.312
23136 C[CH]1C[C](C)(C[CH]([CH](O)CC2CC(=O)NC(=O)C2)C1=O)OC(C)=O~   17.077
23137 CCN(CC)CCCNC1=C2N=CC=CC2=CC(=C1)OC~   13.312
23138 CCN(CC)CCCNC1=NC=CC2=C(OC)C=CC=C12~   13.312
23139 CCN(CC)CCNC1=C2N=CC=CC2=C(C)C(=C1)OC~   13.393
23140 CC[CH](CNC1=C2N=CC=CC2=CC(=C1)OC)NC(C)C~   13.532
23141 CCN(CC)CCCNC1=C2C=C(OC)C=CC2=CC=N1~   13.312
23142 CCN(CC)CCCNC1=CC=CC2=C(OC)C=CN=C12~   13.312
23143 CC(C)NCCCCCNC1=CC(=CC2=CC=CN=C12)O~   16.163
23145 CCCN(C)C[CH](C)NC1=C2N=CC=CC2=CC(=C1)OC~   13.312
23146 CC1=CC=C(C=C1)N2CCN(CCCOCCC#N)CC2~   12.506
23148 CC1=C(C=CC=C1)N2CCN(CCCOCCC#N)CC2~   12.506
23149 COC1=CC(=C2N=CC=C(C)C2=C1)NCCCNC(C)C~   13.611
23150 CCN(CC)CCCN1C(=O)C(=NC2=C1C=CC(=C2)OC)C~   10.640
23152 COC1=CC(=C2N=CC=CC2=C1OC)NCCCCCCN~   15.101
23153 CCOC(=O)N1CCN(CC1)CC(=O)NC2=C(C)C=CC=C2C~   12.625
23155 NC1=NC=NC2=C1N=CN2[CH]3[CH](CO)O[CH](O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O~   30.606
23156 CCCCCC(=O)NC1=NC=NC2=C1N(C=N2)C(=O)CCCCC~   15.005
23160 CC(C)C1=CC2=C(C=C1)C(C)(C)CCC2(C)C~    1.511
23161 C[CH](C[CH](C#N)N(C)C1=CC=CC=C1)CC(C)(C)C~    6.465
23162 CCCCN(CCCC)C(=N)C=CC1=CC=CC=C1~    6.452
23163 C1CCN(CC1)C(N2CCCCC2)C3=CC=CC=C3~    6.308
23166 CCCCCC1CCN(CC1)C(=O)C2=CC=C(N)C=C2~   10.796
23167 CCN(CC)C(=O)[CH](N1CCCCC1)C2=CC=CC=C2~   10.106
23168 CCCCCC1=CC=C(C=C1)C(=O)N2CCN(C)CC2~   10.975
23169 CCN(CC)CC[C](C)(C#N)C1=C(OC)C(=CC=C1)OC~   10.754
23170 CCOC(=O)C1=C(C)N2CN(CC2=C1C)C3CCCCC3~    9.177
23172 CC1=CC(=C(O)C(=C1)CN2CCOCC2)CN3CCOCC3~   17.060
23173 CC1=CC(=CC(=C1O)CN2CCOCC2)CN3CCOCC3~   17.060
23174 CCN(CC)CC(=O)NC1=CC=C(C=C1)C(=O)OCC(C)C~   11.790
23175 CC(C)CNCC(=O)NC1=CC=C(C=C1)C(=O)OCC(C)C~   12.008
23176 CCCCCOC(=O)C1=CC=C(NC(=O)CCNCC)C=C1~   13.308
23177 CCCCOC(=O)C1=CC=C(NC(=O)CCNCCC)C=C1~   13.308
23178 CCCCCOC(=O)C1=CC=C(NC(=O)CNCCC)C=C1~   12.008
23179 CCCNCC(=O)NC1=CC=C(C=C1)C(=O)OC(C)(C)CC~   12.008
23180 CCN(CC)CC(=O)NC1=CC(=CC=C1)C(=O)OCC(C)C~   11.790
23181 CCOC(=O)C1=CC=C(NC(=O)CCCN(CC)CC)C=C1~   13.090
23182 CCOC(=O)C1=CC=C(NC(=O)CCCNCC(C)C)C=C1~   13.308
23183 CCCN(CCC)CC(=O)NC1=C(C=CC=C1)C(=O)OCC~   11.790
23185 CCN(CC)CCOC(=O)C1=C(C)C(=C(C(=C1C)C)[N+]([O-])=O)C~    9.627
23186 COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2CCN(C)CC2~   14.863
23187 CCN(CC)C[CH](OC(=O)C1=CC=C(C=C1)[N+]([O-])=O)[CH](COC)OC~   13.416
23188 CCN(CC)CCC[CH](C)NC1=C2N=CC=CC2=NC=C1~   14.721
23189 COC1=CC2=C(C=C1)N=C(NC(CN(C)C)CN(C)C)C=C2~   16.863
23191 CCCCCCCNC1=NC(=NC(=N1)N)NC2=CC=C(C)C=C2~   11.860
23192 NC1=NC(=C2N=CN([CH]3O[CH](CO)[CH](O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O)C2=N1)N~   30.507
23193 CC(C)=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C~    3.542
23194 CC(=O)C1=C(C)[CH]2C[C]3(C)C[CH](C3(C)C)[C]2(C)C1~    3.833
23195 CC(C)CCC1=CC(=CC(=C1C)C(C)=O)C(C)C~    4.141
23196 CC(=O)OCO[CH]1[CH](COC(C)=O)OCO[CH](COC(C)=O)[CH]1OCOC(C)=O~   18.516
23199 CCCCC1(CC)COC(C)(OC1)C2=CC=CC=C2~    4.759
23201 CCOC(=O)C=C(C)C=CC1=C(C)CCCC1(C)C~    2.790
23202 CCCCCCCOC(=O)C1=CC=C(C=C1)C(C)C~    3.432
23203 CCC[CH]1O[CH](CCC2=CC=CC=C2)OC[CH]1CC~    4.759
23204 CCC(=O)OC1=CC=C(C=C1)C(C)(C)CC(C)(C)C~    3.161
23205 CCCCC1(CC)COC(CC2=CC=CC=C2)OC1~    4.759
23206 CCCCC1(CC)COC(OC1)C2=CC=C(C)C=C2~    4.842
23207 CC(C)[CH]1O[C](C)(CC2=CC=CC=C2)OCC1(C)C~    4.759
23208 CCC[CH]1O[C](CC)(OC[CH]1CC)C2=CC=CC=C2~    4.759
23209 CCCCC[CH](CCC)COC(=O)C1=CC=CC=C1~    3.352
23210 C[CH](CCCCCCCCC(O)=O)C1=CC=CC=C1~    6.247
23211 CCC[CH]1O[CH](OC[CH]1CC)[CH](C)C2=CC=CC=C2~    4.759
23212 CCCCCCC1=CC=C(C=CC(OC)OC)C=C1~    4.870
23213 CCCC1(C)COC(OC1)C2=CC=C(C=C2)C(C)C~    4.842
23214 CCCCC1(CC)COC(OC1)C2=CC=C(OC)C=C2~    6.111
23215 CCCCC[C]1(C)OC[CH](COC2=C(C)C=CC=C2)O1~    6.111
23216 CC[CH](C)C1=C(OC[CH](C)OC(=O)C(C)C)C=CC=C1~    5.216
23218 CCCC(=O)O[CH](C)COC1=C(C=CC=C1)[CH](C)CC~    5.216
23219 CCCC(=O)O[CH](C)COC1=CC=C(C=C1)C(C)(C)C~    5.216
23220 CCCC(=O)O[CH](C)COC1=CC=C(C=C1)[CH](C)CC~    5.216
23221 CCCCCCCCCOC(=O)C1=CC=C(OC)C=C1~    4.703
23222 CC(=O)OCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C~    8.008
23224 CCC1(C)COC(C)(CCC2=CC=C(OC)C=C2)OC1~    6.111
23226 CC(=O)C[C]1(O)C(=O)C=C(C=C1C(C)(C)C)C(C)(C)C~    7.492
23227 CCCCOC1=C(OCCCC)C=C(CCC(O)=O)C=C1~    8.951
23228 COC1=CC=C(CC[C]2(C)OC[CH](CCCCO)O2)C=C1~   10.548
23229 CCC[CH]1O[CH](OC[CH]1CC)C2=CC=C(OC)C(=C2)OC~    7.462
23230 CCCCOCCOCCOC(=O)C1=C(OCC)C=CC=C1~    8.812
23232 COCC1=C(O[CH]2O[CH](CO)[CH](OC)[CH](OC)[CH]2OC)C=CC=C1~   18.312
23233 CCCCCCCC=CC1=CC=C(C=C1)N(C)C~    3.424
23234 CCCCCN(CCCCC)C(=O)C1=CC=CC=C1~    6.987
23235 CC[C](O)([CH](C)CN1CCCCC1)C2=CC=CC=C2~    9.338
23236 CC(C)C1=CC(=C(C)C=C1)[CH](O)CN2CCCCC2~    9.499
23237 CCN(CC)C[CH](C1=CC=CC=C1)C2(O)CCCC2~    9.338
23238 CC(C)(C)C1=CC(=C(O)C=C1)CNC2CCCCC2~    9.183
23240 CCN(CC)CCOC(=O)C1=C(C)C(=CC(=C1C)C)C~    7.224
23241 CCN(CC)CCOC(=O)C1=CC(=CC(=C1)CC)CC~    7.063
23242 CC(C)C(=O)OC1(CCCCC1)CC2=[N+](C)C=CC=C2~   11.775
23244 CCCCOC1=CC=C(SCCCN2CCOCC2)C=C1~    9.886
23245 CCCCOC1=CC=C(OCCCN2CCOCC2)C=C1~    9.578
23246 CC[CH](O)[CH](C(=O)OCCN(CC)CC)C1=CC=CC=C1~   11.854
23247 C[CH]1C[C](C)(C[CH]([CH](O)CC2CC(=O)NC(=O)C2)[CH]1O)OC(C)=O~   15.095
23248 CCN(CC)CCN(CC=CC=CC)C1=CC=CC=N1~    9.471
23250 C(CN1CCOCC1)CN2CCN(CC2)C3=CC=CC=C3~   12.827
23251 CCOC(=O)N1CCN(CCCCOC2=C(N)C=CC=C2)CC1~   15.580
23252 CCOC(=O)NC1=CC(=C(NC(=O)CN(CC)CC)C(=C1)C)C~   11.951
23254 C[CH]1CN(CCCCO)CCN1CCC2=CC=CC=C2~   12.889
23255 CC(C)(C)CC(C)(C)C1=CC=C(OCCSC(N)=N)C=C1~    9.951
23257 CN(C)CC1=CC(=CC(=C1O)N2CCOCC2)C(C)(C)C~   13.064
23258 CCCCN(CCCC)C(=N)C1=C(OC)C=CC(=C1)OC~    8.772
23260 CCCCN(CCCC)C(=N)C1=C(OC)C=CC=C1OC~    8.772
23261 CCCCOC1=CC=C(C=C1)C(=O)NCCN(CC)CC~   12.107
23264 CCCCOC(=O)C1=CC(=C(O)C(=C1)CN(C)C)CN(C)C~   14.597
23266 CCCCCCOCCOCCCNC(=O)C1=CC=CN=C1~   14.075
23267 CCCCNCCOC(=O)C1=CC(=C(OCCCC)C=C1)N~   11.924
23268 CCCCOC1=C(N)C=C(C=C1)C(=O)O[CH](C)CNCCC~   11.924
23269 CCCCOC1=C(N)C=C(C=C1)C(=O)OCCNCC(C)C~   11.924
23270 CCCCOC1=C(C=CC=C1N)C(=O)OCCN(CC)CC~   11.706
23272 CC(=C)CN(CC(C)=C)SC(=S)N(CC(C)=C)CC(C)=C~    3.815
23273 CCCCOC(=O)C1=C(N)SC(=N1)N(CC2CCCCC2)C(=O)NC~   16.082
23277 COCCOC(=O)[C](CO)(C[C](CO)(C(C)=O)C(=O)OCCOC)C(C)=O~   21.721
23278 CO[CH](C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C~    7.193
23279 CC(C)C=C(C)[CH]1CCC(=C1CC[CH](C)C(O)=O)C~    4.668
23280 CC1CCC2C(C)(C)C3CC12CCC3(C)OC(C)=O~    3.100
23281 C[CH]1CC[CH](CC2=C1CC[CH]2C)C(C)(C)OC(C)=O~    2.656
23282 CCOC(CCCCCOCC1=CC=CC=C1)OCC~    6.460
23283 CCOS(=O)(=O)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C~    5.104
23285 CCOC(=O)CCC(CCC(=O)OCC)(C(=O)OCC)C(=O)OCC~   10.642
23287 CCSC(SCC)[CH](OC(C)=O)[CH](OC(C)=O)[CH](COC(C)=O)OC(C)=O~   14.833
23288 CCCCCCCCCCNCC1=CC=CC=C1~    4.764
23292 CN(C)CC1=C(O)C(=CC(=C1)C(C)(C)C)C(C)(C)C~    8.688
23294 CN(C)CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C~    8.688
23295 CCN(CC)CCCOC1=C(C=CC(=C1)C)C(C)C~    5.979
23296 CN(C)CC1=CC(=CC=C1O)C(C)(C)CC(C)(C)C~    8.609
23297 CCCCC[CH](C)N(C)C[CH](O)CC1=CC=CC=C1~    8.983
23298 CNCC1=C(O)C(=CC(=C1C)C(C)(C)C)C(C)(C)C~    8.987
23299 CC(C)(C)CC(C)(C)C1=CC(=C(O)C=C1)C[N+](C)(C)[O-]~   15.706
23300 CCCCOC1=CC=C(OCCCN(CC)CC)C=C1~    7.168
23302 C[CH]1C[CH](C)C(=NN(C)C)[CH](C1)[CH](O)CC2CC(=O)NC(=O)C2~   14.254
23303 CCCCCCCCCCS(=O)(=O)NC1=CC=C(C=C1)C(=O)NN~   13.592
23304 CCCCCCCCCCCCNC1=C2C=NNC2=NC=N1~   11.466
23305 CCCCCCCCCCCNC1=NC=NC2=C1C=NN2C~   10.260
23306 C[N+]1(CCC[N+]2(C)CC3=CC=CC=C3C2)CCOCC1~   21.472
23309 CCCCCCCCCCCC1=NN(C=C1)C(=O)OCC~    3.836
23310 CCCCCC[CH](C)N(CCO)C(=O)C[N+]1=CC=CC=C1~   19.411
23314 CC1=CC(=C(O)C(=C1)CN(CCO)CCO)CN(CCO)CCO~   20.987
23315 O=C(CCCCCC1CCCCC1)OC2CCCC2~    2.745
23316 CCCCCOC(=O)CCCCC[CH]1CCCC=C1~    2.445
23317 CCC(CC)OC(=O)CCCCC[CH]1CCCC=C1~    2.445
23318 CCCCC(=O)OC1CCC(CC1)C2CCCCC2~    2.745
23319 CCCCC(=O)O[CH]1CCCC[CH]1C2CCCCC2~    2.745
23320 CC(C)CC(=O)O[CH]1CCCC[CH]1C2CCCCC2~    2.745
23321 CCCCC1(CC)COC(OC1)[CH]2CC=CC[CH]2C~    3.340
23322 C[CH](OC(C)=O)[C]1(C)CC[CH]2CCCC(C)(C)[CH]2C1~    2.745
23323 CC(C)CC(=O)OC1CCC(CC1)C2CCCCC2~    2.745
23324 CCCCC[CH]1O[CH](OC[CH]1CC)[CH]2CCC=CC2~    3.340
23326 CCCCCCC[C]1(OC12CCCCC2)C(=O)OCC~    4.450
23327 CCCC(=O)O[CH](CC[CH]1CCCO1)CC[CH]2CCCO2~    7.754
23328 CCCCOC(=O)CCCCC(=O)O[CH](C)C(=O)OCCCC~    6.921
23329 CCOC(=O)[CH](CC)CCC(CC)(C(=O)OCC)C(=O)OCC~    7.772
23330 CCC(=O)OCCC[CH](CC[CH](C)OC(=O)CC)OC(=O)CC~    7.772
23331 CCSC(SCC)[CH](SCC)[CH](OC(C)=O)[CH](COC(C)=O)OC(C)=O~   14.057
23333 CC(C)C1=CC(=C(C)C(=C1)C(C)C)C[N+](C)(C)C~   13.052
23337 CCC[CH](C1CCCC1)C(=O)OCCN2CC[CH](C)C2~    6.296
23339 CCC[CH](C1CCCC1)C(=O)OCCCN2CCCC2~    6.296
23340 COC(=O)CCCN(C1CCCCC1)C2CCCCC2~    6.296
23343 CCCC[CH](CC)CC[CH](OC(=O)CSC#N)[CH](C)CC~    5.382
23344 CCCCCCCCCCCCCCOC(=O)CSC#N~    5.382
23345 CCCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC~   10.326
23347 CCCC[CH](CC)COC(=N)N(CC(C)=C)CC(C)=C~    6.403
23349 COC[CH](NC(=O)[CH]1CCCN1C)[C]2(C)O[CH](SCCO)[CH](O)[CH](O)[CH]2O~   24.701
23352 CCCCCCCCCCCCCC(=O)C(=O)CC~    5.105
23353 CC(C)C1C[CH](C(C)C)C(OC(C)=O)[CH](C1)C(C)C~    2.389
23354 C[CH]1CC(C)(C)O[CH](CCCCCCCCC=C)O1~    3.057
23356 CC(C)C[CH](C)[CH]1CC[CH](C)[CH]1CC[CH](C)OC=O~    2.130
23357 CCC1(C)COC(CCCCCCCCC=C)OC1~    3.057
23358 CCCCCCCCCCCC(=O)OC1CCCC1~    2.389
23359 CCCCCCCCC(=O)OCCCC[CH]1CCCO1~    5.344
23360 CCCCCCCCCC(=O)OCCC[CH]1CCCO1~    5.344
23363 CC(C)(C)CCCC(CCCC(C)(C)C)(C(O)=O)C(O)=O~    9.668
23364 CCCCCCCCCCCCOC(=O)[CH](C)OC(C)=O~    4.053
23365 CCCC[CH](CC)CC(CC)(C(=O)OCC)C(=O)OCC~    4.903
23366 CN(CCC1CCCCC1)CCC2CCCCC2~    3.426
23368 CCCC[CH](CC)CC[CH](CC(C)C)OCCC#N~    4.724
23370 CCCCCCCCCCCC1=N[C](CC)(CO)CO1~    7.316
23372 CCCCN(CCCC)CCC[CH](C(C)=O)C(=O)OCC~    9.002
23373 CCCCCCCCCCCC1OCC(CC)(CO1)[N+]([O-])=O~    6.172
23374 CCCCCCCCCC1=NC(C)(C)CN1C(C)C~    4.375
23375 CCCCCCCCN(CCCCCCCC)C#N~    2.073
23376 CCN(CC)CCC[CH](C)N1C[CH]2CCCC[CH]2C1~    6.979
23378 CN(CC(O)CN(C)C1CCCCC1)C2CCCCC2~   11.413
23379 C[N+]1(CCC[N+]2(C)C[CH]3CC=CC[CH]3C2)CCOCC1~   19.975
23380 CCCCCCCCCCCCOC(=N)N1CCCC1~    6.648
23381 CCN(CC)C(=O)CCCCCCCC(=O)N(CC)CC~    8.975
23382 CCCCCCCCCCN1CCN(CC1)C(=O)OCC~    9.026
23383 CC[CH](C)C(CC)(C(=O)N(CC)CC)C(=O)N(CC)CC~    8.975
23386 CCCCCCCCCCCCCCCCC(O)=O~    4.416
23387 CCCCCCCCCCCC(=O)OCCCCC~    2.033
23390 CCCC[CH](CC)CC[CH](C)OC(=O)[CH](C)CCC~    2.033
23391 CCCC[CH](CC)CC[CH](C)OC(=O)C(CC)CC~    2.033
23392 CCCCCCCC[CH]1OC[CH](CC)[CH](CCC)O1~    2.928
23393 CCCCCCCC[CH]1OCC(C)(C)[CH](O1)C(C)C~    2.928
23395 CCCCCCCCCC1OCC(C)(CCC)CO1~    2.928
23396 CCCCCCCCCCCC(=O)OCCC(C)C~    2.033
23397 CCCCCCCCCCCC1OCC(C)(C)CO1~    2.928
23398 CCCCCCSCCCCCCCCCCC(O)=O~    6.510
23399 CC(C)CO[CH]1OCCC[CH]1[CH](OCC(C)C)C(C)C~    5.883
23401 CCCCCCCCN(CCCCCCCC)C=O~    5.409
23402 CCCCCCCCCCCCCCNC(=O)[CH](C)O~    6.695
23403 CCCCCCCCCCCCCCCCOC(N)=O~    5.558
23404 CCCCCCCCCCCCCCOC(=O)N(C)C~    5.120
23406 CCCCCCCCCCC[CH](O)CN1CCOCC1~    9.562
23407 CC(C)(C)C[C](C)(O)CN(C[C](C)(O)CC(C)(C)C)C(S)=S~    7.562
23408 CCCCCCCCCCCCCCSC(=S)N(C)C~    2.333
23409 CCN(CC)CCCNC1=NC=NC(=N1)NCCCN(CC)CC~   14.213
23410 CC[N+](C)(CC)CCC[N+]1(C)C[CH]2CC=CC[CH]2C1~   17.562
23412 CC(C)(C)CC(C)(C)NC(=O)NC(C)(C)CC(C)(C)C~    7.032
23414 CCCCCCCCN(CCCCCCCC)C(N)=O~    7.032
23415 C[N+]1(CCC[N+]2(C)C[CH]3CCCC[CH]3C2)CCOCC1~   19.917
23417 CCCCCCCCCCCCCCCCSC(N)=N~    6.770
23418 CCCCCCCCCCCCCCSC(NC)=NC~    6.333
23419 CCCCCCCCCCCCSC(NCC)=NCC~    6.333
23420 CCCCN(CCCC)C(=S)N(CCCC)CCCC~    3.959
23423 CCCCCCCCC(OCCCC)OCCCC~    2.573
23425 CCCCCCCCCCCCCCC[CH](O)CS(O)(=O)=O~   10.368
23426 CCCCOCCOCCOCOCCOCCOCCCC~   10.793
23428 CCCCN(CCCC)CCCCCCCCCO~    7.152
23429 CCCCCCCCCCCCCCCCNC(=S)NN~    6.991
23430 C[N+]1(CCCCCC1)CCC[N+]2(C)CCCCCC2~   17.507
23431 CC[N+](C)(CC)CCC[N+]1(C)C[CH]2CCCC[CH]2C1~   17.507
23432 CCN(CC)CC(CN(CC)CC)N(CCO)CC(C)C~   14.253
23434 O=C1C=CC(=O)N1C2=CC=CC3=C2C4=CC=CC=C4C3=O~   11.387
23436 OC(=O)C1=C(C=CC=C1)C2=NC3=C(S2)N=C(S3)C4=C(C=CC=C4)C(O)=O~   21.197
23437 C1=CC2=C3N=C4C=CC5=NC=CC=C5C4=NC3=CC=C2N=C1~   15.343
23439 O=C1C2=C(C=CC=C2)C(=O)C3=C1C=CC4=C3C=CC=C4~    9.509
23442 O=C1CC(C2=C1C=CC=C2)=C3C(=O)C4=C(C=CC=C4)C3=O~   13.078
23444 O=C1C2C(C(=O)C3=C1C=CC=C3)C(=O)C4=CC=CC=C4C2=O~   15.198
23446 OC1=C(SC2=C(O)C3=C(OC2=O)C=CC=C3)C(=O)OC4=C1C=CC=C4~   14.180
23447 O=C1C2=CC=CC=C2C3=C1C=C(C=C3)N=CC4=CC=CS4~    8.173
23448 O=C1N(C(=O)C2=C1C=CC=C2)C3=C4C=CC=CC4=CC=C3~    8.289
23449 O=C1N(C2=CC3=C(C=CC=C3)C=C2)C(=O)C4=C1C=CC=C4~    8.289
23453 O=C1C(C2=NC3=C(C=CC=C3)C=C2)C(=O)C4=C1C=CC=C4~   13.213
23454 OC1=C(C(=O)C2=C1C=CC=C2)C3=CC=C4C=CC=CC4=N3~   14.757
23455 O=C1C=C(OC2=C1C=CC=C2)C3=NC4=C(C=CC=C4)C=C3~   11.336
23456 NC1=C2C=CC=CC2=C(O)C3=C1C(=O)C4=CC=CC=C4C3=O~   13.842
23458 OC1=C2N=CC=CC2=C(C=C1)N=C3C=CC(=O)C4=C3C=CC=N4~   18.068
23459 COC(=O)C1=C2NC3=C(C=CC=C3)C2=C(C#N)C(=C1C(=O)OC)C#N~   14.848
23461 C1=CC2=C(C=C1)C3=C(C=C2)C4=C(C=CC=C4)C=C3~    5.300
23464 N1C2=C(C=CC=C2)C3=CC4=C(C=C13)C5=CC=CC=C5N4~   10.604
23471 CC1=CC=C(C=C1N2C(=O)N(C2=O)C3=CC(=CC=C3C)N=C=O)N=C=O~   10.063
23472 CC1=C2C=CC=C3C4=CC=CC=C4C(=O)C(=C23)C=C1~    5.979
23473 OC1=C2C=CC=CC2=C3C=C4C=CC=CC4=CC3=C1~    9.282
23474 CC1=CC2=CC=CC3=C2C(=C1)C4=CC=CC=C4C3=O~    7.137
23475 O=C1C=C(C(=O)C=C1C2=CC=CC=C2)C3=CC=CC=C3~   11.611
23476 COC1=C2C=CC=C3C4=CC=CC=C4C(=O)C(=C23)C=C1~    7.206
23477 O=C1OC(=O)[CH]2[CH]1C3C4=C(C=CC=C4)C2C5=C3C=CC=C5~    7.614
23480 O=C1OC(=CC(=O)[CH]1C(=O)C2=CC=CC=C2)C3=CC=CC=C3~   12.010
23481 OC(=O)C1=C(C2C3=C(C=CC=C3)C1C4=C2C=CC=C4)C(O)=O~   14.536
23482 OC(=O)C(=CC1=C2C=CC=CC2=CC3=C1C=CC=C3)C(O)=O~   15.239
23483 OC(=O)C1=CC=CC2=CC=CC(=C12)C(=O)C3=CC=C(O)C=C3~   15.401
23484 O=C1C=C(OC2=CC=CC=C2)C(=O)C=C1OC3=CC=CC=C3~   10.142
23485 OC1=C(C(=O)C(=C(C1=O)C2=CC=CC=C2)O)C3=CC=CC=C3~    8.426
23486 OC(=O)C1=C(OC(=C1C(O)=O)C2=CC=CC=C2)C3=CC=CC=C3~   13.893
23487 OC(=O)[CH]1[CH]2C3=CC=CC=C3C(=O)[C]1(C(O)=O)C4=C2C=CC=C4~   16.983
23489 C1CC2=C3SC4=C(C=CC=C4)C3=CC5=C2C1=CC=C5~    6.241
23490 C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC=CC=C24~    5.724
23491 NC1=CC2=C(C=C1)C3=C(C=C2)C4=C(C=CC=C4)C=C3~    8.752
23493 OC1(C2=CC=CC=N2)C3=C(C=CC=C3)C4=CC=CC=C14~   12.190
23495 CC(=O)N1C2=C(SC3=C1C=CC4=C3C=CC=C4)C=CC=C2~   10.086
23496 OC1(C2=CC=CN=C2)C3=C(OC4=C1C=CC=C4)C=CC=C3~   12.735
23497 O=C1OC(=NC1=CC=CC2=CC=CC=C2)C3=CC=CC=C3~    6.415
23498 O=C([CH]1O[C](C=C1)(C#N)C2=CC=CC=C2)C3=CC=CC=C3~    6.910
23499 O=C(NC1C2=C(OC3=C1C=CC=C3)C=CC=C2)C4=CC=CO4~   11.503
23501 OC1=C(C=CC=C1)C(=O)CC(=O)C2=NC3=C(C=CC=C3)C=C2~   13.660
23502 CC(=O)N1C2=CC=CC=C2S(=O)(=O)C3=C1C=CC4=C3C=CC=C4~   12.186
23503 O=C(OC=C1N=C(CC2=CC=CC=C2)OC1=O)C3=CC=CC=C3~    7.471
23505 S1C2=C(C=CC=C2)N(C3=CC=CC=C3)C4=C1C=CC=C4~    6.845
23506 NC1=CC2=C(C=C1)N=C3C=CC(=O)C=C3N2C4=CC=CC=C4~   12.740
23507 N(N=CC1=C2C=CC=CC2=CC=C1)C3=NC4=C(S3)C=CC=C4~   11.554
23510 [O-][N+](=O)C1=CC(=C(NN(C2=CC=CC=C2)C3=CC=CC=C3)C(=C1)[N+]([O-])=O)[N+]([O-])=O~   11.088
23511 O=C1NC(=O)C(C(C2C(=O)NC(=O)NC2=O)C3=C4C=CC=CC4=NC=C3)C(=O)N1~   32.678
23514 C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3~    4.383
23515 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3~    4.498
23516 O=C1NC(=C[CH]([CH]1C#N)C2=CC=CC=C2)C3=CC=CC=C3~   13.351
23519 COC1=CC2=C(C=C1)N([CH](C=C2)C#N)C(=O)C3=CC=CC=C3~   12.785
23520 O=C1C=C(NC2=CC=CC=C2)C(=O)C=C1NC3=CC=CC=C3~   14.166
23521 [O-][N+](=O)C1=C(C=CC=C1)N2COC3=CC=C4C=CC=CC4=C3C2~    7.642
23522 [O-][N+](=O)C1=CC(=CC=C1)N2COC3=C(C2)C=CC4=C3C=CC=C4~    8.983
23523 [O-][N+](=O)C1=CC=C(C=C1)N2COC3=CC=C4C=CC=CC4=C3C2~    8.983
23524 [O-][N+](=O)C1=CC(=CC=C1)N2COC3=CC=C4C=CC=CC4=C3C2~    8.983
23526 NC(=O)[CH](CSC(=O)C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O~   16.821
23527 O=S(=O)(N=C1C=CC(C=C1)=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3~    5.854
23529 OC(=O)C=CC1=CC=C(C=C1)N=[N+]([O-])C2=CC=C(C=CC(O)=O)C=C2~   23.167
23530 OC(=O)C=CC(=O)NC1=CC=CC2=C(NC(=O)C=CC(O)=O)C=CC=C12~   23.177
23531 COC1=CC=C(C=C1)C(=O)C2=NON3O[C]23C(=O)C4=CC=C(OC)C=C4~   11.582
23532 COC(=O)[CH](CC1=CC(=CC=C1)[N+]([O-])=O)N2C(=O)C3=CC=CC=C3C2=O~   12.346
23535 COC(=O)C[CH](N1C(=O)C2=CC=CC=C2C1=O)C3=CC(=CC=C3)[N+]([O-])=O~   13.646
23536 CC1=CC(=C(C=C1)N=NC2=C(O)C(=CC3=C2C=CC=C3)C(O)=O)S(O)(=O)=O~   17.710
23537 OC(=O)[CH](CSCC1=CC=C(C=C1)[N+]([O-])=O)N2C(=O)C3=CC=CC=C3C2=O~   16.824
23538 [O-][N+](=O)C1=C(C=CC=C1)N(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3~    7.638
23539 [O-][N+](=O)C1=CC=C(C=C1)N(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3~    8.979
23541 C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=CC=CC=C3~    7.397
23543 OC1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=CC=CC=C3~   11.379
23544 OC1=CC=C(N=NC2=CC=CC=C2)C(=C1N=NC3=CC=CC=C3)O~   15.362
23545 [O-][N+](=O)C1=CC=C(NN=C(C2=CC=CC=C2)C3=CC=CC=C3)N=C1~   12.767
23546 CC(=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C2=C3C=CC=CC3=CC=C2~   10.742
23547 OC1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(O)(=O)=O~   17.710
23548 O=C(NC1=NC2=CC=CC=C2S1)OCCOC(=O)NC3=NC4=CC=CC=C4S3~   19.183
23549 [O-][N+](=O)C1=CC=C(C=C1)N=NC2=CC=C(NC(=O)OCC3=CC=CC=C3)O2~   13.724
23551 OS(=O)(=O)C1=CC(=C(NN(C2=CC=CC=C2)C3=CC=CC=C3)C(=C1)[N+]([O-])=O)[N+]([O-])=O~   15.014
23552 NC1=NC(=C2N=C(C3=CC=CC=C3)C(=NC2=N1)C4=CC=CC=C4)N~   15.280
23553 NC1=NC2=NC(=NC(=C2N=C1C3=CC=CC=C3)N)C4=CC=CC=C4~   18.943
23555 N=C(NN=C1C(=O)NC2=C1C=CC=C2)C(=N)NN=C3C(=O)NC4=C3C=CC=C4~   20.401
23556 O=C1C(CC2=C1C=CC=C2)=C3CCC4=C3C=CC=C4~    6.996
23557 CC1=CC2=C(C=CC=C2)C=C1C(=O)C3=CC=CC=C3~    6.680
23558 O=C1CCCC2=CC3=C(C=CC4=C3C=CC=C4)C=C12~    7.219
23559 OC1=CC(=CC=C1)C2=CC=C(C=C2)C3=CC=CC=C3~    8.480
23560 O=C1C2=C(C=CC=C2)C(=O)C3=C1C=C4CCCCC4=C3~    8.521
23562 OC(=O)C(C1=CC=CS1)(C2=CC=CC=C2)C3=CC=CC=C3~    9.804
23563 CC(=O)OC1=CC2=C3C=C(C=CC3=CC=C2C=C1)C(C)=O~    8.951
23564 OC(=O)[C](O)(C1=CC=CC=C1)C2=C3C=CC=CC3=CC=C2~   10.264
23565 O=S(=O)(OC1=CC=C(C=C1)C2=CC=CC=C2)C3=CC=CC=C3~    7.640
23567 COC1=CC2=C(C=C1)C(=CC(=C2C3=CC=CC=C3)C(O)=O)O~   14.301
23568 CC1=C(C(=CC(=O)O1)C)C(=O)OC2=CC3=C(C=CC=C3)C=C2~    7.388
23569 COC1=CC=CC(=C1)C2=CC3=C(OC2=O)C=C(OC(C)=O)C=C3~    9.656
23570 O[CH]1C2=CC=CC=C2[CH]3[CH](C(O)=O)[C]1(C(O)=O)C4=C3C=CC=C4~   18.516
23572 CC1=CC=C2C=C3C(=CC2=C1C)SC4=CC=CC=C34~    5.886
23573 CC1=CC=CC2=C1C(=C3SC4=CC=CC=C4C3=C2)C~    5.886
23574 CC1=C2C=CC3=C(C=CC=C3)C2=C[N+]4=CC=CC=C14~   15.351
23577 CN1C=C(C2=CC3=CC=CC=C3C2)C4=C1C=CC=C4~    6.604
23578 COC1=CC=C(C=C1)C=CC2=CC=C3C=CC=CC3=N2~    9.029
23581 COC1=C(C=CC=C1)C=CC2=NC3=C(C=CC=C3)C=C2~    9.029
23582 COC1=C(C=CC=C1)C=CC2=C3C=CC=CC3=NC=C2~    9.029
23583 CC1=CC=C(C=C1)N=CC2=C(O)C=CC3=C2C=CC=C3~    8.959
23584 COC1=CC(=CC=C1O)C=NC2=CC3=C(C=CC=C3)C=C2~   10.228
23585 COC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=CC=C3)C=C2~   11.151
23588 CC1=C(NC(=O)C2=CC3=C(C=CC=C3)C=C2O)C=CC=C1~   10.764
23589 O=C(NC1=C2C=CC=CC2=CC=C1)OCC3=CC=CC=C3~    9.764
23592 O=S(=O)(NC1=C(C=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~    7.747
23593 CCN1C(=O)C(=O)C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3~   11.842
23594 CCOC(=O)C1=CC(=C2C=C(C=CC2=N1)C3=CC=CC=C3)O~   13.328
23595 OC(=O)[CH](CC(=O)C1=CC=CC=C1)C2=CNC3=C2C=CC=C3~   14.889
23597 OC(=O)C1=CC=C(NCC2=C(O)C=CC3=CC=CC=C23)C=C1~   16.161
23600 COC(=O)[CH](CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O~    9.943
23601 OC(=O)[CH](CCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O~   12.324
23602 OC(=O)C1=C(C=CC=C1)C(=O)NC(CC2=CC=CC=C2)(C(O)=O)C(O)=O~   22.936
23603 NC1=C2C=CC=C3CCC(=C23)C=C1N=NC4=CC=CC=C4~    7.818
23608 [O-][N+](=O)C1=CC=C(C=C1)C(C2=CC=C(C=C2)[N+]([O-])=O)[N+]3=CC=CC=C3~   16.815
23609 [O-][N+](=O)C1=CC(=C(NS(=O)(=O)C2=CC=CC=C2)C=C1)NS(=O)(=O)C3=CC=CC=C3~   13.401
23611 CC(=O)NC1=CC=C(C=C1)N=NC2=C(O)C(=CC3=C2C=CC(=C3)S(O)(=O)=O)S(O)(=O)=O~   28.428
23612 CC(=O)NC1=C2C(=C(N=NC3=CC=CC=C3)C(=CC2=CC(=C1)S(O)(=O)=O)S(O)(=O)=O)O~   28.428
23613 CC(=O)NC1=CC=C(C=C1)N=NC2=C(C=C3C=C(C=C(O)C3=C2O)S(O)(=O)=O)S(O)(=O)=O~   32.411
23614 CC1=CC=C(NC2=C3C=NN(C4=CC=CC=C4)C3=NC=N2)C=C1~   15.815
23615 CC1=C(NC2=C3C=NN(C4=CC=CC=C4)C3=NC=N2)C=CC=C1~   15.815
23616 [O-][N+](=O)C1=CC=C(NNC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)N=C1~   18.735
23619 C1CC2=C(C=CC=C2)[CH]1C3=CC4=CC=CC=C4C3~    3.886
23620 C1=CC=C(C=C1)C=CC=NN=CC=CC2=CC=CC=C2~    4.690
23621 N(C1=CC=CC=C1)C2=CC=C(NC3=CC=CC=C3)C=C2~    9.688
23622 N(N(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~    7.646
23623 CC1=CC(=C(C=C1)N=NC2=C(O)C=CC3=C2C=CC=C3)C~    9.740
23624 O=C1N(CCC2=CC=CC=C2)CC3=C1NC4=CC=CC=C34~   13.162
23625 O=C(C[N+]1=C(C=CC=C1)C2=CC=CC=N2)C3=CC=CC=C3~   17.697
23626 O=C(C[N+]1=CC=NC=C1)C2=CC=C(C=C2)C3=CC=CC=C3~   15.196
23627 CSC1=NC(=CN1CC(=O)C2=CC=CC=C2)C3=CC=CC=C3~   10.622
23628 C[N+]1=C2C=CC=CC2=CC=C1C=CC3=CC(=CC=C3)[N+]([O-])=O~   14.876
23630 CN(C)C1=CC=C(C=C1)C2=CC(=C3C=CC=CC3=N2)C(O)=O~   13.772
23631 O=C1[CH](O[CH](N1CCC#N)C2=CC=CC=C2)C3=CC=CC=C3~   12.975
23633 O=C(NCC1=CC=CO1)NC2=CC(=CC=C2)C3=CC=CC=C3~   11.564
23635 COC1=C(O)C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C~   13.810
23636 COC(=O)[CH](CC1=CC=C(N)C=C1)N2C(=O)C3=CC=CC=C3C2=O~   13.394
23637 CC1=C(N2C(=O)C=CC2=O)C(=C(C)C(=C1C)N3C(=O)C=CC3=O)C~   15.733
23639 CC1=CC(=C(C=C1)N=NC2=C(O)C3=CC=CC(=C3C=C2)S(O)(=O)=O)C~   16.071
23640 CC1=CC(=C(C=C1)N=NC2=CC(=C3C=CC=CC3=C2O)S(O)(=O)=O)C~   16.071
23642 CCOC(=O)C(NC(=O)C1=CC=CC=C1)=CC2=C(C=CC=C2)[N+]([O-])=O~   13.224
23645 CCOC(=O)C1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)OCC)[N+]([O-])=O)[N+]([O-])=O~   12.327
23646 [O-][N+](=O)C1=CC=C(OC(=O)CCCCC(=O)OC2=CC=C(C=C2)[N+]([O-])=O)C=C1~   11.682
23649 CN1C(=O)N(C)C2=C(N=C(CC3=C4C=CC=CC4=CC=C3)N2)C1=O~   13.836
23650 O=C(NCC1=CC=CO1)NC2=CC=C(C=C2)N=NC3=CC=CC=C3~   13.012
23651 CN(C)C(=O)C1=CC=C(C=C1)N=NC2=C(O)N=C3C=CC=CC3=C2O~   22.395
23652 CC(=O)NC1=CC=C(C=C1)N=NC2=C3C=CC(=CC3=C(N)C=C2)S(O)(=O)=O~   21.567
23653 CC(=O)NC1=CC=C(C=C1)N=NC2=C3C(=CC=C2N)C=C(C=C3S(O)(=O)=O)S(O)(=O)=O~   27.896
23656 NC1=CC=C(C=C1)C(=NNC2=CC=C(C=N2)[N+]([O-])=O)C3=CC=C(N)C=C3~   19.670
23658 CC(=O)NC1=NC(=C2N=C(CN(C(C)=O)C3=CC=C(C=C3)C(O)=O)C=NC2=N1)O~   23.405
23659 [O-][N+](=O)C1=CC=CC(=C1)C=NNC(=O)CN(CC(=O)NN=CC2=CC=CC(=C2)[N+]([O-])=O)N=O~   19.664
23661 O=C1CCCC(=C1)C2=CC(=CC=C2)C3=CC=CC=C3~    7.084
23662 O=C1CCCC(=C1)C2=CC=C(C=C2)C3=CC=CC=C3~    7.084
23664 CC(C)C1=CC=C2C(=C1)C(=O)C(=O)C3=C2C=CC=C3C~    8.237
23665 C[CH]1[CH](C2C3=C(C=CC=C3)C1C4=C2C=CC=C4)C(O)=O~    8.827
23667 CC(C)(C)C1=CC2=C(C=C1)C(=O)C3=C(C=CC=C3)C2=O~    8.086
23671 CC(=O)C1=CC2=C(C=C1)C3=C(CC2)C=C(O)C(=C3)C(C)=O~   10.015
23673 CCO[C]1(OC(=CC1=O)C2=CC=CC=C2)C3=CC=CC=C3~    8.793
23674 CC(=O)OC1=C(CCOC2=CC=CC=C2)SC3=C1C=CC=C3~    7.662
23675 O=C(OCC1=CC=CC=C1)C=CC(=O)OCC2=CC=CC=C2~    9.044
23676 CCOC(=O)C(=CC1=CC2=C(OCO2)C=C1)C3=CC=CC=C3~    9.544
23677 CCOC1=CC(=C2C(=O)C3=CC=CC=C3C(=O)C2=C1)OCC~   10.708
23678 CC(=O)OC(C1=CC=CC=C1)=C(OC(C)=O)C2=CC=CC=C2~    7.355
23679 COC1=CC=C(C=C1)C(=O)CC(=O)CC(=O)C2=CC=CC=C2~   13.284
23680 COC1=C(OC)C(=C2C(=O)C(OC2=C1)=CC3=CC=CC=C3)OC~   10.277
23683 COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(C=O)C=C3OCOC3=C2~   14.936
23688 C[N+]1=C2C=CC=CC2=CC=C1C=CC3=CC=CC=C3~   12.472
23689 CC1=CC(=C(C)C=C1)NC2=CC3=C(C=CC=C3)C=C2~    6.903
23690 CCOC1=CC=C(NC2=C3C=CC=CC3=CC=C2)C=C1~    8.094
23691 COC1=CC=C(CCC2=NC3=C(C=CC=C3)C=C2)C=C1~    8.317
23692 COC1=CC=C(CCC2=C3C=CC=CC3=NC=C2)C=C1~    8.317
23693 COC1=CC(=C2C=C(CC3=CC=CC=C3)C=CC2=N1)C~    7.438
23695 CC1=CC=[N+](CC(=O)C2=CC3=C(C=CC=C3)C=C2)C=C1~   14.666
23696 CC1=CC=[N+](CC(=O)C2=C3C=CC=CC3=CC=C2)C=C1~   14.666
23697 CC1=CC=C[N+](=C1)CC(=O)C2=CC3=C(C=CC=C3)C=C2~   14.666
23699 CC1=[N+](CC(=O)C2=CC3=C(C=CC=C3)C=C2)C=CC=C1~   14.666
23700 CC1=[N+](CC(=O)C2=C3C=CC=CC3=CC=C2)C=CC=C1~   14.666
23701 CC1=CC2=CC=CC=C2C=[N+]1CC(=O)C3=CC=CC=C3~   14.666
23703 CC1=CC=C(NCC2=C(O)C=CC3=CC=CC=C23)C=C1~   11.423
23705 CC1=CC(=C(N)C=C1)CC2=C(O)C=CC3=CC=CC=C23~   11.721
23706 COC1=CC2=C(SC3=CC=C(C)C=C3)C=C(C)N=C2C=C1~    9.539
23709 CC1=CC(=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2)O~   15.548
23710 COC1=CC2=C(C)N=CC(=C2C=C1OC)C3=CC=CC=C3~    9.690
23711 COC1=CC2=CC=C(N=C2C=C1)[C](C)(O)C3=CC=CC=C3~   12.754
23713 CCC=CC(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2~   10.759
23714 CC1=CC(=C(O)C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2~   15.548
23716 CC1=CC=C(C=C1)C(=O)C[N+]2=C3C(=CC=CC3=CC=C2)O~   18.648
23717 COC1=CC2=CC=C[N+](=C2C=C1)CC(=O)C3=CC=CC=C3~   15.936
23718 CN1CCC2=CC3=C(OCO3)C4=C2[CH]1CC5=CC=CC=C45~   10.206
23720 CN(C)C(=CC(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2~   11.047
23721 COC1=CC2=CC=CC(=C2C=C1)CCN3C=CC=CC3=O~   10.812
23722 COC1=CC=C(NCC2=C(O)C=CC3=CC=CC=C23)C=C1~   12.693
23723 O=C1N([CH](CC12OCCO2)C3=CC=CC=C3)C4=CC=CC=C4~   10.893
23724 CCOC(=O)C1=CC2=C(N1)C=CC(=C2)OCC3=CC=CC=C3~   10.441
23725 CCOC(=O)NC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2~   11.903
23726 CCOC(=O)C(=O)CC1=C(NC(=O)C2=CC=CC=C2)C=CC=C1~   13.770
23727 CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=CC3=C(C=CC=C3)C2=O~   13.215
23728 COC(=O)[CH](CC(=O)C1=CC=CC=C1)[CH](C2=CC=CC=C2)[N+]([O-])=O~   11.721
23729 CCCCC(=O)C1=CC=C(OC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1~    9.666
23731 OCCN[CH](C(=O)C1=CC2=C(OCO2)C=C1)C3=CC4=C(OCO4)C=C3~   18.631
23732 C[N+]1=C(SC2=C1C=CC=C2)C=CC=CC3=CC=CC=C3~   12.636
23733 CN(C)C1=CC=C(C=C1)N=NC2=C3C=CC=CC3=CC=C2~    7.642
23735 C(C(CC1=CC=NC=C1)C2=CC=NC=C2)C3=CC=NC=C3~   12.815
23736 CN(C)C1=CC=C(C=C1)[CH](C#N)[CH](C#N)C2=CC=CC=C2~   11.759
23738 CN(NC(=O)NC1=C2C=CC=CC2=CC=C1)C3=CC=CC=C3~   12.032
23739 CC1=CC(=C2C=C(NC(=O)CC3=CC=CC=C3)C=CC2=N1)N~   16.606
23740 N=C1NC(=S)NC(=O)C1(CC2=CC=CC=C2)CC3=CC=CC=C3~   12.767
23742 CCOC(=O)[CH](N=CC1=CC=C(C=C1)[N+]([O-])=O)[CH](O)C2=CC=C(C=C2)[N+]([O-])=O~   14.821
23743 COC1=C(N)C=C(C)C(=C1)N=NC2=CC3=C(C=C(C=C3C=C2)S(O)(=O)=O)S(O)(=O)=O~   23.141
23744 CCNC1=CC=C(C=C1)N=NC2=C(C=C3C=C(C=C(O)C3=C2O)S(O)(=O)=O)S(O)(=O)=O~   29.457
23745 NC1=NC(=CC(=N1)SCC2=CC=CC=C2)SCC3=CC=CC=C3~    7.513
23746 C1CCC(=CC1)C2=CC=C(C=C2)C3=CC=CC=C3~    3.393
23748 C[CH]1[CH](C)C2C3=C(C=CC=C3)C1C4=C2C=CC=C4~    3.575
23749 CC(C)C1=CC2=C(C=C1)C3=CC=CC(=C3C=C2)C~    3.959
23750 CCC1=C2C=CC=CC2=C(CC)C3=C1C=CC=C3~    3.959
23751 C(CC1=CC=CC=C1)N2CC3=C(C2)C4=C(N3)C=CC=C4~   10.721
23752 COC1=CC=C(C=C1)C(=CC2=CC=C(C=C2)N(C)C)C#N~    9.587
23753 CC1=CC=[N+](CC(=NO)C2=CC3=C(C=CC=C3)C=C2)C=C1~   15.983
23754 C[CH]1CN(CC2=CC=CC=C2)C(=S)N(C1=O)C3=CC=CC=C3~    9.222
23755 O=C1SSC(=NCCC2=CC=CC=C2)N1CCC3=CC=CC=C3~    8.839
23756 O=C1N[CH](CC2=CC=CC=C2)C(=O)N[CH]1CC3=CC=CC=C3~   10.706
23757 O=C(N(N1CCCC1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3~   10.453
23758 O=C(N1CCN(CC1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3~   11.842
23760 CSCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3~   10.401
23761 CCOC(=O)C(NC(=O)C1=CC=CC=C1)=CC2=C(N)C=CC=C2~   14.272
23762 CCOC(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)OCC~    8.967
23764 OC(=O)[CH](CC1=CNC2=C1C=CC=C2)NS(=O)(=O)CC3=CC=CC=C3~   15.009
23767 COC1=CC(=CC=C1O)[CH](O)[C]2(NC(=O)NC2=O)C3=CC=C(O)C(=C3)OC~   25.726
23770 O=C(CSCC(=O)NN=CC1=CC=CC=C1)NN=CC2=CC=CC=C2~   14.873
23771 COC1=C(NC(=S)NC(=S)C(=S)NC(=S)NC2=C(OC)C=CC=C2)C=CC=C1~   15.024
23773 O=C1CC(=O)N(CCC2=CC=NC=C2)C(=O)N1CCC3=CC=NC=C3~   19.959
23774 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(N)C=C(C)N=C3C=C2~   19.876
23776 N=C(NC(=O)OCCOC(=O)NC(=N)C1=CC=CC=C1)C2=CC=CC=C2~   14.896
23777 OC1=C(C=CC=C1)C=NNC(=O)CSCC(=O)NN=CC2=C(O)C=CC=C2~   22.839
23778 CN(C)S(=O)(=O)C1=C(C=CC(=C1)C)N=NC2=C(O)C3=C(C=CC=C3)N=C2O~   20.072
23779 NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)NS(=O)(=O)C3=CC=C(N)C=C3~   17.900
23780 NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(NS(=O)(=O)C3=CC=C(N)C=C3)C=C2~   17.900
23782 COC1=CC(=C(C=C1)N=N[CH](C(C)=O)C(=O)NC2=C(C)C=CC=C2)[N+]([O-])=O~   16.770
23784 [O-][N+](=O)C1=CC(=C(CCCCCCC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1)[N+]([O-])=O~   12.319
23785 O=NN(CC(=O)NN=CC1=CC=CC=C1)CC(=O)NN=CC2=CC=CC=C2~   14.854
23786 OC1=C(C=CC=C1)C=NNC(=O)CN(CC(=O)NN=CC2=C(O)C=CC=C2)N=O~   22.821
23787 [O-][N+](=O)C1=CC=C(NC(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)[N+]([O-])=O)C=C1~   25.134
23788 O=C(CC1=CC=CC=C1)C2=CC3=C(CCCC3)C=C2~    6.126
23789 C[CH]1[CH](CO)C2C3=C(C=CC=C3)C1C4=C2C=CC=C4~    8.012
23790 CC1=CC(=C(C(=C1)C)C(=O)C=CC2=CC=CC=C2)C~    6.507
23791 CC(C)C1=CC2=CC=C3C(=CC=CC3=C2C=C1O)C~    7.939
23792 O=C1CCCCC1(C2=CC=CC=C2)C3=CC=CC=C3~    6.478
23794 OC(=O)C1=C(CC2=CC3=C(CCCC3)C=C2)C=CC=C1~    8.039
23796 C[C]12CCC3=C(C=CC4=C3C=CC(=C4)O)[CH]1CCC2=O~   10.567
23797 COC(=O)[C]1(C)CC1(C2=CC=CC=C2)C3=CC=CC=C3~    5.928
23798 OC[CH]1[CH](CO)C2C3=C(C=CC=C3)C1C4=C2C=CC=C4~    9.450
23800 C[CH]1O[CH]1C2=CC=C(C=C2)C3=CC=C(C=C3)[CH]4O[CH]4C~    8.126
23801 CC(=O)C1=CC=C(CCC2=CC=C(C=C2)C(C)=O)C=C1~    8.676
23802 CC(=O)CC[CH](C(=O)C1=CC=CC=C1)C2=CC=CC=C2~    9.027
23804 CC(=O)OC1(C)CC1(C2=CC=CC=C2)C3=CC=CC=C3~    5.928
23805 COC(=O)[CH](C(=C)CC1=CC=CC=C1)C2=CC=CC=C2~    5.629
23807 O=C(SCCCCSC(=O)C1=CC=CC=C1)C2=CC=CC=C2~    8.314
23810 CCCCOC(=O)C1=C(C=CC=C1)C(=O)C2=CC=CC=C2~    7.533
23811 CO[CH]1CC(=O)OC(C1)(C2=CC=CC=C2)C3=CC=CC=C3~    7.983
23812 O[CH]([CH]1COC(=O)[CH]1CC2=CC=CC=C2)C3=CC=CC=C3~   10.366
23814 CC[CH](CC1=CC=CC=C1)OC(=O)C2=C(C=CC=C2)C(O)=O~    9.879
23815 O=C(CCC(=O)OCC1=CC=CC=C1)OCC2=CC=CC=C2~    8.442
23816 CCOCCOC(=O)C1=C(C=CC=C1)C(=O)C2=CC=CC=C2~    9.588
23817 OC(=O)C(CCC1=CC=CC=C1)(CC2=CC=CC=C2)C(O)=O~   13.207
23819 OC(=O)[CH](CCC1=CC=CC=C1)CC2=C(C=CC=C2)C(O)=O~   12.775
23822 OC[CH]1[CH](O)C2=C(C=CC=C2)[CH]([CH]1C(O)=O)C3=CC=CC=C3~   14.265
23823 CC(=O)O[CH](CC1=CC=CC=C1)[CH](C(O)=O)C2=CC=CC=C2~   10.824
23824 COC1=CC(=C(C(=C1OC)O)C(=O)C=CC2=CC=CC=C2)OC~   11.202
23825 COC1=CC=C(C=CC(=O)C2=C(OC)C=C(OC)C=C2O)C=C1~   11.202
23828 COC1=CC(=C(OC)C=C1)C(=O)C(=O)C2=C(OC)C=CC(=C2)OC~   13.024
23829 COC1=CC=CC(=C1OC)C(=O)C(=O)C2=C(OC)C(=CC=C2)OC~   13.024
23830 COC1=CC(=C(C(=O)CC(=O)C2=C(OC)C=CC=C2)C(=C1)O)OC~   13.451
23831 COC1=CC=C(C=C1)[CH]([CH](C(O)=O)C2=CC=C(OC)C=C2)C(O)=O~   15.910
23832 CCOC(=O)C1=C(C)OC2=C1C=C3OC(=C(C(=O)OCC)C3=C2)C~    8.341
23833 CC(=O)OC1=C(C)C=C(C=C1)S(=O)(=O)C2=CC(=C(OC(C)=O)C=C2)C~   10.358
23834 CC1=CC=C(C=C1)S(=O)(=O)OCC#CCOS(=O)(=O)C2=CC=C(C)C=C2~   11.804
23835 COC1=CC(=CC(=C1OC)OC)C(=O)OCC2=CC3=C(OCO3)C=C2~   12.171
23837 COC1=CC=C(C=C1OC)C(=O)C2=C(C=C(OC)C(=C2)OC)C(O)=O~   15.320
23838 COC1=CC(=CC=C1O)C(=O)OCCOC(=O)C2=CC=C(O)C(=C2)OC~   18.085
23839 COC1=CC(=CC(=C1O)OC)C(=O)C(=O)C2=CC(=C(O)C(=C2)OC)OC~   20.987
23840 C1CCN(CC1)C2C3=C(C=CC=C3)C4=CC=CC=C24~    7.068
23842 CN1CCCC(=C1C2=CC=CC=C2)C3=CC=CC=C3~    6.928
23843 CC1=CC2=C(C=CC=C2)C=[N+]1CCC3=CC=CC=C3~   11.759
23844 CN(C)CCC=C1C2=C(C=CC=C2)C3=CC=CC=C13~    7.352
23847 CN1CC[CH](C1)C2(O)C3=C(C=CC=C3)C4=CC=CC=C24~   11.504
23848 O=C1CCCC[CH]1NC2=CC=C(C=C2)C3=CC=CC=C3~    8.352
23850 CCN1CCC(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3~    9.564
23852 O=C(O[CH]1CCN(C1)CC2=CC=CC=C2)C3=CC=CC=C3~    8.967
23854 O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)N3CCOCC3~   11.618
23855 COC1=CC2=C(CCN=C2C)C=C1OCC3=CC=CC=C3~    7.146
23857 CC(C)CC(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2~   10.429
23859 COC1=CC=C(C=C1)C(=O)CN2CCCC3=C2C=CC=C3~    8.060
23862 CCN(CC)C(=O)C1=C(C=CC=C1)C2=C(C=CC=C2)C(O)=O~   13.536
23864 CCOC(=O)CNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~   10.996
23865 CC(C)C1=CC(=C(C)C=C1O)N=CC2=CC3=C(OCO3)C=C2~   10.593
23869 CCCC1=C(NC(=O)CC2=CC=CC=C2)C=C3OCOC3=C1~   11.947
23870 CC(C)C1=CC=C(C)C(=C1)NC(=O)C2=C(C=CC=C2)C(O)=O~   13.277
23871 COC1=CC=C2C[CH]3N(C)CCC4=CC(=CC(=C34)C2=C1O)O~   16.465
23872 COC(=O)N[C]1(CCCOC2=C1C=CC=C2)C3=CC=CC=C3~   10.585
23873 OC(=O)[CH](CSCC1=CC=CC=C1)NC(=O)CC2=CC=CC=C2~   15.474
23874 C[CH](CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)OS(C)(=O)=O~   10.593
23875 CO[CH](C(=O)N[CH](CC1=CC=CC=C1)C(O)=O)C2=CC=CC=C2~   14.583
23876 OCCN(CCO)C(=O)C1=C(C=CC=C1)C(=O)C2=CC=CC=C2~   17.042
23877 COC1=C(OC)C=C(C=C1)C(C#N)C2=CC=C(OC)C(=C2)OC~   11.613
23878 N[CH](CC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2~   11.130
23879 OC[CH](NC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2~   14.883
23880 OCCN[CH]([CH](O)C1=CC2=C(OCO2)C=C1)C3=CC4=C(OCO4)C=C3~   18.462
23881 COC1=CC=C(C=C1)C(=CC2=CC(=C(OC)C(=C2)OC)OC)[N+]([O-])=O~   11.719
23882 C[N+](C)(CC1=CC=C(C=C1)C#N)CC2=CC=C(C=C2)C#N~   18.796
23883 CN1CCN(CC1)C(=O)N2C3=C(SC4=C2C=CC=C4)C=CC=C3~   13.416
23885 CC(=O)N(C(C)=O)C1=C(C)C=C(C=C1)N=NC2=C(C)C=CC=C2~    9.007
23886 CCOC1=CC=C(C=NNC2=NC3=CC=CC=C3S2)C=C1OCC~   12.754
23887 CN(C)C(=N)NC(=N)NC1=C2C=CC=CC2=C3C=CC=CC3=C1~   17.396
23889 C[CH](C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)[N+]3=CC=CC=C3~   20.857
23890 NC1=NC(=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=N1)SCC(=O)C4=CC=CC=C4~   22.225
23891 CC1(CC(C)(C1)C2=CC=CC=C2)C3=CC=CC=C3~    3.059
23892 CC1(C)C[C](C)(C2=CC=CC=C2)C3=C1C=CC=C3~    3.140
23893 C1CCN(C1)CCN2C3=CC=CC=C3C4=CC=CC=C24~    8.416
23894 N#CCN(CCC1=CC=CC=C1)CCC2=CC=CC=C2~    9.759
23895 C1CN(CCC2=CC=CC=C2)C(=N1)CC3=CC=CC=C3~    7.914
23896 C[CH]1CN=C(COC2=C(CC3=CC=CC=C3)C=CC=C2)N1~    9.484
23898 COC1=CC=C(NCCCN2C=CC3=C2C=CC=C3)C=C1~    9.951
23899 CN(C)CC1=CNC2=C1C=C(OCC3=CC=CC=C3)C=C2~   11.636
23900 CN1CCN(CC1)C2C3=C(OC4=C2C=CC=C4)C=CC=C3~   11.164
23901 O=S1C2=C(C=CC=C2)N(CCN3CCCC3)C4=C1C=CC=C4~   13.735
23902 CN(C)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1~   13.538
23903 OC(=O)CNS(=O)(=O)C1=CC=C(OCCOC2=CC=C(C=C2)S(=O)(=O)NCC(O)=O)C=C1~   20.924
23904 C[CH](CCN=CC1=C(O)C=CC=C1)N=CC2=C(O)C=CC=C2~   13.277
23906 COC1=CC=C(C=C1)C=NCCN=CC2=CC=C(OC)C=C2~    8.015
23907 CC(=NCCN=C(C)C1=C(O)C=CC=C1)C2=C(O)C=CC=C2~   13.277
23909 CCN(CC)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(O)=O~   10.256
23910 CCN(CC)CCN1C(=O)C2=C3C(=CC=C2)C=CC=C3C1=O~   11.595
23911 CN(C(=O)CCC(=O)N(C)C1=CC=CC=C1)C2=CC=CC=C2~    9.340
23912 CC[CH](CO)NC(=O)C1=CC=C(C=CC2=CC=CC=C2)N=C1~   16.903
23914 [O-][N+]1(CCCC1)CCN2C3=C(C=CC=C3)S(=O)C4=C2C=CC=C4~   20.833
23915 CC1=C2SC3=CC=CC=C3C(=O)C2=C(NCCNCCO)C=C1~   18.194
23916 CCC(=O)NC1=CC=C(SC2=CC=C(NC(=O)CC)C=C2)C=C1~   12.939
23917 COC1=CC(=CC=C1O)C=NC2=CC=C(C=C2)N3CCOCC3~   13.180
23919 CCOC1=C(OCC)C=C(C=C1)C=NNC(=O)C2=C(O)C=CC=C2~   12.413
23920 CCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NC(C)=O)C=C2~   15.039
23922 [O-][N+](=O)C1=CC=C(OCCCCCCOC2=CC=C(C=C2)[N+]([O-])=O)C=C1~   10.053
23923 C[C]12CC[CH]3[CH](CCC4=C(C(=C(C=C34)[N+]([O-])=O)O)[N+]([O-])=O)[CH]1CCC2=O~   10.728
23924 CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NC(=O)OCC)C=C2~   13.943
23925 CC(=O)NS(=O)(=O)C1=CC=C(OCCOC2=CC=C(C=C2)S(=O)(=O)NC(C)=O)C=C1~   15.728
23926 C1CCN(C1)CCN2C3=C(SC4=C2C=CC=C4)C=CC=C3~    9.536
23927 CN(C)C1=CC=C(C=C1)C=CC2=[N+](C)C3=C(S2)C=CC=C3~   14.536
23928 OC1=CC=NC2=C1C3=NC=CC(=C3C=C2)NCCN4CCOCC4~   22.495
23929 O=C(NC1=CC=CC=C1)N2CCN(CC2)C(=O)NC3=CC=CC=C3~   20.326
23930 C[CH]1CN1C(=O)NC2=CC=CC3=C(NC(=O)N4C[CH]4C)C=CC=C23~   20.433
23931 OC(=O)[CH](CC1=CC=C(OCCC#N)C=C1)N(CCC#N)CCC#N~   20.241
23932 CCN(CC)C1=CC=C(C=C1)C=NNC2=NC3=CC=CC=C3S2~   12.097
23933 C1CN=C(N1)SCC2=C3C=CC=C(CSC4=NCCN4)C3=CC=C2~   17.503
23934 S=C(NC1=CC=CC=C1)N2CCN(CC2)C(=S)NC3=CC=CC=C3~   11.854
23935 CC1=CC=C(C=C1)C=NNC(=N)C(=N)NN=CC2=CC=C(C)C=C2~   13.277
23936 N=C(NN=CCC1=CC=CC=C1)C(=N)NN=CCC2=CC=CC=C2~   13.116
23937 COC1=CC=C(C=C1)C=NNC(=N)C(=N)NN=CC2=CC=C(OC)C=C2~   15.818
23939 COC1=CC=CC(=C1O)C=NNC(=N)C(=N)NN=CC2=C(O)C(=CC=C2)OC~   23.783
23940 O=C(NNC(=O)C1=CC=NC=C1)OCCOCCOC(=O)NNC(=O)C2=CC=NC=C2~   29.068
23945 CC[S+](CC)CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2~    7.564
23946 CC(C)(C)OC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~    5.573
23948 CCC(C1=CC=C(O)C=C1)=C(CC)C2=CC=C(O)C=C2~   11.237
23951 COC1=C(C=C(C=C1)C(C)(C)C)C(=O)C2=CC=CC=C2~    6.527
23952 CCCC[CH](C(O)=O)C1=CC=C(C=C1)C2=CC=CC=C2~    7.979
23953 CCC(CC)=C(C1=CC=C(O)C=C1)C2=CC=C(O)C=C2~   11.237
23955 CC[C](OC)(C(C)=O)C1=CC=C(C=C1)C2=CC=CC=C2~    7.348
23957 CCC1(O)C2=C(C=CC=C2)C(O)(CC)C3=C1C=CC=C3~    9.094
23958 COC1(C)C2=C(C=CC=C2)C(C)(OC)C3=C1C=CC=C3~    7.329
23962 CC1(C)C[C](C)(C2=CC=C(O)C=C2)C3=C(O1)C=CC=C3~    8.393
23963 C[C]12CC[CH]3[CH](C=CC4=C3C=CC(=C4)O)[CH]1CCC2=O~    9.804
23964 OC1=CC=C(C=C1)C2(CCCCC2)C3=CC=C(O)C=C3~   11.025
23965 COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(C)(C)C~    5.708
23966 CCC(C)(C)C1=CC=C(OC2=CC=CC(=C2)C(O)=O)C=C1~    8.090
23968 COC(OC)([CH](OC(C)=O)C1=CC=CC=C1)C2=CC=CC=C2~    8.983
23970 CCOC(=O)C(C)(C(=O)OCC)C1=C2C=CC=CC2=CC=C1~    8.114
23973 COC1=C(OC)C=C(CC(=O)C2=CC=C(OC)C(=C2)OC)C=C1~   11.013
23974 CC1=CC=C(C=C1)S(=O)(=O)[CH](CCS(C)(=O)=O)C(=O)C2=CC=CC=C2~   13.562
23975 COC1=CC=CC(=C1OC)[CH](O)C(=O)C2=C(OC)C(=CC=C2)OC~   11.821
23977 C1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3~    6.609
23978 CCN1CCC(C1)(C2=CC=CC=C2)C3=CC=CC=C3~    6.609
23979 C[CH]1CC(CN1C)(C2=CC=CC=C2)C3=CC=CC=C3~    6.609
23980 C1CN(CCC1C2=CC=CC=C2)CC3=CC=CC=C3~    6.609
23983 C[N+](C)(C)CC1=C2C=CC=CC2=C3C=CC=CC3=C1~   15.693
23984 CCCC(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2~    9.208
23985 CC(C)C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2~    9.208
23986 CN(C)C1=CC=C(C[CH]2CC3=C(C=CC=C3)[CH]2O)C=C1~    9.622
23987 O=C(CCN1CCCCC1)C2=CC3=C(C=CC=C3)C=C2~    9.187
23991 CCC1=CC2=C(NC(C)=O)C=C3CCCCC3=C2C=C1~    9.078
23992 CC(C)C1=CC(=C(C)C=C1O)N=CC2=CC=C(C)C=C2~    7.614
23993 CC(C)C1=CC(=C(C)C=C1O)N=CCC2=CC=CC=C2~    7.535
23994 CN(C)C[CH](C1=CC=C(C)C=C1)C(=O)C2=CC=CC=C2~    9.240
23995 CCN(CC)[CH](C1=CC=CC=C1)C(=O)C2=CC=CC=C2~    7.860
23996 C[N+]1(CCC2=C(C1)C=CC=C2)CC(=O)C3=CC=CC=C3~   16.561
23997 C1CN(CCO1)[CH](CC2=CC=CC=C2)C3=CC=CC=C3~    8.666
23999 CC(=O)NC1=CC=C(C=C1)C(C)(C)C2=CC=C(C)C=C2~    8.971
24000 CN(C)C[CH](C(=O)CC1=CC=CC=C1)C2=CC=CC=C2~    9.672
24001 CN1CC[C](O)([CH](C1)C2=CC=CC=C2)C3=CC=CC=C3~   11.047
24002 CN1CC[CH](C1)OC(C2=CC=CC=C2)C3=CC=CC=C3~    8.666
24003 C1CN(CCO1)CC(C2=CC=CC=C2)C3=CC=CC=C3~    8.666
24004 C1CCC(CC1)N2COC3=CC=C4C=CC=CC4=C3C2~    6.688
24005 CC1=CC(=CC(=C1O)C=NC2=CC=CC=C2)C(C)(C)C~    7.535
24006 CN1[CH](C[CH](O)C[CH]1C2=CC=CC=C2)C3=CC=CC=C3~   11.047
24007 COC1=CC2=C(C=C1)[C]3(C)CCC[C](C)(C#N)[CH]3CC2=O~    9.426
24009 CN(C)CCC(C(O)=O)(C1=CC=CC=C1)C2=CC=CC=C2~   11.506
24010 CN(C)CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~    9.124
24011 COC1=CC=C(C=C1)C=NC2=C(C)C=C(O)C(=C2)C(C)C~    8.886
24012 COC1=C(C=CC=C1)C=NC2=C(C)C=C(O)C(=C2)C(C)C~    8.886
24013 CCN(CCO)[CH](C(=O)C1=CC=CC=C1)C2=CC=CC=C2~   12.297
24014 COC1=CC=C(C=C1)C(=O)[CH](CN(C)C)C2=CC=CC=C2~   10.511
24019 C[CH](O)CCN[CH](C(=O)C1=CC=CC=C1)C2=CC=CC=C2~   12.516
24020 CC(=O)[CH](N(CCO)CC1=CC=CC=C1)C2=CC=CC=C2~   12.810
24021 CC(=O)NCCC1=CC(=C(C)C=C1)OCC2=CC=CC=C2~   10.857
24022 O=S(=O)(C(C1=CC=CC=C1)C2=CC=CC=C2)N3CCCCC3~    7.164
24025 CN(C)CCOC(=O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2~    9.932
24027 O=C1[CH]2[CH]3CC[CH](O3)[CH]2C(=O)N1CCCCC4=CC=CC=C4~   11.152
24028 OCCN(C[CH]1COC2=C(O1)C=CC=C2)CC3=CC=CC=C3~   13.670
24030 OCCN(CCO)[CH](C1=CC=CC=C1)C(=O)C2=CC=CC=C2~   13.733
24031 COC1=CC=C(NC(=O)OC2=C(C=CC(=C2)C)C(C)C)C=C1~    8.991
24032 C[CH](O)CN[CH](CC1=CC=CC=C1)C2=CC3=C(OCO3)C=C2~   13.967
24033 COC1=C2O[CH]3[CH](O)CC=C4[CH]5CC(=C2[C]34CCN5C)C=C1~   11.391
24034 CC[CH](CN1C(=O)[CH]2[CH]3CC[CH](O3)[CH]2C1=O)C4=CC=CC=C4~   11.152
24036 COC1=CC=C(C[CH](N)C(=O)OCCC2=CC=CC=C2)C=C1~    9.611
24039 C[C]12CC[CH]3[CH](CCC4=C3C=CC(=C4[N+]([O-])=O)O)[CH]1CCC2=O~    8.324
24042 COC1=CC=C(C=C1)[CH](NCCO)C(=O)C2=CC=C(OC)C=C2~   15.218
24043 CCOC1=CC=C(NC(=O)C2=CC(=C(OC)C(=C2)OC)OC)C=C1~   13.701
24045 COC1=CC=C(CC(=NO)C2=CC(=C(OC)C=C2)OC)C=C1OC~   12.329
24046 COC1=C(C=C(C=C1)C=NC2=C(C)C=C(O)C(=C2)C(C)C)S(O)(=O)=O~   15.217
24047 NC1=NC(=NC(=N1)N)CCC(CCC2=NC(=NC(=N2)N)N)(C#N)C3=CC=CC=C3~   24.857
24048 N=C(N1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3~   11.684
24050 CN1CCN(CC1)C(=O)NC2=CC(=CC=C2)C3=CC=CC=C3~   13.666
24052 COC1=CC2=C(NCCNCCO)C3=C(C=CC=C3)N=C2C=C1~   19.348
24053 CCN(CC)C1=CC=C(C=C1)N=C2C=CC(=O)C=C2NC(C)=O~   14.440
24055 C[CH]1CN1C(=O)C2=CC(=CC(=C2)C(=O)N3C[CH]3C)C(=O)N4C[CH]4C~   16.876
24056 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=C(C)C=C(C)C=C2~   12.772
24057 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=CC=C2N)NC(=O)CCC(O)=O~   19.597
24058 CN1CCN(CC1)C(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3~   15.114
24059 CC1=CC=C(CNC2=C3C=NN([CH]4CCCCO4)C3=NC=N2)C=C1~   15.359
24060 NC1=NC2=C(N=CN2[CH]3O[CH](CO)[CH](O)[CH]3O)C(=N1)SCCC4=CC=CC=C4~   19.319
24062 CC1=CC(=C(C(=C1)C)C2=C(C)C=C(C)C=C2C)C~    3.127
24063 CC(C)(C1=CC=CC=C1)C(C)(C)C2=CC=CC=C2~    2.703
24064 C(CCCC1=CC=CC=C1)CCC2=CC=CC=C2~    2.703
24065 CN1C(=O)N(C)C2=C(N(C)C(=N2)N(CCN(N=O)C3=NC4=C(N3C)C(=O)N(C)C(=O)N4C)N=O)C1=O~   28.932
24067 CNC(=NC(C)C)C(C1=CC=CC=C1)C2=CC=CC=C2~    7.777
24070 C1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3~   10.161
24072 C1CCN(CC1)C[CH](OC2=CC=CC=N2)C3=CC=CC=C3~    9.680
24074 COC1=C(C=CC=C1)N2CCN(CC2)CC3=CC=CC=C3~    9.924
24075 C(CN1CCN(CC1)C2=CC=CC=C2)OC3=CC=CC=C3~    9.845
24076 CC(C)C1=CC(=NC2=CC=C(C=C2)N(C)C)C(=CC1=O)C~    7.893
24078 CCN(CC)C1=CC=C(C=C1)C=NC2=CC=C(OC)C=C2~    6.788
24082 O=C(N1CCOCC1)C2=CC=[N+](CCC3=CC=CC=C3)C=C2~   18.660
24083 CN(C)C1=CC=C(C=C1)C(=O)[CH](NCCO)C2=CC=CC=C2~   14.561
24084 COC1=C(NC(=O)NC2=CC(=CC=C2C)C(C)C)C=CC=C1~   10.851
24085 CCCCCC1=CC=[N+](CC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1~   15.567
24086 CCN(CC)C1=CC=CC(=C1)OC(=O)NC2=CC=C(OC)C=C2~   10.873
24087 CCOC(=O)N1CCN(CC1)CC2=C(O)C=CC3=CC=CC=C23~   16.220
24088 COC1=CC=C(NC(=O)NC2=CC(=C(O)C=C2C)C(C)C)C=C1~   14.833
24090 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C)C=C3~   10.397
24094 CCOC(=O)C(CC1=CNC2=C1C=CC=C2)(NC(C)=O)C(=O)OCC~   16.064
24095 CC(C)[CH](NC(=O)[CH](C(C)C)N1C(=O)C2=CC=CC=C2C1=O)C(O)=O~   15.917
24096 COC1=C(OC)C(=CC(=C1)N=NC2=CC(=C(OC)C(=C2)OC)OC)OC~   12.201
24097 C[C]12CC[CH]3[CH](CCC4=C(C(=C(C=C34)[N+]([O-])=O)O)[N+]([O-])=O)[CH]1CC[CH]2O~   11.747
24098 CC1=C(C=CC=C1)N2CCN(CC2)CSC3=CC=CC=C3~    7.562
24101 CC1=CC=C(SCN2CCN(CC2)C3=CC=CC=C3)C=C1~    7.562
24102 C1CN(CCN1CSC2=CC=CC=C2)CSC3=CC=CC=C3~    7.979
24103 NC(=N)CC1=CC=C(CCC2=CC=C(CC(N)=N)C=C2)C=C1~   13.886
24104 O=C1C(CCCC1(CCC#N)CCC#N)(CCC#N)CCC#N~   16.836
24105 O=C(C[N+]12CN3CN(CN(C3)C1)C2)C4=CC5=C(C=CC=C5)C=C4~   12.516
24106 O=C(CCSCCC(=O)NNC1=CC=CC=C1)NNC2=CC=CC=C2~   18.570
24107 CN1C(=O)N(C)C2=C(N(C)C(=N2)OCCCCC3=CC=CC=C3)C1=O~   12.398
24108 CN1C(=O)N(C)C2=C(N=C(COC3=CC=C(C=C3)C(C)(C)C)N2)C1=O~   13.684
24109 CCCCC1=CC(=C2C=CC=CC2=N1)C(=O)OCC(C)=NNC(N)=O~   15.573
24110 OC[CH](O)[CH](O)[CH](O)C(C=NNC1=CC=CC=C1)=NNC2=CC=CC=C2~   17.585
24111 OC(=O)CNCNC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NCNCC(O)=O)C=C2~   22.772
24112 CC1=CC2=C(C=C1C)N(C[CH](O)[CH](O)[CH](O)[CH](O)CO)C3=NC(=O)NC(=O)C3=N2~   19.759
24113 NC1=CC=C(C=C1)S(=O)(=O)N[CH](CSSC[CH](NS(=O)(=O)C2=CC=C(N)C=C2)C(O)=O)C(O)=O~   27.031
24114 N=C(NC1=CC=CC=C1)SCCCCSC(=N)NC2=CC=CC=C2~   16.245
24115 CN1C(=O)N(C)C2=C(N(C)C(=N2)CCC3=NC4=C(N3C)C(=O)N(C)C(=O)N4C)C1=O~   22.752
24117 CN1C(=O)N(C)C2=C(N=C(CCCC3=NC4=C(N3C)C(=O)N(C)C(=O)N4C)N2)C1=O~   23.959
24118 CN1C(=O)N(C)C2=C(N(CCCCN3C=NC4=C3C(=O)N(C)C(=O)N4C)C=N2)C1=O~   22.590
24119 CCC(CC)([CH](O)C1=CC=CC=C1)C2=CC=CC=C2~    7.140
24121 C[C]12CC[CH]3[CH](CCC4=C3C=CC=C4)[CH]1CCC2=O~    5.438
24122 CC[CH]([CH](CC)C1=CC=C(O)C=C1)C2=CC=CC=C2~    6.686
24123 CC(C)CCC(O)(C1=CC=CC=C1)C2=CC=CC=C2~    7.140
24124 O[CH](COS(=O)(=O)C1=CC=CC=C1)[CH](O)[CH](O)[CH](O)COS(=O)(=O)C2=CC=CC=C2~   19.187
24125 CC(=O)OCC1=C[CH]2OC(=O)C3=CO[CH](O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH]1[CH]23~   20.728
24126 COC(=O)OC[CH]1O[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OS(=O)(=O)C2=CC=C(C)C=C2~   16.190
24127 CCCC1=CC(=CC=C1O)C2=CC=C(O)C(=C2)CCC~   10.772
24128 C(CCOCC1=CC=CC=C1)COCC2=CC=CC=C2~    6.812
24129 COC1=CC=C(C=C1)C(C(C)C)C2=CC=C(OC)C=C2~    5.406
24130 C[C]12CC[CH]3[CH](CCC4=C3C=CC(=C4)O)[CH]1CCC2=O~    9.420
24133 OC1=CC=C(CCCCCCC2=CC=C(O)C=C2)C=C1~   10.670
24134 CC[CH]([CH](CC)C1=CC(=C(O)C=C1)O)C2=CC=CC=C2~   10.670
24137 CC(C)CCS(=O)(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~    6.900
24138 CC(C)C1=CC(=C(SC2=C(O)C=C(C=C2)C(C)C)C=C1)O~   11.889
24139 OC1=CC=C(SCCCCCCSC2=CC=C(O)C=C2)C=C1~   13.827
24140 C[C]12CC[CH]3[CH](CCC4=C3C=CC(=C4)O)[CH]1CCC(=O)O2~    8.873
24141 CC[CH]([CH](CC)C1=CC(=C(O)C=C1)O)C2=CC=C(O)C=C2~   14.652
24142 CC[CH]([CH](CC)C1=CC(=C(O)C(=C1)O)O)C2=CC=CC=C2~   14.652
24144 CCCCCC[C](C)(OC(=O)C1=C(C=CC=C1)C(O)=O)C#C~    8.955
24146 CC[CH]([CH](CC)C1=CC(=C(O)C=C1)O)C2=CC(=C(O)C=C2)O~   18.635
24147 CC[C](O)(C1=CC=C(O)C=C1)[C](O)(CC)C2=CC=C(O)C=C2~   16.542
24150 C[C]12CC[CH]3[CH](CCC4=C3C=CC(=C4)OS(O)(=O)=O)[CH]1CCC2=O~   11.690
24151 CCOC1=CC(=CC=C1O)[CH](O)[CH](O)C2=CC=C(O)C(=C2)OCC~   19.245
24152 COC1=C(OC)C(=C(C=C1)C2=C(OC)C(=C(OC)C=C2)OC)OC~   10.752
24153 OC[CH](O)[CH](O)[CH](O)[CH](O)C(C1=CC=C(O)C=C1)C2=CC=C(O)C=C2~   20.854
24154 CC(=O)O[CH]1CO[CH](OCC2=CC=CC=C2)[CH](OC(C)=O)[CH]1OC(C)=O~   14.145
24155 CCOC(=O)[CH](C)OC(=O)C1=C(C=CC=C1)C(=O)O[CH](C)C(=O)OCC~    9.706
24156 CO[CH]1O[CH]2CO[CH](O[CH]2[CH](OC(C)=O)[CH]1OC(C)=O)C3=CC=CC=C3~   15.740
24158 CCCC[CH](CC)C=CC1=NC2=C(C=CC=C2)C=C1~    5.519
24160 CC(C)[CH](N)CC(C1=CC=CC=C1)C2=CC=CC=C2~    6.690
24161 CN(C)[CH](CC1=CC(=CC=C1)C)C2=CC(=CC=C2)C~    6.415
24163 CC(C)CN[CH](CC1=CC=CC=C1)C2=CC=CC=C2~    6.472
24164 CCCCCC1=CC=[N+](C=C1)C=CC2=CC=CC=C2~   10.863
24166 CC(C)C[CH](C)N=C(C)C1=CC2=C(C=CC=C2)C=C1~    3.680
24167 COC1=C(C[CH](C)N(C)CC2=CC=CC=C2)C=CC=C1~    7.606
24169 C[CH](C1=CC=CC=C1)C2=C(OCCN(C)C)C=CC=C2~    7.606
24170 CCCCCC1=CC=[N+](CC(=O)C2=CC=CC=C2)C=C1~   13.163
24171 OC1=C2C=CC=CC2=NC=C1CCCC3CCCCC3~    9.474
24174 CCN(CC)CC1=CC(=CC=C1O)CC2=CC=CC=C2~   10.317
24175 O[CH](CCN1CCCCC1)C2=CC3=C(C=CC=C3)C=C2~   10.719
24176 CCCCOC1=CC=C(C=C1)[CH](N)CC2=CC=CC=C2~    8.042
24180 CCN(CC)CCOC1=CC=C(C=C1)C2=CC=CC=C2~    7.547
24181 CCN(CC)[CH]([CH](O)C1=CC=CC=C1)C2=CC=CC=C2~   10.690
24183 CC1=CC(=C(C(=C1)C)C(=O)CCC[N+]2=CC=CC=C2)C~   13.323
24184 CC(C)(CO)N[CH](CC1=CC=CC=C1)C2=CC=CC=C2~   10.910
24185 COC1=CC=C(C=C1)[CH](CC2=CC=CC=C2)NC(C)C~    7.824
24186 C[CH](CO)N[CH](CC1=CC=CC=C1)C2=CC=C(C)C=C2~   10.991
24187 CCN(CCO)[CH](CC1=CC=CC=C1)C2=CC=CC=C2~   10.690
24188 C[CH](C(=O)C1=CC=CC=C1)[N+](C)(C)CC2=CC=CC=C2~   16.125
24189 CN(C)CC[C](O)(CC1=CC=CC=C1)C2=CC=CC=C2~   10.690
24190 OCCN(CCC1=CC=CC=C1)CCC2=CC=CC=C2~   10.690
24193 OC1=C(CCCC2CCCCC2)C(=C3C=CC=CC3=N1)O~   13.456
24195 CCN(CC)CCC(=O)C1=C2C=CC=CC2=C(OC)C=C1~   10.182
24196 COC1=C(OC)C=C(C[CH](C)NCC2=CC=CC=C2)C=C1~    9.175
24197 OCCN(CCO)[CH](CC1=CC=CC=C1)C2=CC=CC=C2~   12.128
24198 CCN[CH](CC1=CC=C(OC)C=C1)C2=CC=C(OC)C=C2~    9.175
24201 COC1=CC=C(C=C1)[CH](CC2=CC=CC=C2)N[CH](C)CO~   12.260
24203 CN(C)[CH](CC1=CC=CC=C1)C2=CC=C(OCCO)C=C2~   12.042
24205 C[CH](O)CCN[CH]([CH](O)C1=CC=CC=C1)C2=CC=CC=C2~   12.347
24207 CN(CCCCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C)C=C2~    6.373
24208 CCN(CC)CCOC(=O)COC1=CC2=C(C=CC=C2)C=C1~    9.216
24209 OCCN[CH](CC1=CC=CC=C1)C2=C(OCCO)C=CC=C2~   13.697
24210 COC1=CC=CC(=C1OC)[CH](CC2=CC=CC=C2)NCCO~   13.613
24211 CN[CH](CC1=CC=CC=C1)C2=CC(=C(OC)C(=C2)OC)OC~   10.526
24212 COC1=CC=C(C=C1)[CH](N)CCC2=C(OC)C(=CC=C2)OC~   10.745
24213 COC1=CC=C2C[CH]3[CH]4CCC(=O)C[C]4(CCN3C)C2=C1O~   14.322
24214 OCC(CO)(CO)N[CH](CC1=CC=CC=C1)C2=CC=CC=C2~   13.783
24215 COC1=CC=C(C[CH](C)NC[CH](O)C2=CC(=C(O)C=C2)O)C=C1~   20.226
24216 COC1=CC(=CC=C1)C[CH](C)NC[CH](O)C2=CC(=C(O)C=C2)O~   20.226
24218 COC1=CC=CC(=C1OC)C[CH](N)C2=C(OC)C(=CC=C2)OC~   12.095
24220 COC1=CC=C(C=C1)[CH](N)CC2=CC(=C(OC)C(=C2)OC)OC~   12.095
24223 COC1=C(OC)C(=CC(=C1)CC[CH](N)C2=CC(=CC=C2)O)OC~   14.728
24224 COC1=CC=C(C=C1)[CH](O)[CH](NCCO)C2=CC=C(OC)C=C2~   15.049
24225 C[C]12CC[CH]3[CH](CCC4=C3C=CC(=C4[N+]([O-])=O)O)[CH]1CC[CH]2O~    9.343
24227 OCCN(CCO)CC1=C(O)C=CC(=C1)OCC2=CC=CC=C2~   17.462
24228 CC=C1CC(=C)[C](C)(O)C(=O)OCC2=CCN3CC[CH](OC1=O)[CH]23~   10.500
24229 COC1=CC=CC(=C1OC)[CH](N)[CH](O)C2=C(OC)C(=CC=C2)OC~   16.532
24230 CC1(C)[CH]2CC[C]1(CS(=O)(=O)N[CH](C(O)=O)C3=CC=CC=C3)C(=O)C2~   13.277
24232 CCOC1=C2C=CC=CC2=C(C=C1)C(=N)N3CCN(C)CC3~   12.706
24234 CC1=NC(=NC=C1[CH](O)CN2CCCCC2)C3=CC=CC=C3~   14.169
24237 CC(C)CN1C=NC2=C1N=C(N)N=C2SCCCC3=CC=CC=C3~    8.697
24238 C1CCC2=C3CCCCC3=C4CCCCC4=C2C1~    2.340
24239 CN1C(=O)N(C)C2=C(N(C)C(=N2)NCCNC3=NC4=C(N3C)C(=O)N(C)C(=O)N4C)C1=O~   29.057
24240 C[CH](NCCN[CH](C)C1=CC=CC=C1)C2=CC=CC=C2~   10.242
24241 NCCN(CCC1=CC=CC=C1)CCC2=CC=CC=C2~   10.242
24242 CC(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C~    6.793
24243 CC(C)C1=CC(=C2C=CC=CC2=N1)[CH](O)[CH]3CCCCN3~   13.777
24244 CN(C)C1=CC=C(C=C1)[CH](CC2=CC=CC=C2)NCCO~   12.955
24245 CN[CH](CC1=CC=C(OC)C=C1)C2=CC=C(C=C2)N(C)C~    9.870
24246 C[CH](NCCN1CCOCC1)C2=CC3=C(C=CC=C3)C=C2~   12.105
24247 CC[CH]([CH](CC)C1=CC(=C(O)C=C1)N)C2=CC(=C(O)C=C2)N~   17.572
24248 CC[N+](C)(CC)C1=CC(=CC=C1)OC(=O)NC2=CC=CC=C2~   18.757
24249 COC1=CC=C(CNCCNCC2=CC=C(OC)C=C2)C=C1~   12.943
24250 CC1=C(C)C(=C(C)C(=C1CC(=O)N2CC2)C)CC(=O)N3CC3~   11.793
24251 CCOC(=O)C1=C(C)NC(=C1C)CN[CH](C)C2=CC=CC=C2~   11.599
24252 CC(C)[N+]1=CC=C(CCS(=O)(=O)C2=CC=C(NC(C)=O)C=C2)C=C1~   20.123
24253 O=C1C=CC(=O)N1CCCCCCCCCCN2C(=O)C=CC2=O~   16.674
24254 CN(CCN(C)S(=O)(=O)C1=CC=C(C)C=C1)S(=O)(=O)C2=CC=C(C)C=C2~   10.041
24255 CN(CCCCN(C)S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2~    9.879
24257 CCS(=O)(=O)NC1=CC=C(OCCOC2=CC=C(NS(=O)(=O)CC)C=C2)C=C1~   12.821
24259 CCOC(=O)C(CC1=C(OCC)C=CC(=C1)[N+]([O-])=O)(NC(C)=O)C(=O)OCC~   15.788
24260 CC1(C)O[CH]2CO[C]3(OC(C)(C)O[CH]3[CH]2O1)C(=O)NC4=CC=C(C=C4)S(N)(=O)=O~   21.775
24261 OCCNS(=O)(=O)C1=CC=C(OCCOC2=CC=C(C=C2)S(=O)(=O)NCCO)C=C1~   18.893
24262 C1CCN(CC1)C2=C(N=C3C=CC=CC3=N2)N4CCCCC4~   10.116
24263 C1CCCN(CC1)C2=C(N=C3C=CC=CC3=N2)N4CCCC4~   10.116
24264 C1CCCN(CC1)C2=C(N=C3C=CC=CC3=N2)N4CCOCC4~   12.170
24265 CCC(=O)NC1=C(N2CC2C)C(=O)C(=C(N3CC3C)C1=O)NC(=O)CC~   19.015
24266 CCCC(=O)NC1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)NC(=O)CCC~   19.015
24267 CCC(CC)C(=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C2=CCCCC2~    7.747
24268 CCOC(=O)C(CCC=NNC1=CC=C(C=C1)[N+]([O-])=O)(NC(C)=O)C(=O)OCC~   17.506
24269 CCOC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)OCC1=CC=CC=C1~   21.686
24270 CC(=O)C=CC1=CC2=C(C=C1)C(C)(C)CCC2(C)C~    5.463
24271 C[CH]1C(C)(C)C2=C(C3=C(C(=C2)C)C(=O)CC3)C1(C)C~    4.810
24273 CC1=C2C(=O)CCC2=C3C(=C1)C(C)(C)CCC3(C)C~    4.810
24275 C[C]12CC[CH]3[CH](CCC4=C3C=CC=C4)[CH]1CC[CH]2O~    6.456
24276 CC(=O)OC1C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O~   16.613
24280 C[C]12CC[CH]3[CH](CCC4=C3C=CC(=C4)O)[CH]1CC[CH]2O~   10.439
24281 CC(C)=C[CH]1[CH](COC(=O)C2=C(C)C=CC=C2)C1(C)C~    3.648
24282 C[C]12CC[CH]3[CH](CCC4=C3C=C(O)C=C4)[CH]1CC[CH]2O~   10.439
24285 CC1(C)[CH]2CC[CH](CCOC(=O)C3=C(O)C=CC=C3)[CH]1C2~    4.824
24288 COC1=CC=C(COC(=O)[CH]2[CH](C=C(C)C)C2(C)C)C=C1~    5.432
24290 C[C]12C[CH](O)[CH]3[CH](CCC4=C3C=CC(=C4)O)[CH]1CC[CH]2O~   11.876
24291 C[C]12CC[CH]3[CH](CCC4=C3C=CC(=C4)O)[CH]1C[CH](O)[CH]2O~   11.876
24292 COC1=CC=C(C=C1)C(=O)OC[CH]2[CH](C=C(C)C)C2(C)C~    4.921
24294 COC(=O)[C]1(C)CCC[C]2(C)[CH]1C[CH](OO)C3=CC=CC=C23~    8.567
24295 CC(C)[CH]1CC[C](C)(C1)C(=O)OCC2=CC3=C(OCO3)C=C2~    7.155
24297 CCOC(=O)[C]1(CCCCC1=O)CCOCC2=CC=CC=C2~    9.570
24298 CC1=CC2(C)C(=O)C(C)(O)C1C3C(C)(O)C(=O)C(=CC23C)C~    5.799
24299 COC1=CC(=CC(=C1OC)OC)[CH]2C[C]3(C)OC(=O)[CH]2C[CH]3C~    8.506
24300 CCOC(=O)C[CH](C(C(=O)OCC)C(=O)OCC)C1=CC=CC=C1~    9.480
24301 CCOC(=O)[CH](C)C(=CC1=CC(=C(OC)C=C1)OC)C(=O)OCC~    9.900
24302 CCOC(=O)[CH]1[CH](CC(=O)C[C]1(C)O)C2=CC=C(OC)C(=C2)OC~   14.654
24303 CCCC(=O)OC(OC(=O)CCC)C1=CC=C(OC(=O)CC)C=C1~    8.777
24304 CCCC(=O)OC(OC(=O)CCC)C1=CC(=CC=C1)OC(=O)CC~    8.777
24305 C[C](CC1=CC=CC=C1)(C2=CC=CC=C2)[N+](C)(C)C~   14.519
24306 CC1=CC2=C(C=CC=C2)C=[N+]1CCC3CCCCC3~   10.285
24307 CCCC1=C(CC)C=C(CC)C=[N+]1C2=CC=CC=C2~   12.971
24309 CCCCCC1=CC=[N+](C[CH](O)C2=CC=CC=C2)C=C1~   14.695
24310 COC1=CC2=C(C[CH]3[CH]4CCCC[C]24CCN3C)C=C1~    6.921
24311 CC(C)CC(CC(C)C)(OC(=O)NC1=CC=CC=C1)C#C~    7.337
24312 COC1=CC=C2CC3C4CCCCC4(CC[N+]3(C)[O-])C2=C1~   14.017
24313 COC1=CC=C(C[N+](C)(C)CC2=CC=C(OC)C=C2)C=C1~   17.221
24314 C[C]12CC[CH]3[CH](CCC4=C3C=C(N)C(=C4)O)[CH]1CC[CH]2O~   13.889
24315 C[C]12CC[CH]3[CH](CCC4=C3C=CC(=C4N)O)[CH]1CC[CH]2O~   13.889
24318 CCCC[C](CCC1=CC=C(C=C1)[N+]([O-])=O)(C(C)=O)C(=O)OCC~    9.564
24319 CCCC[C](CCC1=C(C=CC=C1)[N+]([O-])=O)(C(C)=O)C(=O)OCC~    9.564
24320 CCCCC(O)(CCCC)C(=O)COC(=O)C1=CC=C(C=C1)[N+]([O-])=O~    9.008
24321 CCOC(=O)C(CCCOC1=CC=CC=C1)(NC(C)=O)C(=O)OCC~   13.305
24323 CCCCN(CCCC)C(=N)C1=C2C=CC=CC2=NC=C1~   10.208
24326 COC1=CC=C2C(=C1)C(=CC(=[N+]2C)C)NCCCCCC#N~   18.019
24327 COC1=CC(=C2N=CC=CC2=C1)NCCNC3CCCCC3~   13.764
24329 COC1=CC(=C2N=CC=CC2=C1)NCC[CH]3CCCCN3C~   13.545
24332 COC1=CC(=C2N=CC=CC2=C1)NC[CH](O)CN3CCCCC3~   17.983
24334 CCOC(=O)C(CCC=NNC1=CC=CC=C1)(NC(C)=O)C(=O)OCC~   15.101
24335 C1CCC(CC1)C2=CC=C(C=C2)C3CCCCC3~    1.664
24336 C1CCC(CC1)C2=C(C=CC=C2)C3CCCCC3~    1.664
24337 CN1C=C(NC(=O)C2=CC(=CN2C)NC(=O)CNC(N)=N)C=C1C(=O)NCCC(N)=N~   33.710
24338 CN(C)CCCN1C2=C(CCCCC2)C3=C1C=CC=C3~    7.684
24339 CN(C)CC[C](C#N)(C1CCCCC1)C2=CC=CC=C2~    8.284
24341 CC(=O)NC1=C(C)C(=C2C(=C1)C(C)(C)CC2(C)C)NC(C)=O~   10.562
24342 O=C(C1CCN(CC1)CCC2=CC=CC=C2)N3CCOCC3~   13.693
24345 CCOC(=O)CCN(C1CCCCC1)C(=S)NC2=CC=CC=C2~    8.495
24346 CC(=O)[CH]([CH](N1CCOCC1)C2=CC=CC=C2)N3CCOCC3~   14.914
24347 CC(C)COC(=O)C1=CC=CC(=C1)NC(=O)CN2CCCCC2~   12.023
24348 CCOC(=O)CCN(C1CCCCC1)C(=O)NC2=CC=CC=C2~   11.131
24350 CCCCOC(=O)C1=CC=C(NC(=O)CCN2CCOCC2)C=C1~   15.377
24351 CCCCOC(=O)C1=CC=C(NC(=O)[CH](C)N2CCOCC2)C=C1~   14.077
24352 CCCCCOC(=O)C1=CC=CC(=C1)NC(=O)CN2CCOCC2~   14.077
24354 CCCCCOC(=O)C1=CC=C(NC(=O)CN2CCOCC2)C=C1~   14.077
24356 CC1=CC(=C(O)C(=C1)[CH]2C[CH]3CC[C]2(C)C3(C)C)C~    5.726
24357 CCC1=CC2=C(C=C1C(C)=O)C(C)(C)CCC2(C)C~    4.375
24358 CC(=O)C1=CC2=C(C=C1C)C(C)(C)C(C)(C)C2(C)C~    4.375
24359 CC[C]1(C)[CH](C)C(C)(C)C2=C1C=C(C)C(=C2)C(C)=O~    4.375
24360 CCC1=CC2=C(C=C1C(C)=O)C(C)(C)[CH](C)C2(C)C~    4.375
24361 CC[CH]1C(C)(C)C2=C(C=C(C(C)=O)C(=C2)C)C1(C)C~    4.375
24362 CCC1=CC2=C(C=C1C(C)=O)[CH](C)CC[C]2(C)CC~    4.375
24364 CC(C)C1=CC2=C(C=C1C=O)C(C)(C)CCC2(C)C~    4.115
24365 CC[C]1(C)CCC(C)(C)C2=C1C=C(C)C(=C2)C(C)=O~    4.375
24366 CCC(=O)C1=CC2=C(C=C1C)C(C)(C)CCC2(C)C~    4.375
24367 C[CH]1CC(C)(C)C2=C(C=C(C(C)=O)C(=C2)C)C1(C)C~    4.375
24368 C[CH]1CC(C)(C)C2=C(C=C(C)C(=C2)C(C)=O)C1(C)C~    4.375
24369 OC[CH]1O[CH](O[CH]2[CH](CO)O[CH](SC3=CC=CC=C3)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O~   22.583
24370 CCC(=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](COC(C)=O)OC(C)=O~   15.955
24372 CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](COC(C)=O)OC(C)=O~   16.257
24374 C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]34)[CH]1CC[CH]2O~    8.575
24375 CCCCC1(CC)COC(OC1)C=CC2=CC=CC=C2~    5.021
24376 O=C(CCC1CCCCC1)OCCCC2=CC=CC=C2~    4.097
24379 C[C]12CC[CH]3[CH](CC[CH]4CCC(=O)C=C34)[CH]1CC[CH]2O~    8.575
24380 C[C]12CC[CH]3[CH](CCC4=C3CCC(=O)C4)[CH]1CC[CH]2O~    8.231
24381 C[CH]1C[CH]2C[C]1(OC(=O)[CH]3[CH](C=C(C)C)C3(C)C)C=C2~    3.017
24383 C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)CC[CH]34)[CH]1CC[CH]2O~   10.012
24384 CCCC1=C(OCC=C)C(=CC(=C1)C(=O)OCC)CCC~    4.870
24385 CCCCCCCCOC(=O)C=CC1=CC=C(OC)C=C1~    5.750
24386 CCCC[CH](CC)COC(=O)C=CC1=CC=C(OC)C=C1~    5.750
24387 CCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCC~    5.666
24388 CC(C)CCOC(=O)C1=C(C=CC=C1)C(=O)OCCC(C)C~    5.666
24389 CCCC[CH](C(C(=O)OCC)C(=O)OCC)C1=CC=CC=C1~    6.611
24390 C[CH]1CC=CC[CH]1C(=O)OCCOC(=O)[CH]2CC=CC[CH]2C~    5.602
24391 CC(C)C1=CC=C(C=C1)[CH]2OC[CH](CCCCOC(C)=O)O2~    7.587
24392 O=C(OCCSCCOC(=O)[CH]1CCC=CC1)[CH]2CCC=CC2~    7.697
24393 CO[CH](C)CCOC(=O)C1=C(C=CC=C1)C(=O)OCC[CH](C)OC~    9.775
24394 OC(=O)CCC1(CCCC(CCC(O)=O)(CCC(O)=O)C1=O)CCC(O)=O~   23.821
24395 CCCC[CH](CN1CCCCC1)C(=O)C2=CC=CC=C2~    7.684
24397 OC1=C(CN2CCCCC2)C=C(C=C1)C3CCCCC3~    9.197
24399 CN(C)[CH]1C[C](CCC1=O)(C2CCCCC2)C3=CC=CS3~    7.272
24400 CC(C)C1=CC(=C(C=C1)C(=O)CN2CCOCC2)C(C)C~    8.599
24401 CC(C)C[CH](C(=O)OCCN1CCCC1)C2=CC=CC=C2~    7.648
24406 CC1=CC(=C(C)C(=C1C)C(=O)OCCN2CCCCC2)C~    7.456
24408 CCCC1=C(OCC=C)C(=CC(=C1)C(=O)N(C)C)CCC~    8.503
24412 CCCOC1=CC=C(C=C1)C(=O)OCCN2[CH](C)CC[CH]2C~    8.487
24417 CC(C)OC1=CC=C(C=C1)C(=O)O[CH](C)[CH](C)N2CCCC2~    8.487
24419 CCCOC1=CC=C(C=C1)C(=O)OCCCCN2CCCC2~    8.487
24420 CCCOC1=CC(=C(C(=O)OCCN2CCCC2)C(=C1)C)C~    8.648
24421 CCCOC1=CC=C(C=C1)C(=O)OCC[CH](C)N2CCCC2~    8.487
24423 C[N+]1(C)[CH]2CC[CH]1CC(C2)OC(=O)[CH](CO)C3=CC=CC=C3~   20.706
24425 CC(C)C(=O)O[CH]1[CH](C)CC2=C1C=C(OCCN(C)C)C=C2~    9.079
24426 CCCCCCCCCCCN1C(=O)C2=CC=CC=C2S1(=O)=O~    7.338
24427 CC=C(C)C(=O)OC1CC[N+]2([O-])CCC(COC(=O)C(CO)=CC)C12~   21.088
24428 CC(C)NCCCCCNC1=C(C)C=CC2=CC=CN=C12~   12.137
24429 CCN(CC)CCC[CH](C)NC1=NC2=C(C=CC=C2)C=C1~   11.839
24430 CCN(CC)CCCNCC1=C2N=CC=CC2=CC(=C1)OC~   13.807
24431 CCN(CCCNC1=C2N=CC=CC2=CC(=C1)OC)C(C)C~   13.190
24432 COC1=CC(=C2N=CC=CC2=C1)NCCN(C(C)C)C(C)C~   13.190
24433 CC[CH](C)N(CC)CCNC1=C2N=CC=CC2=CC(=C1)OC~   13.190
24434 CCCN(CCNC1=C2N=CC=CC2=CC(=C1)OC)C(C)C~   13.190
24435 CCN(CCNC1=C2N=CC=CC2=CC(=C1)OC)CC(C)C~   13.190
24437 CCN(CC)CCCNC1=C2N=CC=CC2=C(OC)C(=C1)OC~   14.541
24438 CCCN(C)C[C](C)(O)CNC1=C2N=CC=CC2=CC(=C1)OC~   17.627
24441 C[CH](CC[CH](C)[N+]1=CC=C(C)C=C1)[N+]2=CC=C(C)C=C2~   11.812
24442 CC1=CC(CC(C)(C)C1)=NN=C2CC(C)(C)CC(=C2)C~    0.939
24444 CCN(CC)C(=O)C1CCN(CC1)CCC2=CC=CC=C2~   11.283
24446 CCN(CC)C(=O)C1CCN(CCOC2=CC=CC=C2)CC1~   12.554
24448 CCCCOC(=O)C1=CC=C(NC(=O)CCNCC(C)C)C=C1~   13.185
24449 CCCCOC(=O)C1=CC=C(NC(=O)[CH](C)N(CC)CC)C=C1~   11.668
24450 CCCCCOC(=O)C1=CC=C(NC(=O)CN(CC)CC)C=C1~   11.668
24452 CCCCNCCC(=O)NC1=CC=C(C=C1)C(=O)OCCCC~   13.185
24453 CCCCCOC(=O)C1=CC=C(NC(=O)CNC(C)(C)C)C=C1~   11.886
24455 CCCCCOC(=O)C1=CC=CC(=C1)NC(=O)CN(CC)CC~   11.668
24456 CCCCCOC(=O)C1=CC=CC(=C1)NC(=O)CNCC(C)C~   11.886
24457 CCCCCOC(=O)C1=CC=C(NC(=O)CNCCCC)C=C1~   11.886
24460 CCOC1=CC(=C(O)C(=C1)CN2CCOCC2)CN3CCOCC3~   18.208
24461 CC(C)N(C)C1=C(OC(C)=O)C=C(N(C)C(C)C)C(=C1)OC(C)=O~    9.213
24462 CCCCC[CH](C)NC(C)(C)COC(=O)C1=CC(=CC=C1)[N+]([O-])=O~    9.402
24464 O=C(NCCCCCCNC(=O)C1=CC=CN=C1)N2CCCCC2~   17.848
24465 CN1N=CC2=C1N=C(NC3CCCCC3)N=C2NC4CCCCC4~   10.532
24466 CCCCCCCCCCCC(=O)C1=CC=CC=C1~    3.777
24467 CCCCCCCCCCC1=CC=C(C=C1)C(C)=O~    3.857
24470 CCCCCCCCCC1=CC=C(OC(=O)CC)C=C1~    3.038
24471 CCC[CH](C)C1=CC(=C(OC(C)=O)C=C1)[CH](C)CCC~    3.118
24473 CCCC[CH](CC)COC(=O)C1=CC=C(C=C1)C(C)C~    3.309
24474 CCCCCCCCCCCOC(=O)C1=CC=CC=C1~    3.229
24475 CCCC(=O)OC1=CC=C(C=C1)C(C)(C)CC(C)(C)C~    3.038
24476 CC(C)C(=O)OC1=CC=C(C=C1)C(C)(C)CC(C)(C)C~    3.038
24477 CCC[CH]1O[CH](OC[CH]1CC)C2=CC=C(C=C2)C(C)C~    4.717
24479 CCCCC[CH](CCC)COC(=O)CC1=CC=CC=C1~    3.742
24480 CCCCC[CH](CCC)COC(=O)C1=CC=C(C)C=C1~    3.309
24481 COC(=O)CCCCCCCC[CH](C)C1=CC=CC=C1~    3.742
24482 CCCCCCCCC[CH]1OC[CH](O1)C2=CC=CC=C2~    4.636
24483 CC(C)[CH]1O[CH](OCC1(C)C)C2=CC=C(C=C2)C(C)C~    4.717
24486 CCCCC(=O)O[CH](C)COC1=CC=C(C=C1)[CH](C)CC~    5.093
24489 CCCCC[CH](CCC)COC(=O)C1=CC=C(OC)C=C1~    4.580
24490 CCC1(CC)COC(C)(CCC2=CC=C(OC)C=C2)OC1~    5.987
24492 CCCCCC(=O)OCCCOCCCOC1=CC=CC=C1~    7.067
24494 CCCCCCCCCCOC(=O)C1=CC=C(O)C(=C1)OC~    8.562
24495 CC(C)COC(=O)[CH]1[CH]2CC[CH](C=C2)[CH]1C(=O)OCC(C)C~    5.547
24496 OC(=O)CCCCCCCCCCS(=O)(=O)CC1=CC=CC=C1~   10.319
24497 COC(=O)CCCCCCCCCCS(=O)(=O)C1=CC=CC=C1~    7.420
24498 CCOCCOCCO[CH](C)OC1=CC=C(CCC(C)=O)C=C1~   11.804
24501 CN(CCC1CCCCCC1)CCC2=CC=CC=C2~    4.780
24502 CCCCCCCCCCCC(=O)NC1=CC=CC=C1~    6.979
24503 CN(C)CC1=CC(=CC(=C1O)C2CCCC2)C(C)(C)C~    8.921
24504 CC(C)C1=C(OCCN2CCCC2)C(=CC=C1)C(C)C~    6.210
24506 CCCCCC(CCCCC)(C(N)=O)C1=CC=CC=C1~    7.812
24507 CCCC1=C(OCC=C)C(=CC(=C1)CN(C)C)CCC~    6.062
24509 CN1COC2=C(C=C(C(=C2C1)C)C(C)(C)C)C(C)(C)C~    5.071
24511 CCOC(=O)[CH](N([CH](C)CC)[CH](C)CC)C1=CC=CC=C1~    5.991
24513 CC1=C[CH]([CH](O)C(C)(C)C1)[CH]2C(C=C(C)CC2(C)C)=NO~    8.378
24515 CCCCCOC1=CC=C(OCCCN2CCOCC2)C=C1~    9.455
24516 CCCCOC1=CC=C(OCCCCN2CCOCC2)C=C1~    9.455
24517 COC1=CC=C(C=C1OC)C(=O)C[N+]2(C)CCCCCCC2~   17.352
24518 CCN(CC)CCOC(=O)[CH](C1=CC=CS1)C2(O)CCCCC2~   12.104
24519 C[CH]1C[C](C)(C[CH]([CH](O)CC2CC(=O)N(C)C(=O)C2)[CH]1O)OC(C)=O~   14.754
24520 C1CCN(CC1)CCCN2CCN(CC2)C3=CC=CC=C3~   10.650
24521 CCCC(=O)NC1=CC(=C(NC(=O)CN(CC)CC)C(=C1)C)C~   12.378
24522 CCCCCCCCCCCC(=O)NNC(=O)C1=CC=NC=C1~   11.975
24523 CCOC(=O)N1CCN(CCCCCOC2=C(N)C=CC=C2)CC1~   15.457
24525 CCC1=C(CC)C(=C(CC)C(=C1CC)CC)CC~    1.273
24526 CCCCCCCCCCCCC1=CC=CC=C1~    0.873
24527 CCCCN(CCCC)C(=N)C1=C(C)C=C(C)C=C1C~    6.186
24528 CCN(CC)CCOC1(CCCCC1)CC2=CC=CC=N2~    9.593
24529 CCN(CC)CCO[CH]1CCCC[CH]1CC2=CC=CC=N2~    9.593
24530 CC(C)CCN(CCC(C)C)CCC1=C(C=CC=C1)[N+]([O-])=O~    6.827
24531 CCOC1=C(C=CC=C1)C(=O)N[CH](C)CCCN(CC)CC~   11.983
24532 CCCN(CCC)C1=CC(=O)C(=CC1=O)N(CCC)CCC~   11.298
24533 CCN(CC)CC(CN(CC)CC)OC(=O)C1=CC=CC=C1~   10.331
24534 O=C(C1CCCCC1)N2CCN(CC2)C(=O)C3CCCCC3~    9.917
24535 CCCCOC1=C(N)C=C(C=C1)C(=O)OC[CH](CC)NCCC~   11.801
24536 CCCCOC1=C(C=C(N)C=C1)C(=O)OCCCN(CC)CC~   11.582
24537 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCCCN(C)C~   10.449
24538 O=C(CCCSCCCC(=O)NN=C1CCSCC1)NN=C2CCSCC2~   16.112
24539 CCCCCCCCCCOC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C~   10.567
24540 C=CCNC(=S)OCCN(CCOC(=S)NCC=C)CCOC(=S)NCC=C~   17.127
24541 CC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C~    5.015
24542 CC[CH](C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C~    5.015
24543 CCC(=O)[CH]1CCC[CH](C)[CH]2CC(C)(C)[CH]2C=C1C~    3.154
24544 CC(C)OC(=O)[CH](C)OC(=O)OCCOCCOC(=O)O[CH](C)C(=O)OC(C)C~    9.775
24547 COCCOC(=O)[CH](C)OC(=O)OCCOOCCOC(=O)O[CH](C)C(=O)CCOC~   14.030
24548 CCC=CCC=CCC=CCCCCCCCC(O)=O~    4.460
24549 COC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C~    7.070
24550 C[C]12CC[CH]3[CH]4CC[CH](O)C[CH]4CC[CH]3[CH]1CC[CH]2O~    6.337
24552 O=C(CCCCC(=O)OC1CCCCC1)OC2CCCCC2~    5.491
24553 CC(C)COC(=O)[CH]1CC(=C[CH](C)[CH]1C(=O)OCC(C)C)C~    5.119
24556 COC(=O)C[CH](CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC~   10.519
24557 CCCCOC(=O)[CH](C)OC(=O)COCC(=O)O[CH](C)C(=O)OCCCC~    9.173
24558 CC1C2CCC(C2)C1CNCC3C4CCC(C4)C3C~    4.233
24559 CCCCN(CCCC)CC1=C(C)C=C(C)C(=C1)C~    4.664
24560 C[CH]1C[CH](CC(C)(C)C1)N=C2CC(C)(C)CC(=C2)C~    1.040
24561 CCCCN(CCCC)CCC[CH](O)C1=CC=CC=C1~    8.860
24564 CC[N+](C)(CC)C[CH](C1=CC=CC=C1)C2(O)CCCC2~   17.480
24565 CCCCCCCC[CH](CO)NCCC1=CC=CC=C1~    9.078
24567 COC1=C(O)C(=CC(=C1)C(C)(C)CC(C)(C)C)CN(C)C~    9.836
24568 CCCCN(CCCC)C1=C(OCC)C=CC(=C1)OCC~    5.539
24569 CCC[CH](C)CC(C)=CC(C)(C)[CH]1CC(=O)N(CC)C1=O~    5.638
24570 CCCCCCCCCCCCCSC1=CC=CC=N1~    3.620
24574 CCCCCCCCCCCCNC1=NC=NC2=C1C=NN2C~   10.137
24576 O=C1[CH](CCC[CH]1CN2CCCCC2)CN3CCCCC3~   10.627
24577 CCN(CC)C(=O)OC1=C(C=C(C(=C1)C)[N+](C)(C)C)C(C)C~   17.484
24579 O=C1N[CH](CCN2CCCCC2)C(=O)N[CH]1CCN3CCCCC3~   14.857
24580 CC(C)OCCCNC1=NC2=C(C=NN2C)C(=N1)NCCCOC(C)C~   13.928
24581 CN(C)CCCNC1=NC(=C2N=C(C)C(=NC2=N1)C)NCCCN(C)C~   18.513
24582 OC[CH]1O[CH](OC[CH]2O[CH](O[C]3(CO)O[CH](CO)[CH](O)[CH]3O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O~   29.387
24583 OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[C]2(CO)O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH](O)[CH](O)[CH]1O~   29.387
24585 CCCCCCC=CC=CCCCCCCCC(O)=O~    4.493
24587 CCCCCC=CCC=CCCCCCCCC(O)=O~    4.405
24588 CCCCCC(=O)O[CH]1CCCC[CH]1C2CCCCC2~    2.622
24589 CCCCCC(=O)OC1CCC(CC1)C2CCCCC2~    2.622
24590 OC(=O)CCCCCCCCCCCC[CH]1CCC=C1~    4.703
24591 CCCCCCCCCCCCOC(=O)C=CC=CC~    2.384
24592 CCCCCCCCCCCC#CCCCCC(O)=O~    5.498
24593 CCCCCCC(=O)CC=CCCCCCCCC(O)=O~    7.767
24594 CCCCCCCC[C]1(OC12CCCCC2)C(=O)OCC~    4.326
24595 CCCCOCCOC(=O)CCCCC[CH]1CCCC=C1~    4.377
24596 CCCCCC1OC1CC2OC2CCCCCCCC(O)=O~    9.613
24598 CC(C)CC(=O)OCC(COC(=O)CC(C)C)OC(=O)CC(C)C~    7.650
24599 CCCCCCC(=O)[CH](O)[CH](O)C(=O)CCCCCCCC(O)=O~    9.742
24600 CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC~    8.456
24601 N#CC1CCCCCCCCCCCCCCCC1~    2.903
24602 C1CCC(CC1)N(C2CCCCC2)C3CCCCC3~    3.660
24603 CCCCC[CH]1C(=CC(=C(C)[C]1(C)CN(C)C)C)C~    2.932
24604 CCCCCCCCCCCC[N+]1=CC=CC=C1C~    8.426
24605 CCCCCCCCCCCC[N+]1=CC=C(C)C=C1~    8.426
24606 CC[N+](CC)(CC)CCOC1=C(C=CC(=C1)C)C(C)C~   14.119
24608 CCC[CH](C1CCCC1)C(=O)OCCN2CCC[CH]2CC~    6.173
24609 CCC[CH](C1CCCC1)C(=O)OCCCN2CCC[CH]2C~    6.173
24610 CCC[CH](C1CCCC1)C(=O)OC[CH](C)CN2CCCC2~    6.173
24611 CCC[CH](C1CCCC1)C(=O)OCC[CH](C)N2CCCC2~    6.173
24613 CCC[CH](C1CCCC1)C(=O)O[CH](C)[CH](C)N2CCCC2~    6.173
24614 CCC[CH](C1CCCC1)C(=O)O[CH](C)CCN2CCCC2~    6.173
24615 CCC[CH](C1CCCC1)C(=O)OCCN2C[CH](C)[CH](C)C2~    6.173
24616 CCC[CH](C1CCCC1)C(=O)OCCN2CCC(C)(C)C2~    6.173
24617 CCCC[CH](C1CCCC1)C(=O)OC[CH](C)N2CCCC2~    6.173
24618 CCCC[CH](C1CCCC1)C(=O)O[CH](C)CN2CCCC2~    6.173
24619 CCCCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC~   10.203
24620 OC[CH](O)[CH](O)[CH](O)[CH](O)C(=O)N(C1CCCCC1)C2CCCCC2~   12.812
24621 CCCCCOC(=O)O[CH](C)CNC(=O)[CH](C)OC(=O)OCCCCC~    9.556
24622 CCN(CC)CCN(CCN(CC)CC)C1=CC=CC=C1~    9.939
24623 C[N+]1(CCN[N+]2(C)CCCCC2)CCC3=C(C1)C=CC=C3~   21.674
24624 CC(C)CCOC1=NC(=NC(=N1)OCCC(C)C)OCCC(C)C~    5.246
24626 CCCC[N+]1=CC=CC(=C1)[CH]2CCC[N+]2(C)CCCC~   14.597
24628 CC(=O)CC(C)(C)N(CCCCCCN(N=O)C(C)(C)CC(C)=O)N=O~   15.231
24629 C[CH](CC=C(C=O)[CH](C)CC(C)(C)C)CC(C)(C)C~    2.457
24630 CCCCCCCCCCCCCCCC=CC(O)=O~    4.622
24633 CCC[CH](C)[CH]1CC[CH](OC(C)=O)[CH](C1)[CH](C)CCC~    2.266
24634 CCCCCCCCC=CCCCCCCCC(O)=O~    4.349
24636 CCCCCCCCCCCC(=O)OC1CCCCC1~    2.266
24637 CCCCCCCC[CH]1O[CH]1CCCCCCCC(O)=O~    7.203
24638 CCCCCCC(=O)CCCCCCCCCCC(O)=O~    7.710
24639 CCCCCC[CH](O)CC=CCCCCCCCC(O)=O~    8.785
24641 CCCCOCCOC(=O)CCCCCC1CCCCC1~    4.321
24642 CCCCCCCCCC(=O)OCCCC[CH]1CCCO1~    5.220
24643 CCCCCOC(=O)[CH](CCCCC)C(=O)CCCCC~    5.329
24644 CCCCOC(=O)CCCCCCCCC(=O)OCCCC~    4.780
24646 CCCCCCCCCCCCS[CH](CC(=O)OC)C(=O)OC~    6.876
24649 CCOCCOC(=O)CCCCCCCCC(=O)OCCOCC~    8.889
24650 CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC~    8.889
24651 CCCCCCOCCOC(=O)[CH](C)OC(=O)OCCCCCC~    5.435
24652 O[CH](CCCCCCCC(O)=O)[CH](O)CCCCCCCC(O)=O~   15.418
24653 CCCCCCCCCCCCCCCCCC#N~    2.547
24654 CCCCCC1=C(C)C=C(C)C[C]1(C)C[N+](C)(C)C~   11.197
24655 CCCCCCCCCCN1C[CH]2CCCC[CH]2C1~    3.303
24658 CCCCCCCCCCCCCC(=O)N1CCOCC1~    7.955
24659 CCO[CH]1CC[CH](C[CH]1OCCCN(CC)CC)C=CC~    7.112
24660 CCCCCCCCCCCCCC[CH](NC(C)=O)C(O)=O~    9.717
24661 CCCCCCCCCCCCCCCC1=NCCN1~    4.470
24662 CC(C)CCN1CCN(CCC(C)C)[CH]2CCCC[CH]12~    6.854
24663 CCCCCCCCCCCC1=NC(C)(C)CN1CCO~    8.688
24666 CC[N+](C)(C)CCOC1=CC=C(OCC[N+](C)(C)CC)C=C1~   21.126
24667 CCCCCOC(=O)NCCCCCCNC(=O)OCCCCC~    8.190
24668 CCN(CC)CCOC(=O)OCCCCOC(=O)OCCN(CC)CC~   10.783
24671 CCCCCCCCC=CCCCCCCCCO~    3.333
24672 CCCCCCCCCCCCCC(=O)OCCCC~    1.910
24674 CCCCCCCCCCCCCCCCOC(C)=O~    1.910
24676 CCCCCCCCCCCCCCCC(=O)OCC~    1.910
24678 CCCC[CH](CC)CC[CH](CCC(CC)CC)OC=O~    1.652
24679 CCCCCCCCC1OCC(CC)(CCCC)CO1~    2.807
24681 CCCCCCCCCCCCCCCCCC(O)=O~    4.292
24683 CCCCCCCCCCCCCC(=O)OCC(C)C~    1.910
24684 CCCCCCCC[CH]1O[CH]1CCCCCCCCO~    6.388
24685 CCCCCCCSCCCCCCCCCCC(O)=O~    6.387
24688 CCCCCCCS(=O)(=O)CCCCCCCCCCC(O)=O~    8.488
24689 CCCCCCCCCCCCCCCC[CH](C(O)=O)S(O)(=O)=O~   11.059
24690 CCOC=C[CH](OCC)C(C(OCC)OCC)C(OCC)OCC~    9.896
24691 CCCCCCCCCCCCNC(=O)[CH](O)[CH](O)[CH](O)[CH](COS(O)(=O)=O)OS(O)(=O)=O~   23.359
24692 CCCCCCCCCCCC(=O)OCCN(CC)CC~    5.461
24693 CCCCCCCCCCCCCCCC[CH](N)C(O)=O~    6.979
24695 CCCCCCCCN(CCCCCCCC)CC(O)=O~    6.544
24696 CCCCCCCCCCCCCCCCCN1N=NNC1=N~    8.082
24697 CCCCCCCCCCCCCCCCCC~   -0.709
24698 C[CH](CCCC[CH](C)CC(C)(C)C)CC(C)(C)C~   -0.709
24699 C[CH]1CCCCC[N+]12CC[N+]3(CCCCC[CH]3C)CC2~   17.740
24702 CCCCCCCCCCCCCCCCCCO~    3.278
24703 CCCCCC[CH](O)CCCCCCCCCCCO~    4.914
24704 CCCCCCCCCCCCCCCCCCS(O)(=O)=O~    5.807
24705 CCCCOC(OCCCC)C(OCCCC)OCCCC~    6.559
24706 CCCCCCCS(=O)(=O)OCCCCOS(=O)(=O)CCCCCCC~    7.810
24708 CCCCCCCCCCCCCCCCCCS~    0.491
24710 CCCCCCCCCNCCCCCCCCC~    2.810
24711 CCCCCCCCCCCCCCCCN(C)C~    2.592
24712 CCCCCCCCCCCCCCCCCCN~    3.029
24713 CCCCCCCCCCCC[N+]1(C)CCCCC1~   11.213
24714 CCCCCCCCN(CCO)CCCCCCCC~    7.029
24716 CCCCCCCCCCCCCC[N+](C)(C)CC(O)=O~   14.810
24718 CCCCCCCCNCCNCCCCCCCC~    6.580
24719 C[N+]1(CCCCCC1)CCCC[N+]2(C)CCCCCC2~   17.384
24720 CCCCCCCCCCCCCCCCCCNN(O)O~   10.804
24721 CCOC(=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(=O)OCC~   19.812
24722 CN(C)CCN(CCN(C)C)C(=O)C(=O)N(CCN(C)C)CCN(C)C~   22.158
24725 [O-][N+](=O)C1=CC(=C(C=C1)N2C(=O)C3=C4C(=CC=C3)C=CC=C4C2=O)[N+]([O-])=O~   11.757
24727 [O-][N+](=O)C1=CC=C(C=C1)N=C2C3=CC=CC=C3C4=CC=C(C=C24)[N+]([O-])=O~   10.366
24728 [O-][N+](=O)C1=CC2=C(C=C1)C3=C(C=CC=C3C2=NC4=CC=CC=C4)[N+]([O-])=O~   10.366
24730 [O-][N+](=O)C1=CC=C2N=C(SCC(=O)C3=CC4=C(C=CC=C4)C=C3)SC2=C1~   15.253
24732 O=C1OC2=C3C=CC=CC3=CC=C2C=C1C4=CC=CC=C4~    7.517
24734 O=C1[CH](OC2=CC=CC=C12)C(=O)C3=C4C=CC=CC4=CC=C3~   10.752
24736 O=C1[CH](C(=O)C2=CC=CC=C2)C(=O)C(=O)[CH]1C(=O)C3=CC=CC=C3~   18.107
24737 OC1=CC2=C(C=C1O)C(=C3C=C(O)C(=O)C=C3O2)C4=C(O)C=CC=C4~   20.420
24740 C1=CC=C(C=C1)N=C2C3=C(C=CC=C3)C4=CC=CC=C24~    5.558
24741 C1=CC=C(C=C1)C2=NC3=C(C=CC=C3)C4=C2C=CC=C4~    8.287
24744 O1C(=CN=C1C2=C3C=CC=CC3=CC=C2)C4=CC=CC=C4~    8.393
24746 OC(=O)C1=C(C=CC=C1)N2C3=C(C=CC=C3)C4=CC=CC=C24~   10.420
24747 O=C1N(CC2=C3C=CC=CC3=CC=C2)C(=O)C4=CC=CC=C14~    9.752
24748 CC1=C2C(=O)OC3=C(C=CC=C3)C2=CC(=N1)C4=CC=C(O)C=C4~   13.287
24749 [O-][N+](=O)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3~    9.231
24751 COC(=O)[CH]1C2=CC=CC=C2C3=C1C=C(C=C3)N4C(=O)C=CC4=O~   11.618
24752 [O-][N+](=O)C1=C(C=CC=C1)C2=CC=C(OC(=O)C3=CC=CC=C3)C=C2~    8.410
24753 [O-][N+](=O)C1=CC(=C(SC(=S)N(C2=CC=CC=C2)C3=CC=CC=C3)C=C1)[N+]([O-])=O~    9.670
24755 OC(=O)C1=CC(=CC(=C1O)N=NC2=CC=C(C=C2)[N+]([O-])=O)N=NC3=CC=C(C=C3)S(O)(=O)=O~   21.710
24756 C1=CC=C(C=C1)C2C3=C(C=CC=C3)C4=CC=CC=C24~    4.870
24757 CC1=C2C=CC3=C(C=CC=C3)C2=CC4=C1C=CC=C4~    5.257
24758 N(N=C1C2=C(C=CC=C2)C3=CC=CC=C13)C4=CC=CC=C4~    7.936
24760 C1C2=CC=CC=C2C3=C1C=C(C=C3)N=CC4=CC=CC=N4~    8.398
24761 C(C1=NC2=CC=CC=C2C=C1)C3=C4C=CC=CC4=CC=N3~   11.106
24762 CC1=C(C=CC=C1)N2C(=NC3=C2C(=O)C4=C(C=CC=C4)C3=O)C~   14.008
24764 OC1=CC=C(C=C1)C2=CC=C(C=C2)N=NC3=CC=C(O)C(=C3)C(O)=O~   15.509
24765 OC(=O)C1=C(C=C(C=C1)[N+]([O-])=O)N(C2=CC=CC=C2)C3=CC=CC=C3~   12.367
24766 [O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)NC2C3=C(OC4=C2C=CC=C4)C=CC=C3~   11.625
24767 [O-][N+](=O)C1=CC(=CC=C1)S(=O)(=O)NC2C3=C(OC4=C2C=CC=C4)C=CC=C3~   11.625
24768 N(C1=NC2=CC=CC=C2S1)C3=CC=CC=C3C4=CC=CC=C4~   11.252
24769 COC1=CC(=C2N=CC=CC2=C1)N=NC3=C4C=CC=NC4=C(O)C=C3~   17.830
24770 [O-][N+](=O)C1=CC(=C(NN=C(C2=CC=CC=C2)C3=CC=CC=C3)C=C1)[N+]([O-])=O~   10.947
24771 OC(=O)C1=CC(=CC=C1O)N=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(O)(=O)=O~   19.306
24773 O=C(C1=CC=CC=C1)C2=C(C=CC=C2)C3=CC=CC=C3~    6.827
24774 OC1(C2=CC=CC=C2)C3=C(C=CC=C3)C4=CC=CC=C14~    9.306
24775 CCC(=O)C1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34~    7.697
24777 O=C(C=CC1=CC=CC=C1)C2=CC3=C(C=CC=C3)C=C2~    7.646
24779 O=C(C1=CC=CC=C1)C2=CC=C(SC3=CC=CC=C3)C=C2~    7.947
24780 OC1(C2=CC=CC=C2)C3=C(OC4=C1C=CC=C4)C=CC=C3~    9.851
24783 O=C(OC1=CC=C(C=C1)C2=CC=CC=C2)C3=CC=CC=C3~    6.007
24784 COC1=CC2=C(O)C3=C(C=CC=C3)C=C2C4=C1C=CC=C4~   10.510
24785 OC(=O)C(=CC1=CC=CC=C1)C2=CC3=C(C=CC=C3)C=C2~   10.248
24786 O=C(OC1=C(C=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~    6.007
24787 O=C(C1=CC=CC=C1)C2=CC=C(OC3=CC=CC=C3)C=C2~    7.372
24788 CC1=CC=C2C=C3C(=CC2=C1CC(O)=O)SC4=CC=CC=C34~   11.015
24791 O=C(OCC1=CC2=C(OCO2)C=C1)C3=C4C=CC=CC4=CC=C3~    9.498
24792 C[C]12C3C4=CC=CC=C4C(C5=CC=CC=C35)[C]1(O)C(=O)OC2=O~    8.299
24793 OC1=C([CH](OC1=O)C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3~   10.318
24794 COC(=O)C(=C1OC(=O)C(=C1O)C2=CC=CC=C2)C3=CC=CC=C3~   12.572
24796 OC1=CC=C(C=C1O)C2(OS(=O)(=O)C3=CC=CC=C23)C4=CC=C(O)C(=C4)O~   24.646
24797 CC1=C2CCC3=C2C(=CC4=C3SC5=CC=CC=C45)C=C1~    6.313
24798 C1=CC=C(C=C1)N=C(C2=CC=CC=C2)C3=CC=CC=C3~    5.100
24800 C1=CC2=CC=CC(=C2C=C1)[N+]3=CC=CC4=C3C=CC=C4~   15.613
24801 O=NSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3~    6.733
24802 CC(=O)N1C2=C(SC3=C1C=CC4=C3C=CC=C4)C=C(C)C=C2~   10.043
24803 O=C(OC1=CC=CC=C1)N(C2=CC=CC=C2)C3=CC=CC=C3~    7.381
24804 [O-][N+](=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3~    6.815
24805 OC(=O)C1=C(C=CC=C1)N(C2=CC=CC=C2)C3=CC=CC=C3~    9.963
24806 O=C(NC1=CC=CC=C1)OC2=C(C=CC=C2)C3=CC=CC=C3~    9.208
24807 CC1=CC=C(N=C1)C2(O)C3=C(OC4=C2C=CC=C4)C=CC=C3~   12.693
24808 OC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)C3=CC=CN=C3~   10.883
24809 COC1=CC=C(C=C1OC)C2=NC3=C4C=CC=CC4=CC=C3O2~   10.745
24811 O=S(=O)(NC1C2=C(OC3=C1C=CC=C3)C=CC=C2)C4=CC=CC=C4~    9.222
24813 NC1=CC=C(C=C1)C2=C3C=CC=CC3=NC4=C2C=CC(=C4)N~   15.191
24814 N#C[CH]1C=CC=CN1C(=NC2=CC=CC=C2)C3=CC=CC=C3~   10.633
24816 NC1=C2C=CC=CC2=C(C=C1N=NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)S(O)(=O)=O~   23.137
24818 CSC1=NC(=C2N=C(C3=CC=CC=C3)C(=NC2=N1)C4=CC=CC=C4)N~   15.323
24819 C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3~    4.412
24820 C(C1=NC2=CC=CC=C2C=C1)[N+]3=C4C=CC=CC4=CC=C3~   15.821
24822 C(C1=NC2=CC=CC=C2C=C1)[N+]3=CC4=CC=CC=C4C=C3~   15.821
24823 N(C1=CC=CC=C1)C2=CC=C(C=C2)N=CC3=CC=CC=C3~    7.717
24825 CC(=O)NC1=CC=C(C=C1)C=NC2=CC3=C(C=CC=C3)C=C2~   10.959
24826 C1CN=C(N1)C2=CC=C(C=C2)C3=CC=C(O3)C4=CC=CC=C4~    9.640
24827 O=C(NN(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~   10.580
24828 N(C(OC1=CC=CC=C1)=NC2=CC=CC=C2)C3=CC=CC=C3~    9.524
24831 O[C]1(C[C]2(NC(=O)NC2=O)C=C1C3=CC=CC=C3)C4=CC=CC=C4~   15.602
24833 CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3[CH]2NC(=O)C=CC(O)=O~   18.602
24834 CC(=O)NC1=CC=C2C(=C1)CC3=C2C=CC(=C3)NC(=O)C=CC(O)=O~   18.066
24835 CCOC(=O)[CH](CC1=CC=C(C=C1)[N+]([O-])=O)N2C(=O)C3=CC=CC=C3C2=O~   12.223
24836 COC(=O)[CH](CSCC1=CC=C(C=C1)[N+]([O-])=O)N2C(=O)C3=CC=CC=C3C2=O~   14.318
24837 NC1=CC=C(C=C1)[C]2(NC3=CC=CC=C3S2)C4=CC=CC=C4~   10.361
24838 N(N=C(N=NC1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~    9.485
24839 C1=CC=C(C=C1)N2N=C(N=[N+]2C3=CC=CC=C3)C4=CC=CC=C4~   18.208
24840 CC1=CC(=CC=C1O)N=NC2=CC=C(C=C2)N=NC3=CC=CC=C3~   11.336
24841 [O-][N+](=O)C1=CC=C(CCC(CCC2=CC=C(C=C2)[N+]([O-])=O)(C#N)C#N)C=C1~   14.399
24843 C(SC1=C2N=CN(CC3=CC=CC=C3)C2=NC=N1)C4=CC=CC=C4~   10.504
24847 CC1=CC=C(C=C1)C2=NC3=C(N)N=C(N=C3N=C2N)C4=CC=CC=C4~   18.903
24848 CC1=CC(=CC=C1)C2=NC3=C(N)N=C(N=C3N=C2N)C4=CC=CC=C4~   18.903
24849 COC1=CC=C(C=C1)C2=NC3=C(N)N=C(N=C3N=C2N)C4=CC=CC=C4~   20.173
24853 O[CH](C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=CC=C3~    8.870
24854 O=C1[CH]2CC=C[CH]2C1(C3=CC=CC=C3)C4=CC=CC=C4~    6.764
24855 CC1=C(C)C(=C2C=CC=CC2=C1)C(=O)C3=CC=CC=C3~    6.636
24860 O=S(=O)(C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~    8.090
24862 COC1=C2C=CC=CC2=C(CC3=C(C=CC=C3)C(O)=O)C=C1~   10.253
24863 OC1=CC(=C(C=C1)C(C2=CC=CC=C2)C3=C(O)C=C(O)C=C3)O~   20.343
24864 COC1=CC(=CC=C1)C2=C(C=C(O)C3=C2C=C(OC)C=C3)C(O)=O~   15.529
24865 COC1=CC(=CC=C1)C2=C(C=C(O)C3=C(OC)C=CC=C23)C(O)=O~   15.529
24866 CCOC(=O)C1=CC(=O)C2=C(O1)C=C(OCC3=CC=CC=C3)C=C2~   10.266
24867 COC1=C(OC)C=C(C=C1)C2=CC3=CC=C(OC(C)=O)C=C3OC2=O~   10.883
24869 S(C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~    5.991
24871 NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3~    8.399
24872 CC1(C)CC2=C(N=C3C=CC=CC3=C2)C4=C1C=CC=C4~    7.301
24873 CC1=CC=CC=[N+]1C2C3=C(C=CC=C3)C4=CC=CC=C24~   12.424
24874 CCC1=C2C=CC3=C(C=CC=C3)C2=C[N+]4=CC=CC=C14~   15.228
24875 CC1(C)[CH](O)C2=C(N=C3C=CC=CC3=C2)C4=CC=CC=C14~   11.738
24877 CC1=CC=C(C)N1C2C3=C(OC4=C2C=CC=C4)C=CC=C3~    6.815
24879 O=C1[CH](CCC2=C1C=CC=C2)[N+]3=CC4=CC=CC=C4C=C3~   14.900
24880 O=C(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=CC=C3~   14.812
24884 O=C(CCCC1=CC=CC=N1)C2=C3C=CC=CC3=CC=C2~    9.750
24885 CC1=CC=C(C=C1)N2COC3=CC=C4C=CC=CC4=C3C2~    6.535
24888 CC(=O)N[CH](C1=CC=CC=C1)C2=C3C=CC=CC3=CC=C2O~   14.788
24889 CCC(=O)C1=C2C=C(OC)C=CC2=NC(=C1)C3=CC=CC=C3~   11.121
24890 C[CH](NC(=O)OC1=C2C=CC=CC2=CC=C1)C3=CC=CC=C3~    9.474
24891 CCOC(=O)C1=C2C=CC=CC2=NC(=C1C)C3=CC=CC=C3~    9.302
24893 CCN(C(=O)C1=CC2=C(C=CC=C2)C=C1O)C3=CC=CC=C3~    9.372
24897 O=S(=O)(N(CC1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~    6.415
24898 COC1=C(OC)C=C(C=C1)C=NC2=C(O)C=CC3=C2C=CC=C3~   11.456
24899 CCOC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=C(OC)C=C3~   10.573
24901 CN1C=C([CH](CC(=O)C2=CC=CC=C2)C(O)=O)C3=C1C=CC=C3~   13.562
24902 CCOC1=C(NC(=O)C2=CC3=C(C=CC=C3)C=C2O)C=CC=C1~   11.910
24903 CCOC1=CC=C(NC(=O)C2=CC3=C(C=CC=C3)C=C2O)C=C1~   11.910
24904 OCC1=CC(=O)C(=C(O1)[CH](NC2=CC=CC=C2)C3=CC=CC=C3)O~   11.764
24906 CCOC(=O)[CH]1[CH](N(C(=O)C1=O)C2=CC=CC=C2)C3=CC=CC=C3~   13.247
24909 O=S(=O)(N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3~    8.038
24910 COC1=CC(=CC(=C1OC)OC)C2=C3C=C4OCOC4=CC3=CC=N2~   13.896
24911 COC1=CC=C(C=C1OC)C(=O)CCN2C(=O)C3=C(C=CC=C3)C2=O~   13.857
24912 CCOC(=O)N(C1=CC=CC=C1)C2=CC3=C(C=C2)C(=CC(=C3)S(O)(=O)=O)O~   18.150
24913 N(C1=CC=CC=C1)C(NC2=CC=CC=C2)=NC3=CC=CC=C3~   11.406
24915 NC1=CC=C(C=C1)C(=CC2=CC=CC=N2)C3=CC=C(N)C=C3~   15.043
24916 CC1=CC(=C2C=C(NC(=O)C=CC3=CC=CC=C3)C=CC2=N1)N~   17.139
24918 [O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=N2)C3=CC=CC=C3~   11.578
24919 [O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=NC=C2)C3=CC=CC=C3~   11.578
24921 NC1=CC=C(C=C1)C(=O)NC2=CC(=C(NC3=CC=CC=C3)C=C2)S(O)(=O)=O~   22.406
24922 COC1=C(C=CC=C1)N=NC2=C(O)C3=C(NC(C)=O)C=C(C=C3C=C2S(O)(=O)=O)S(O)(=O)=O~   29.656
24926 CN(C)C1=CC=C(C=C1)C=CC2=C3C=CC=CC3=NC=C2~    9.600
24927 CN(C)C1=CC=C(C=CC2=CC=C3C=CC=CC3=N2)C=C1~    9.600
24928 NC1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(N)C=C3~   11.315
24929 C(C(CC1=CC=CC=C1)C2=CN=CC=N2)C3=CC=CC=C3~    7.432
24931 C1CN(CCO1)C2=CC(=NC3=CC=CC=C23)C4=CC=CC=C4~   11.240
24932 CC(=O)NC=C(C1=CC=CC=C1)C2=C(C)NC3=CC=CC=C23~   13.807
24933 CN(C)C1=CC=C(NC(=O)C2=CC3=C(C=CC=C3)C=C2O)C=C1~   12.606
24934 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(NC3=CC=CC=C3)C=C2~   10.300
24935 CCOC(=O)[CH](CC1=CC=C(N)C=C1)N2C(=O)C3=CC=CC=C3C2=O~   13.271
24936 CN(C)C1=CC=C(C=C1)C=NC2=CC3=CC(=CC(=C3C=C2)O)S(O)(=O)=O~   17.130
24937 CC1=CC(=C(C=C1C)N=NC2=C(O)C(=CC3=C2C=CC(=C3)S(O)(=O)=O)S(O)(=O)=O)C~   22.359
24938 CN(C)C1=CC=C(C=C1)C=NC2=CC(=CC3=CC(=CC(=C23)O)S(O)(=O)=O)S(O)(=O)=O~   23.460
24939 CC1=NC(=NC(=C1)SCC2=CC=CC=C2)SCC3=CC=CC=C3~    7.569
24940 NC(=O)C(CCC1=C(C=CC=C1)[N+]([O-])=O)(CCC2=C(C=CC=C2)[N+]([O-])=O)C#N~   17.836
24941 NC(=O)C(CCC1=CC=C(C=C1)[N+]([O-])=O)(CCC2=CC=C(C=C2)[N+]([O-])=O)C#N~   17.836
24942 C(NC1=NC2=C(C=NN2)C(=N1)NCC3=CC=CC=C3)C4=CC=CC=C4~   14.565
24943 CN1C(=O)N(C)C2=C(N(C)C(=N2)NN=CC3=C4C=CC=CC4=CC=C3)C1=O~   15.573
24945 CC1=C2C(=C(CCCC(O)=O)C=C1)C=CC3=C2C=CC=C3~    9.086
24946 CC1=CC(=C(C(=C1)C)C(=O)C=CC(=O)C2=CC=CC=C2)C~    9.234
24948 C=CCOC(=O)[CH](C(=O)CC1=CC=CC=C1)C2=CC=CC=C2~    8.996
24950 COC1=C(OCC2=CC=CC=C2)C=CC(=C1)C=C3CCOC3=O~    9.093
24951 C=CC[CH](OC(=O)CC1=CC=CC=C1)C2=CC3=C(OCO3)C=C2~    8.635
24952 CCOC(=O)C(CC(O)=O)=C(C1=CC=CC=C1)C2=CC=CC=C2~   11.542
24953 CCOC(=O)[CH](C(=O)C1=CC=CC=C1)C(=O)C2=CC=C(OC)C=C2~   12.613
24954 CCOC(=O)C=C(OC(=O)C1=CC=C(OC)C=C1)C2=CC=CC=C2~    8.914
24955 COC1=C(OC)C=C(C=C1)C(=CC2=CC=C(OC(C)=O)C=C2)C(O)=O~   13.613
24956 COC1=CC=C(C=C1)C=C2OC3=C(OC)C(=CC(=C3C2=O)OC)OC~   11.504
24957 CC(=O)OC1=C([CH](C[CH]1OS(O)(=O)=O)C2=CC=CC=C2)C3=CC=CC=C3~   12.175
24958 C=CCOC(=O)OC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(OCC=C)C=C2~    8.967
24959 CCOC(=O)C1=C(OC(=O)OC2=C(C=CC=C2)C(=O)OCC)C=CC=C1~    8.208
24960 COC1=CC(=C(C(=C1OC)O)C(=O)C=CC2=CC3=C(OCO3)C=C2)OC~   14.137
24961 C(CCC1=NC2=C(C=CC=C2)C=C1)CC3=CC=CC=C3~    6.845
24962 CN(CC1=CC=CC=C1)CC2=C3C=CC=CC3=CC=C2~    7.635
24963 CN1C[CH](C2=CC=CC=C2)C(=O)C(C1)=CC3=CC=CC=C3~   10.489
24965 COC1=CC=C(CCC2=NC3=C(C=C2)C=C(OC)C=C3)C=C1~    9.545
24966 CCOC(=O)C[CH]([CH](C#N)C1=CC=CC=C1)C2=CC=CC=C2~    8.955
24967 O=C(C=C(N1CCOCC1)C2=CC=CC=C2)C3=CC=CC=C3~   11.783
24968 COC1=C(C=CC=C1C)C(=O)C[N+]2=CC3=CC=CC=C3C=C2~   15.893
24969 COC1=C(C=C(C)C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2~   15.893
24970 COC1=CC=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2C~   15.893
24972 CN(CC1=C(O)C=C(O)C=C1)CC2=C3C=CC=CC3=CC=C2O~   19.582
24973 COC1=CC=C2C[CH]3N(C)CCC4=CC5=C(OCO5)C(=C34)C2=C1O~   15.417
24974 OC(=O)CCCCC(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2~   15.559
24975 C[CH](OC(=O)C1=CC=CC=C1)C(=O)NCCOC(=O)C2=CC=CC=C2~   13.167
24977 CC[CH](OC(=O)C1=C(C=CC=C1[N+]([O-])=O)C(O)=O)[CH](C)C2=CC=CC=C2~   12.161
24979 OC1=C(CN(CCC#N)CCC#N)C=C(C=C1)C2=CC=CC=C2~   17.146
24980 NC(=O)CCN(CCC(N)=O)C1=CC2=C(C=C1)C3=CC=CC=C3C2=O~   18.159
24981 CN(CCN1C(=O)C2=CC=CC=C2S1(=O)=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O~   15.863
24984 N#CC1(CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3~    9.991
24985 C(N(CC1=CC=CC=C1)CC2=CC=CC=C2)C3=CC=CN3~   10.489
24987 CN(C)C1=CC=C(C=CC(=O)C2=CC=C(NC(C)=O)C=C2)C=C1~   14.375
24988 C[N+]1=C(C=CC2=CC(=CC=C2)[N+]([O-])=O)C(C)(C)C3=C1C=CC=C3~   14.757
24989 C[N+]1=C(C=CC2=CC=C(C=C2)[N+]([O-])=O)C(C)(C)C3=C1C=CC=C3~   14.757
24991 CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3~    8.183
24993 OC(=O)CCC1=CC=C(NC(=O)CNC(=O)OCC2=CC=CC=C2)C=C1~   15.693
24994 CCOC(=O)C1=CC=C(NC(=O)NC2=CC=C(OC(=O)CC)C=C2)C=C1~   13.818
24996 O=C(NC1=CC=C(CC2=CC=C(NC(=O)N3CC3)C=C2)C=C1)N4CC4~   20.719
24999 CC1=CC=C(NS(=O)(=O)C2=CC=C(N)C=C2)C=C1NS(=O)(=O)C3=CC=C(N)C=C3~   17.857
25001 CC1=CC=CC(=N1)NC(NC2=NC(=CC=C2)C)=NC3=CC=CC(=N3)C~   19.928
25002 CC(=O)NC1=CC=C(C=C1)C=NNC(=O)NN=CC2=CC=C(NC(C)=O)C=C2~   22.652
25003 NC1=NC(=C2N=C(CNC3=CC=C(C=C3)C(=O)N[CH](CCC(O)=O)C(O)=O)C=NC2=N1)N~   32.124
25004 CC1=CC=C(C=C1)C(=O)CCCC(=O)C2=CC=C(C)C=C2~    8.553
25005 O=C1OCCCC1(CC2=CC=CC=C2)CC3=CC=CC=C3~    5.807
25006 COC1=CC2=C(C=C1)C3=C(C=C2)[CH]4CCC(=O)[C]4(C)CC3~    7.812
25007 CCC(=O)C1=CC=C(CC2=CC=C(C=C2)C(=O)CC)C=C1~    8.553
25009 CCCCOC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2~    7.493
25011 OC1=C(CCC[CH]2CCCC=C2)C(=O)C3=C(C=CC=C3)C1=O~    7.845
25012 C[CH]1O[CH](O[CH]2CO[CH](O[CH]12)C3=CC=CC=C3)C4=CC=CC=C4~   10.810
25013 CCCCOC(=O)C1=CC=CC(=C1)C(=O)OCC2=CC=CC=C2~    7.375
25015 CC[CH]([CH](C(C)=O)C1=CC=C(O)C=C1)C2=CC(=CC=C2)C(O)=O~   14.801
25016 CC[C]1(CCC2=C(C=C(OC)C3=C2C=CC=C3)C1=O)C(=O)OC~    9.812
25017 CO[CH](OC(=O)C1C2=C(C=CC=C2)C3=CC=CC=C13)C(C)(C)O~   12.399
25018 CCOC(=O)C(C(=O)OCC)(C1=CC=CC=C1)C2=CC=CC=C2~    8.320
25020 C1OC(OCC12COC(OC2)C3=CC=CC=C3)C4=CC=CC=C4~   10.810
25023 OC(=O)C(CCOC1=CC=CC=C1)(CCC2=CC=CC=C2)C(O)=O~   14.355
25024 COC1=C(OC)C=C(C=CC(=O)C2=CC=C(OC)C(=C2)OC)C=C1~   11.547
25025 COC1=C(OCOC2=C(OC)C=C(C=C2)C(C)=O)C=CC(=C1)C(C)=O~   13.796
25027 COC1=CC(=CC(=C1OC)OC)C(=O)CCC2=CC3=C(OCO3)C=C2~   12.597
25028 COC1=CC=C(C=C1OC)C(=O)COC2=C(OC)C=C(C=C2)C(C)=O~   12.947
25029 O[CH](COC(=O)C1=CC=CC=C1)[CH](O)[CH](O)COC(=O)C2=CC=CC=C2~   14.606
25031 CN1CCC(CC1)=C(C2=CC=CC=C2)C3=CC=CC=C3~    7.055
25034 CCN(CC)C(=CC(=O)C1=CC=CC=C1)C2=CC=CC=C2~    9.374
25036 CN1CCC(O)(CC1)C2C3=C(C=CC=C3)C4=CC=CC=C24~   11.381
25037 C[N+]1=C(C=CC2=CC=C(O)C=C2)C(C)(C)C3=C1C=CC=C3~   16.336
25040 O=C([CH](N1CCCCC1)C2=CC=CC=C2)C3=CC=CC=C3~    8.093
25041 CN1CCC(=O)C(CC1)(C2=CC=CC=C2)C3=CC=CC=C3~    9.907
25045 OC(=O)[CH](N1CCCCC1)C2=CC=C(C=C2)C3=CC=CC=C3~   10.460
25046 O=C([CH](CN1CCCC1)OC2=CC=CC=C2)C3=CC=CC=C3~    9.812
25047 CCOC1=CC2=C(C=C1OCC3=CC=CC=C3)C(=NCC2)C~    7.023
25049 O=C([CH](CN1CCOCC1)C2=CC=CC=C2)C3=CC=CC=C3~   11.447
25053 O=C(CN1CCOCC1)C(C2=CC=CC=C2)C3=CC=CC=C3~   10.660
25054 O=C(CC1=CC=CC=C1)[CH](N2CCOCC2)C3=CC=CC=C3~   10.660
25056 COC1=C(OC)C=C(C=C1)C=NC2=C(O)C=CC3=C2CCCC3~   10.470
25058 CCCCCOC(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2~    9.757
25059 CC(C)=NOCCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~    7.289
25060 O[CH]([CH](C(=O)N1CCOCC1)C2=CC=CC=C2)C3=CC=CC=C3~   15.932
25061 CC(C)(SCC1=CC=CC=C1)[CH](NC(=O)C2=CC=CC=C2)C(O)=O~   14.839
25062 COC1=CC=C(CC2=CNC3=C2C=C(OC)C(=C3)OC)C=C1OC~   12.015
25063 OC(=O)[CH](CCSCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2~   14.801
25067 COC1=CC(=CC(=C1OC)OC)C(=O)NCCC2=CC3=C(OCO3)C=C2~   15.903
25068 C1CSC(=NC2=CC=CC=C2)[CH](C1)CCC3=CC=CC=C3~    5.719
25069 CCN(CC)C(=N)NC1=C2C=CC=CC2=C3C=CC=CC3=C1~   11.983
25070 C1CN(CCN1CC2=CNC3=C2C=CC=C3)C4=CC=CC=C4~   12.481
25072 CCN(CCO)C1=NC(=O)C(N1)(C2=CC=CC=C2)C3=CC=CC=C3~   17.652
25073 CCN(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C=C1)[N+]([O-])=O~   15.740
25074 N[CH](CC1=CC=C(NC(=O)CNC(=O)OCC2=CC=CC=C2)C=C1)C(O)=O~   18.381
25075 CC(C)NC(=N)NC(=N)NC1=C2C=CC=CC2=C3C=CC=CC3=C1~   17.492
25077 C[CH](CN(C)C)C(C#N)(C1=CC=CC=C1)C2=CC=CC=C2~    9.636
25078 C[N+]1=C(C=CC2=CC=C(N)C=C2)C(C)(C)C3=C1C=CC=C3~   15.804
25079 CN(C)C1=CC=C(C=C1)C=CC2=[N+](C)C3=C(C2)C=CC=C3~   14.398
25080 CN(C)CCCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2~    9.636
25083 O[CH]([CH]1C[CH]2CCN1C[CH]2C=C)C3=C4C=CC=CC4=NC=C3~   13.839
25084 COC1=CC2=C(C=C1)N(CC3=CC=CC=C3)C(=C2CCN)C~   10.824
25085 CCN(CC)CCN1C2=C(C=CC=C2)C(=O)C3=C1C=CC=C3~   10.388
25086 CN(C)C[CH](O)C1C2=C(C=CC=C2)N(C(C)=O)C3=C1C=CC=C3~   15.386
25087 CC1=C(C)C=C(NC(=O)CC(=O)NC2=CC(=C(C)C=C2)C)C=C1~   11.914
25088 O=C(CCCC(=O)NCC1=CC=CC=C1)NCC2=CC=CC=C2~   12.827
25089 CN1CCN(CC1)C(=O)C(O)(C2=CC=CC=C2)C3=CC=CC=C3~   13.799
25090 CC(C)C1=CC(=C(C)C=C1O)N=CC2=CC=C(NC(C)=O)C=C2~   13.599
25091 C1OC2=C(O[CH]1CN3CCN(CC3)C4=CC=CC=C4)C=CC=C2~   11.428
25093 CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC2=CC=CC=C2~    9.848
25095 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C(N)=O)C3=CC=CC=C3~   13.547
25096 COC1=CC=C(C=CC(C[CH](NO)C2=CC=C(OC)C=C2)=NO)C=C1~   16.573
25097 CCC(CC)(C(=O)NC1=C(O)C=CC=C1)C(=O)NC2=C(O)C=CC=C2~   19.559
25098 CC(=O)COC(=O)[CH]1N2[CH](SC1(C)C)[CH](NC(=O)CC3=CC=CC=C3)C2=O~   13.750
25099 CCOC(=O)C1=C(CC2=C(OC(=O)CC)C(=C(N2)C=O)C)NC(=C1C)C=O~   17.851
25100 CCOC(=O)C1=C(CC2=C(C(=C(N2)C(O)=O)C)C(=O)OCC)NC(=C1C)C(O)=O~   22.309
25101 CC(=O)NS(=O)(=O)C1=CC=C(OCCCOC2=CC=C(C=C2)S(=O)(=O)NC(C)=O)C=C1~   15.604
25102 CCN1CCC[CH](C1)N2C3=C(SC4=C2C=CC=C4)C=CC=C3~    9.412
25103 CCOC1=C(C=CC=C1)C=NNC(=S)NN=CC2=C(OCC)C=CC=C2~   10.343
25105 CCOC1=CC(=CC=C1O)C=NNC(=S)NN=CC2=CC(=C(O)C=C2)OCC~   18.308
25107 COC1=C(OC)C=C(C=C1)C=NNC(=O)NN=CC2=CC(=C(OC)C=C2)OC~   15.682
25108 CCOC1=CC(=CC=C1O)C=NNC(=O)NN=CC2=CC(=C(O)C=C2)OCC~   20.943
25109 COC1=CC=CC(=C1OC)C=NNC(=O)NN=CC2=C(OC)C(=CC=C2)OC~   15.682
25110 CN1C(=O)N(C)C2=C(N(C[CH](COS(=O)(=O)C3=CC=C(C)C=C3)OC(C)=O)C=N2)C1=O~   17.742
25111 CC(C)(C)C(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2~    6.000
25112 CC(=O)C1=CC=C(CCCCCC2=CC=CC=C2)C=C1~    5.567
25114 CCC(=C(CC)C1=CC=C(OC)C=C1)C2=CC=C(O)C=C2~    8.481
25116 CO[C]1(C)C2=C(C=CC=C2)[C](C)(OC)C3=C1C=CC(=C3)C~    7.287
25117 OC(=O)CCCC1=C2C=CC=CC2=C(C=C1)C3CCCC3~    7.939
25118 CC(C)C1=CC=CC(=C1)OC(=O)OC2=CC(=CC=C2)C(C)C~    3.493
25119 CC(C)C1=CC=C(OC(=O)OC2=CC=C(C=C2)C(C)C)C=C1~    3.493
25120 CCCCCC(=O)OC1=CC=C(OCC2=CC=CC=C2)C=C1~    6.017
25122 CC[CH]([CH](C(O)=O)C1=CC=C(OC)C=C1)C2=CC=C(OC)C=C2~   10.535
25123 CC[CH]([CH](C(O)=O)C1=CC=C(OC)C=C1)C2=CC=CC(=C2)OC~   10.535
25124 CO[CH](OC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C(C)(C)O~   11.943
25125 C[C]12CCC(=O)C=C1CC[CH]3[CH]4OC(=O)C[C]45C[CH](OC(=O)C5)[CH]23~   10.110
25127 C[C]12[CH](O)C=C[C]3(OC1=O)[CH]4CC[C]5(O)C[C]4(CC5=C)[CH]([CH]23)C(O)=O~   14.801
25128 CC1=CC=C(C=C1)S(=O)(=O)O[CH]2[CH](O)[CH](CO)O[CH]2OCC3=CC=CC=C3~   17.068
25130 CCCCCCNC1=CC2=C(C=C1)C3=CC=CC=C3C2~    6.272
25131 C1C[CH](CC2=CC=CC=C2)N[CH](C1)CC3=CC=CC=C3~    6.706
25132 CN1CC[CH](CC(C2=CC=CC=C2)C3=CC=CC=C3)C1~    6.487
25134 CN[CH](CC1=CC=CC=C1)C2=CC3=C(CCCC3)C=C2~    6.866
25135 C1CCN(CC1)CC(C2=CC=CC=C2)C3=CC=CC=C3~    6.487
25136 CC1=C(C=CC=C1)[CH](N2CCCCC2)C3=CC=CC=C3~    6.567
25138 CN1CCCC([CH](O)C1)(C2=CC=CC=C2)C3=CC=CC=C3~   10.924
25141 OCCN1CCC[CH]([CH]1C2=CC=CC=C2)C3=CC=CC=C3~   10.924
25142 O[CH](CN1CCCCC1)C2=C3C=CC=C4CCC(=C34)C=C2~    8.780
25143 OC1=CC=C(C=C1)[CH](CC2=CC=CC=C2)N3CCCCC3~   10.470
25147 CN(C)CCC(C(C)=O)(C1=CC=CC=C1)C2=CC=CC=C2~    9.550
25148 CCC(CC)([CH](OC(N)=O)C1=CC=CC=C1)C2=CC=CC=C2~    8.975
25150 O=C(CCCC1CCCCC1)OC2=C3N=CC=CC3=CC=C2~    7.453
25151 CCCCN(C(=O)C1=C(OCC)C=CC=C1)C2=CC=CC=C2~    8.337
25152 OC1=CC=C2C=CC=CC2=C1CCC(=O)NC3CCCCC3~   13.313
25153 C1CN(CCO1)C[CH](OCC2=CC=CC=C2)C3=CC=CC=C3~   10.597
25155 CN1CC[C](O)([CH](C1)[CH](O)C2=CC=CC=C2)C3=CC=CC=C3~   12.361
25156 CCOC1=C(C=CC=C1)C=NC2=C(C)C=C(O)C(=C2)C(C)C~    8.762
25158 O[CH]([CH](CC1=CC=CC=C1)N2CCOCC2)C3=CC=CC=C3~   12.979
25160 CC1(COCOC1)N[CH](CC2=CC=CC=C2)C3=CC=CC=C3~   10.115
25162 CCCCN[CH](C(=O)C1=CC=CC=C1)C2=CC=C(OC)C=C2~    9.306
25163 CC(=O)N(CC1=C2C=CC=CC2=CC=C1O)C3CCCCC3~   13.095
25164 O=S(=O)(N1CCCC[CH]1CCC2=CC=CC=C2)C3=CC=CC=C3~    6.524
25165 O[CH](CCN1CCOCC1)C2=CC=C(SC3=CC=CC=C3)C=C2~   14.120
25166 COC1=CC=CC(=C1OC)C=NC2=C(C)C=C(O)C(=C2)C(C)C~   10.114
25167 CCOC1=C(O)C=CC(=C1)C=NC2=C(C)C=C(O)C(=C2)C(C)C~   12.745
25168 COC1=CC=C(C=C1)[CH](CN(C)C)C(=O)C2=CC=C(OC)C=C2~   11.740
25170 CCOC(=O)N1CCC2=C(C=CC3=CC(=CC=C23)OC)[CH]1CC~    9.996
25171 COC1=C(OC)C=C(C=C1)C=NC2=C(C)C=CC(=C2O)C(C)C~   10.114
25173 CCOC(=O)N1CCC2=C3C=CC(=CC3=CC=C2[CH]1CCO)OC~   14.432
25174 COC1=CC(=CC(=C1OC)OC)[CH](N)CCC2=CC3=C(OCO3)C=C2~   13.680
25175 COC(=O)CCC1=CC=C(C=C1)N(CCO)S(=O)(=O)C2=CC=C(C)C=C2~   12.050
25178 CN(C)C1=CC2=C(C=C1C)C=C3C=C(C)C(=CC3=N2)N(C)C~   10.684
25179 CN1CCCN(CC1)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3~   11.714
25180 CCCN(CCC)C1=CC=C(C=C1)N=NC2=C(C=CC=C2)C(O)=O~   10.836
25182 CCN(CC)C1=CC(=C(C=C1)N=C2C=CC(=O)C=C2NC(C)=O)C~   14.397
25184 COC1=C(NC(=O)N2CCN(CC2)C3=CC(=CC=C3)C)C=CC=C1~   13.366
25186 COC1=C(NC(=O)N2CCN(CC2)C3=C(OC)C=CC=C3)C=CC=C1~   14.636
25187 CCN(CC)CCOC(=O)C1=CC=C(C=C1)N=NC2=CC=C(O)C=C2~   13.943
25188 CCN(CC)CCOC(=O)C1=CC=C(C=C1)N=NC2=C(O)C=C(O)C=C2~   17.924
25191 CC=C(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C~    7.310
25192 CC1=NCC[N+]1(CCC2=CC=CC=C2)CC3=CC=CC=C3~   16.056
25194 CN(C)CCCC(C(N)=O)(C1=CC=CC=C1)C2=CC=CC=C2~   13.073
25196 CN(C)CCCNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~   12.854
25198 CC(C)C1=CC(=C(C)C=C1O)N=CC2=CC=C(C=C2)N(C)C~    9.457
25199 CN(C)C1=CC=C(C=C1)C(C(C)=O)C2=CC=C(C=C2)N(C)C~   10.088
25200 CCC(=O)[C](CCN(C)C)(C1=CC=CC=C1)C2=CC=CC=N2~   12.310
25201 C[CH](CCC1=CC=CC=N1)C(=O)[CH](C)CCC2=CC=CC=N2~   11.519
25202 CC(C)(CCC1=CC=CC=N1)C(=O)CCCC2=CC=CC=N2~   11.519
25203 COC1=C(C=CC=C1)N2CCN(CC2)CSC3=CC=C(C)C=C3~    8.790
25205 C(COC1=CC=C(NC2=CC=CC=C2)C=C1)CN3CCOCC3~   12.429
25207 CC[N+]([O-])(CC)CCCN1C2=C(C=CC=C2)S(=O)C3=C1C=CC=C3~   20.353
25208 COC1=CC=C(CCNC(=S)NCCC2=CC=C(OC)C=C2)C=C1~   10.514
25209 CCOC1=CC=C(NC(=O)NC2=CC(=C(O)C=C2C)C(C)C)C=C1~   14.710
25211 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C)C=C(C=C2)N(C)C~   14.353
25212 CCOC(=O)C1=C(NC(=C1C)C)C=C2N=C(C)C(=C2C(=O)OCC)C~   10.740
25213 CCOC(=O)C(CC1=CN(C)C2=C1C=CC=C2)(NC(C)=O)C(=O)OCC~   14.735
25215 CC1=CC=C(SCN2CCN(CC2)C3=C(C)C=CC=C3)C=C1~    7.520
25216 CC1=CC=C(SCN2CCN(CC2)C3=CC(=CC=C3)C)C=C1~    7.520
25217 CC1=CC=C(SCN2CCN(CC2)C3=CC=C(C)C=C3)C=C1~    7.520
25218 C[CH]1CN(CCN1CSC2=CC=CC=C2)CSC3=CC=CC=C3~    7.854
25219 NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1~   16.304
25220 CCN(CC)C1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=C(NC(C)=O)C=C2~   14.533
25221 C[CH](O)[CH](O)[CH](O)[CH](O)C(C=NNC1=CC=CC=C1)=NNC2=CC=CC=C2~   17.462
25222 OC[CH](O)[CH](O)[CH](O)[CH](O)C(C=NNC1=CC=CC=C1)=NNC2=CC=CC=C2~   18.900
25224 CCC1=CC2=C(C=C1CC)N(C[CH](O)[CH](O)[CH](O)CO)C3=NC(=O)NC(=O)C3=N2~   18.199
25225 CCOC(=O)C1=C(CC2=C(C(=C(N2)C=NO)C)C(=O)OCC)NC(=C1C)C=NO~   21.272
25226 OCCNS(=O)(=O)C1=CC=C(NC(=O)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCO)C=C1~   25.243
25228 CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NCCCN4CCOCC4~   20.439
25229 CN(C)C1=CC=C(C=C1)C=NNC(=O)NN=CC2=CC=C(C=C2)N(C)C~   14.367
25230 CN1C(=O)N(C)C2=C(N(C)C(=N2)CCCC3=NC4=C(N3C)C(=O)N(C)C(=O)N4C)C1=O~   22.629
25231 CN1C(=O)N(C)C2=C(N=C(CCCCCC3=NC4=C(N3)N(C)C(=O)N(C)C4=O)N2)C1=O~   25.040
25232 CCN1C(=NC2=C1C(=O)N(C)C(=O)N2C)CCCC3=NC4=C(N3)N(C)C(=O)N(C)C4=O~   23.833
25233 C[CH]1CCC2=C(C1)C3=C(C=C(C(C)=O)C(=C3)C)C2(C)C~    4.848
25235 CC1(C)[CH]2CC[C]1(C)[CH](C2)OC(=O)C=CC3=CC=CC=C3~    4.987
25237 CC[CH]([CH](CC)C1=CC=C(OC)C=C1)C2=CC=C(O)C=C2~    7.914
25238 C[C]12CC=C3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CCC2=O~    7.418
25240 C[C]12CC[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CCC2=O~    7.762
25243 COC1=CC2=C(C=C1)[CH]3CC[C]4(C)[CH](O)C(=O)C[CH]4[CH]3CC2~    7.472
25244 C[C]12CC[CH]3[CH]([CH]1CCC2=O)C(=O)C=C4C=C(O)CC[C]34C~   11.116
25245 C[C]12CC(=O)[CH]3[CH](CC[CH]4CC(=O)C=C[C]34C)[CH]1CCC2=O~   10.924
25246 C[C]12CC[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CCC(=O)O2~    7.214
25249 C[C]12CC[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[C]1(O)CCC2=O~   12.200
25252 C[C]12CC[CH]3[CH](C=CC4=CC(=O)CC[C]34C)[CH]1CCC(=O)O2~    7.030
25253 C[C]12CC(=O)[C]3(S)[CH](CCC4=CC(=O)CC[C]34C)[CH]1CCC2=O~   12.302
25257 CC(C)=C[CH]1[CH](C(=O)OCCOC2=CC3=C(OCO3)C=C2)C1(C)C~    8.287
25258 CCOC=C1[CH](CC(=CC1=O)C)C2=C(OC)C(=C(OC)C=C2)OC~   10.317
25259 CCOC(=O)[C]1(CCCCC1=O)CCC(=O)OCC2=CC=CC=C2~   10.262
25260 CC(C)(COS(=O)(=O)CC1=CC=CC=C1)COS(=O)(=O)CC2=CC=CC=C2~   11.350
25262 C[CH]([CH](O)C1=C2C=CC=CC2=C3CCCCC3=C1)N(C)C~   10.754
25265 CN(C)CC1=CC(=CC(=C1O)C2=CC=CC=C2)C(C)(C)C~   10.216
25266 C[CH](CN(C)C)[C](O)(CC1=CC=CC=C1)C2=CC=CC=C2~   10.569
25267 CCCCCN[CH](CC1=CC=CC=C1)C2=CC=C(O)C=C2~   10.333
25268 CCN(CC)CCOC(C1=CC=CC=C1)C2=CC=CC=C2~    8.186
25269 C1C[N+](CCO1)(CCC2=CC=CC=C2)CC3=CC=CC=C3~   16.807
25270 CC(C)C1=CC=C(C=C1)[CH](CC2=CC=CC=C2)NCCO~   10.866
25271 CC1=CC=C(C=C1)[CH](CC2=CC=CC=C2)NC(C)(C)CO~   10.866
25272 CCN(CC)C[CH]([CH](O)C1=CC=CC=C1)C2=CC=CC=C2~   10.569
25274 CCCCCC1=CC=[N+](CC(=O)C2=CC=C(SC)C=C2)C=C1~   14.699
25277 CCCCN(CCCC)C(=O)OC1=C2C=CC=CC2=CC=C1~    7.424
25278 OCCN(CCO)C(CC1=CC=CC=C1)CC2=CC=CC=C2~   12.005
25280 COC1=CC=C(C=C1)[CH](CC2=CC=CC=C2)NCCCCO~   12.138
25282 CCCCCC1=CC=[N+](CC(=O)C2=CC=C(OC)C=C2)C=C1~   14.391
25283 CC(C)CNC[CH](O)CC1=CC=C(OC2=CC=CC=C2)C=C1~   11.354
25285 COC1CCC2C3CC4=C5C(=C(OC)C=C4)OC1C25CCN3C~   10.559
25286 COC1=C(OC)C=C(C[CH](O)CN(C)CC2=CC=CC=C2)C=C1~   13.270
25287 COC1=CC=CC(=C1OC)[CH](CC2=CC=CC=C2)NC[CH](C)O~   13.488
25288 CCN(CCO)[CH]([CH](O)C1=CC=C(OC)C=C1)C2=CC=CC=C2~   13.357
25289 CC1=CC=C(C=C1)[CH](CC2=CC=CC=C2)NC(CO)(CO)CO~   13.740
25290 COC1=CC(=CC=C1)[CH](N)CCC2=CC(=C(OC)C(=C2)OC)OC~   11.971
25291 COC1=CC=C(C=C1)[CH](N)CCC2=CC(=C(OC)C(=C2)OC)OC~   11.971
25292 COC1=CC=C(C=C1)[CH](CC2=CC=CC=C2)NC(CO)(CO)CO~   15.011
25293 CCN(CC)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C~    8.193
25294 CCN(CC)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)N(C)C~    7.359
25295 CC1=C(C=CC(C)=NNC(=O)C2=CC=NC=C2)C(C)(C)CCC1~   10.046
25296 CCCCOC1=CC=C(NC(=S)NC2=CC=C(C=C2)N(C)C)C=C1~    9.975
25297 CC(C)C[CH](NS(=O)(=O)CC1=CC=CC=C1)C(=O)NNC2=CC=CC=C2~   14.090
25299 CCNC1=CC=C(CC2=CC(=C(NCC)C=C2)C)C=C1C~    9.208
25300 CCCCN(CCCC)C(=N)C1=C2C=CC=CC2=CC=C1~    7.325
25304 CCN(CC)[CH](COCC1=CC=C(C)C=C1)C2=CC=CC=N2~   11.026
25305 C[CH](O)C(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C~   11.107
25306 COC1=CC=C(C=C1)[CH](CC2=CC=CC=C2)NCCNCCO~   15.907
25307 CC[N+](C)(CC)C1=CC(=CC=C1)OC(=O)NC2=CC=C(OC)C=C2~   19.987
25309 CCOC(=O)[CH](CC(C)C)NC(=O)C1=C[N+](=C2C=CC=CC2=C1)C~   17.585
25310 CCCCCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(N)C=CC=C2~   10.573
25313 CCOC(=O)C1=C(CC2=C(C(=C(C)N2)C)C(=O)OCC)NC(=C1C)C~   12.830
25314 CC1=CC(=CC(=C1)C)NS(=O)(=O)CCCS(=O)(=O)NC2=CC(=CC(=C2)C)C~   10.317
25317 CC1=CC2=C(C3=C1C(=O)CC3)C(C)(C)C(C)(C)C2(C)C~    4.686
25319 CC1=C2CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]2CC1~    3.928
25325 OC(=O)CCC1(CCC(O)=O)CC(CC(CCC(O)=O)(CCC(O)=O)C1=O)C(O)=O~   28.951
25327 C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CCC2=O~    7.434
25330 CC(C)=C[CH]1[CH](C(=O)OCC2=C(C)C=C(C)C=C2)C1(C)C~    4.119
25331 COC1=CC2=C(C=C1)[CH]3CC[C]4(C)C[CH](O)C[CH]4[CH]3CC2~    7.684
25332 C[CH]1C[CH]2[CH](CC[C]3(C)[CH]2CCC3=O)[CH]4CCC(=O)C=C14~    7.434
25333 C[C]12CC=C3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2O~    8.437
25334 CC(C)C1=C(OC(=O)[CH]2[CH](C=C(C)C)C2(C)C)C=CC=C1~    3.254
25336 CC(C)=C[CH]1[CH](C(=O)O[CH]2CC(=O)C(=C2C)CC=C)C1(C)C~    6.213
25338 C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CCC(=O)O2~    6.886
25339 C[C]12CCC(=O)C=C1CC[CH]3[CH]4CCC(=O)[C]4(C)C[CH](O)[CH]23~   11.870
25340 CCCCCCCCOC(=O)C=CC(=O)C1=CC=C(C)C=C1~    7.206
25341 C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CC[CH]2O~   10.218
25342 C=CCCCCCCCCC(=O)OCC1=CC2=C(OCO2)C=C1~    6.804
25343 COC1=CC=CC(=C1OC)COC(=O)[CH]2[CH](C=C(C)C)C2(C)C~    6.660
25344 CCCCCC(=CC1=CC=CC=C1)[CH]2OC[CH](COC(C)=O)O2~    7.695
25346 CCCCOC(=O)[CH](C)OC(=O)C1=C(C=CC=C1)C(=O)OCCCC~    7.562
25348 C[CH](CC(C1=CC=CC=C1)C2=CC=CC=C2)[N+](C)(C)C~   14.396
25350 CC1=C(C[CH](C2=C(C)C=CC=C2)[N+](C)(C)C)C=CC=C1~   14.556
25351 C1CCN(CC1)[CH](CC2=CC=CC=C2)[CH]3CCC=CC3~    5.067
25353 CCCN(CCC)[CH](C)[CH](O)C1=C2C=CC=CC2=CC=C1~   10.240
25354 O=C(N(C1CCCCC1)C2CCCCC2)C3=CC=CC=C3~    7.452
25355 O=C(OCCN1CCCC1)[CH](C2CCCC2)C3=CC=CC=C3~    7.879
25356 CCCCCN(CCCCC)C1C(=O)C2=CC=CC=C2C1=O~    9.247
25357 CCCCCCCCCCSCN1C(=O)C2=C(C=CC=C2)C1=O~    5.845
25358 CN(CCO)C[CH]1O[CH](O[CH]2[CH]1O[CH]3OC(C)(C)O[CH]23)C4=CC=CC=C4~   20.277
25359 CCOC(=O)C(CC1=C(C)C(=C(OC)C=C1)OC)(NC(C)=O)C(=O)OCC~   14.693
25360 C[CH]1C[C](C)(C[CH]([CH](CC2CC(=O)NC(=O)C2)OC(C)=O)C1=O)OC(C)=O~   15.263
25361 CCN(CC)C1CCC(CC1)NC2=C3N=CC=CC3=CC=C2~   12.071
25362 COC1=CC(=C2N=CC=CC2=C1)NCCCC[CH]3CCCCN3~   13.640
25364 CCN(CC)C(=O)[CH]1CCCN(C1)CC2=CNC3=C2C=CC=C3~   15.190
25365 CCN(CC)C(=O)C1CCN(CC1)CC2=CNC3=C2C=CC=C3~   15.190
25366 CCCCCCCCC(=O)NC1=CC2=C(N)C=C(C)N=C2C=C1~   14.652
25367 CCN(CC)C(=O)[CH]1CCCCN1CC2=CNC3=C2C=CC=C3~   13.889
25368 COC1=CC(=C2N=CC=CC2=C1OC)NCCC[CH]3CCCCN3~   14.991
25370 COC1=CC(=C2N=CC=CC2=C1)NC[C](C)(O)CN3CCCCC3~   17.860
25371 COC1=CC(=C2N=CC=CC2=C1)NC[CH](O)CN3CCCC[CH]3C~   17.860
25373 CN(C)CCC[C](C#N)(C1CCCCC1)C2=CC=CC=C2~    8.161
25374 CCCCN(CCCC)C[CH](O)C1=C2N=CC=CC2=CC=C1~   13.000
25376 CCCCN(CCCC)CCCN1C(=O)C2=C(C=CC=C2)C1=O~    9.971
25381 CCN(CC)C1=CC=C(NNCC2=CC=C(C=C2)N(C)C)C=C1~   12.202
25382 CC[C]1(C)CC[C](C)(CC)C2=C1C=C(C)C(=C2)C(C)=O~    4.251
25383 CC[C]1(C)C2=C(C=C(C(C)=O)C(=C2)C)C(C)(C)C1(C)C~    4.251
25384 CC(C)C1=CC2=C(C=C1C(C)=O)C(C)(C)CCC2(C)C~    4.251
25385 CCC(=O)C1=CC2=C(C=C1CC)C(C)(C)CCC2(C)C~    4.251
25387 C[C]12CC=CC[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O~    3.815
25389 C[C]12CC[CH]3[CH](CC=C4C[CH](S)CC[C]34C)[CH]1CCC2=O~    5.192
25390 O=C(CCCCCC1CCCCC1)OCC2=CC=CC=C2~    3.975
25392 C[C]12CC[CH]3[CH](CC=C4C[CH](O)CC[C]34C)[CH]1CCC2=O~    8.179
25393 C[C]12CCC(=O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O~    7.177
25395 C[C]12CC[CH](O)C[CH]1CC=C3[CH]2CC[C]4(C)[CH]3CCC4=O~    8.179
25396 C[C]12CC[CH]3[CH](C[CH](O)[C]45C[CH]4CC[C]35C)[CH]1CCC2=O~    8.551
25397 CCC1=CC2=C(C=C1COC(C)=O)C(C)(C)CCC2(C)C~    4.215
25398 CCCCCC(=CC1=CC=CC=C1)[CH]2O[CH](C)C[CH](C)O2~    4.827
25400 C[CH]1C[CH]2[CH]3CC[C]4(C)[CH](O)CC[CH]4[CH]3CCC2=CC1=O~    8.452
25401 C[C]12CC[CH]3[CH](CC[CH]4CC(=O)C=C[C]34C)[CH]1CC[CH]2O~    8.524
25402 CCCCCC(=CC1=CC=CC=C1)C2OCC(C)(C)CO2~    4.827
25403 C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2O~    8.452
25404 C[CH](O)C1=CC2=C(C=C1)[C]3(C)CCC[C](C)(CO)[CH]3C[CH]2O~    8.932
25405 C[C]12CC[CH]3[CH](C[CH](O)C4=CC(=O)CC[C]34C)[CH]1CC[CH]2O~    9.889
25408 C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2O~    9.889
25409 C[C]12CC[CH](O)C[CH]1CC(=O)[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O~   11.614
25410 C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1C[CH](O)[CH]2O~    9.889
25413 CCCCOCCOCCOCC1=C(CC=C)C=C2OCOC2=C1~   10.179
25415 O[C](C[CH]1CCCCN1)(C2CCCCC2)C3=CC=CC=C3~    9.668
25416 CN1CCCC[CH]1C[C](O)(C2CCCC2)C3=CC=CC=C3~    9.449
25417 CN1CC[CH](C1)C[C](O)(C2CCCCC2)C3=CC=CC=C3~    9.449
25422 CC(C)N(C)CCOC(=O)[CH](C1CCCC1)C2=CC=CC=C2~    7.524
25423 CCCN(CCC)C(=O)[CH](C1=CC=CC=C1)C2(O)CCCC2~   12.046
25424 CC(=O)N(CC1=CC(=CC=C1O)C(C)(C)C)C2CCCCC2~   11.672
25425 CCCOC1=CC(=C(C(=O)O[CH](C)CN2CCCC2)C(=C1)C)C~    8.524
25430 CCN(CC)CCOC(=O)[CH](C1=CC=CC=C1)C2(O)CCCC2~   11.963
25432 CCCCCCCCCCCCN1C(=O)C2=CC=CC=C2S1(=O)=O~    7.215
25433 CC[CH](C)COCCOCCCN1C(=O)[CH]2[CH]3C[CH](C=C3)[CH]2C1=O~   10.409
25434 CC(C)CCOCCOCCCN1C(=O)[CH]2[CH]3C[CH](C=C3)[CH]2C1=O~   10.409
25435 CC(C)CCOC(=O)C1=C(OCCCN2CCOCC2)C=CC=C1~   10.418
25436 CCCCCOC(=O)C1=C(OCCCN2CCOCC2)C=CC=C1~   10.418
25438 CCCCN(CCCC)C(=O)C1=CC=C(OC(=O)OCC)C(=C1)OC~    9.710
25440 CCN(CC)CCC[CH](C)NC1=C2C=CC(=CC2=NC=C1)C~   11.796
25442 COC1=CC(=C2N=CC=CC2=C1)NCCCCCNC(C)(C)C~   13.285
25443 CCN(CC)CCC[CH](C)NC1=NC2=CC=C(OC)C=C2C=C1~   13.067
25444 CCN(CC)CCC[CH](C)NC1=C2N=CC=CC2=CC(=C1)OC~   13.067
25446 CCCN(CCC)CCCNC1=C2N=CC=CC2=CC(=C1)OC~   13.067
25447 CCCN(CCNC1=C2N=CC=CC2=CC(=C1)OC)[CH](C)CC~   13.067
25448 CCCN(CCNC1=C2N=CC=CC2=CC(=C1)OC)CC(C)C~   13.067
25449 CCC[CH](C)N(CC)CCNC1=C2N=CC=CC2=CC(=C1)OC~   13.067
25452 CCN(CC)C(=O)C1CCN(CC1)CCC(=O)NC2=CC=CC=C2~   14.067
25454 CCCCCCC(=O)NC1=NC=NC2=C1N(C=N2)C(=O)CCCCCC~   14.759
25456 CC1=CC=C(C)N1CCCCCCCN2C(=CC=C2C)C~    5.384
25457 CC(C)[C](CCN1CCCC1(C)C)(C(N)=O)C2=CC=CC=C2~   11.597
25460 COC1=CC2=C(CCC(=O)C2(CCN(C)C)CCN(C)C)C=C1~   13.056
25461 CCCCCC[CH]1CCN(CC1)C[CH](O)C2=CC=C(C=C2)[N+]([O-])=O~   11.496
25462 CCOC(=O)N1CCN(CCOC2=CC=C(CC(C)C)C=C2)CC1~   11.963
25463 CCCCOC1=C(N)C=C(C=C1)C(=O)OCCNC2CCCCC2~   12.034
25465 CCCCCNCC(=O)NC1=CC=C(C=C1)C(=O)OCCCCC~   11.762
25466 CCCCOC(=O)C1=CC=C(NC(=O)CCCN(CC)CC)C=C1~   12.845
25468 CCCCCCOC(=O)C1=CC=C(NC(=O)CN(CC)CC)C=C1~   11.544
25469 CC(C)CNCCCC(=O)NC1=CC=C(C=C1)C(=O)OCC(C)C~   13.062
25470 CCCCOC1=CC=C(OCCN2CCN(CC2)C(=O)OCC)C=C1~   13.233
25472 CN1CCN(CC1)C(=O)NC2=CC=C(C)C(=C2)NC(=O)N3CCN(C)CC3~   25.987
25473 C[C]12CC[CH]3[CH](CC[CH]4CCC=C[C]34C)[CH]1CC[CH]2O~    4.833
25474 CC(C)CCOC1=CC2=C(C=C1)C(C)(C)CCC2(C)C~    2.536
25475 C[C]1(O)CC[CH]2[CH]3CCC4=CCCC[CH]4[CH]3CC[C]12C~    4.762
25483 C[CH]1CC(=O)C[CH]2CC[CH]3[CH](CC[C]4(C)[CH](O)CC[CH]34)[CH]12~    8.196
25484 C[C]12CC[CH]3[CH](CC[CH]4CC(=O)CC[C]34C)[CH]1CC[CH]2O~    8.196
25485 C[C]12CCCC[CH]1CC[CH]3[CH]4CCC(=O)[C]4(C)C[CH](O)[CH]23~    8.196
25486 CCCCCCCCCC1=CC=C(OC(=O)C(C)C)C=C1~    2.914
25488 C[CH]1C[CH]2[CH](CC[CH]3[CH]2CC[C]4(C)[CH](O)CC[CH]34)CC1=O~    8.196
25492 C[C]12CC[CH]3[CH](CC=C4C[CH](O)CC[C]34C)[CH]1C[CH](O)C2~    6.198
25493 C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O~    8.196
25494 CCCCCCCCCCCCOC1=CC=C(C=C1)C(O)=O~    6.839
25495 CC[CH](C)C1=C(OC[CH](C)OC(=O)C(CC)CC)C=CC=C1~    4.971
25496 CC[CH](C)C1=CC=C(OC[CH](C)OC(=O)C(CC)CC)C=C1~    4.971
25497 CCC(CC)C(=O)O[CH](C)COC1=CC=C(C=C1)C(C)(C)C~    4.971
25498 C[C]12CC[CH]3[CH](CC[CH]4C[CH](O)CC[C]34C)[CH]1CCC(=O)O2~    7.648
25501 C[C]12CC[CH](O)C[CH]1[CH](O)C[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O~    9.633
25503 CCCCOCCOCCOCC1=C(CCC)C=C2OCOC2=C1~   10.051
25505 CCCCCCCCCCN1CCC2=C(C1)C=CC=C2~    4.735
25506 CN(C)CC1=CC(=CC(=C1O)C2CCCCC2)C(C)(C)C~    8.799
25507 CC(C)C1=C(OCCN2CCCCC2)C(=CC=C1)C(C)C~    6.087
25508 CCN(CC)C[C](CC)(C1=CC=CC=C1)C2(O)CCCC2~    9.093
25509 CCN(CC)CCOC(=O)C1=C(C)C=C(C=C1C)C(C)(C)C~    6.896
25510 C[C]12CCCC[CH]1CC[CH]3[CH]4CCC(=NO)[C]4(C)C[CH](O)[CH]23~    9.000
25511 CCN(CC)[CH](C1CCCCC1)[CH](CC2=CC=CS2)OC(C)=O~    7.544
25513 CCCCCCCCCCOC(=N)C1=CC(=C(O)C=C1)OCC~    9.660
25514 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCCN(CC)CC~   10.710
25515 CCOC(=O)N1CCN(CCCCOC2=CC(=CC=C2)N(C)C)CC1~   13.928
25517 CCOC1=CC=C(NC(=O)OCCN2CCN(C(C)C)[CH](C)C2)C=C1~   15.115
25519 C[C]12CCC[CH]1[CH]3CC[CH]4CCCC[C]4(C)[CH]3CC2~    0.060
25520 C[N+](C)(C)CCCC#CC[N+]1(C)CCC2=C(C1)C=CC=C2~   20.021
25521 CCCCNC(=NC1=CC=C(C)C=C1)[CH](CC)CCCC~    5.287
25523 CCN(CC)CC1=CC(=CC(=C1O)N2CCOCC2)C(C)(C)C~   12.818
25524 CCCCCN(CCCCC)CCOC(=O)C1=CC=C(N)C=C1~   10.108
25525 CC(C)CCN(CCOC(=O)C1=CC=C(N)C=C1)CCC(C)C~   10.108
25526 CCCCCCCCNC(C)(C)COC(=O)C1=CC=C(N)C=C1~   10.327
25528 CCN(CC)CCOC(=O)C1=CC=C(OCCN(CC)CC)C=C1~   11.559
25529 CCCC[N+](C)(CCCC)CCCN1C(=O)C2=C(C=CC=C2)S1(=O)=O~   19.031
25530 CC1=CC(C)(C)NC(=S)N1[CH]2CCCC[CH]2C3CCCCC3~    4.733
25531 C[C]12CC[CH]3[CH](CC[CH]4CCCC[C]34C)[CH]1CC[CH]2O~    4.777
25532 C[C]12CCC[CH]1[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3CC2~    4.777
25534 C[C]12C[CH](O)[CH]3[CH](CC[CH]4CCCC[C]34C)[CH]1CC[CH]2O~    6.215
25537 C[C]12CC[CH]3[CH](CC[CH]4C[CH](O)CC[C]34C)[CH]1CC[CH]2O~    6.215
25538 COC(=O)CCCCCCCC[C]1(C)CC=C(C=C1)[CH](C)O~    6.708
25539 CCCCCCCCCCCCC[CH]1OC(=O)C(=C)[CH]1C(O)=O~    7.724
25540 CCCC[CH](CC)CO[CH](C)OCC1=C(OC)C(=CC=C1)OC~    6.860
25541 CC(=O)OCCC[CH](CC[CH](CC[CH]1CCCO1)OC(C)=O)OC(C)=O~   10.836
25542 CCOC(=O)C[CH](C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OCC~   10.396
25543 CCCCCCCCCCCC[N+]1=CC=C(C=C)C=C1~    8.759
25545 CCCCCCCCCC[N+]1(C)CC2=CC=CC=C2C1~   13.001
25546 CCCCCCCCCCCCNCC1=CC=C(O)C=C1~    8.502
25549 CC(=C)CN(CC(C)=C)C(=O)CCCCCCCCC=C~    5.662
25550 CCCC[CH]([CH]1CCC=C1)C(=O)OCCN2C[CH](C)[CH](C)C2~    6.105
25551 CCC[CH](C)CC(C)=CC(C)(C)[CH]1CC(=O)N(C(C)C)C1=O~    5.516
25552 CCCCN(CCCC)C[CH](O)CC1=CC=C(OCC)C=C1~   10.088
25553 CCOC(=O)C(C1CCCCCC1)(N2CCCCC2)C(=O)OCC~    7.618
25555 CCCCCCOC1=C(C=CC(=C1)N)C(=O)NCCN(CC)CC~   15.313
25556 CCCCCCCCCCCCC(=N)NS(=O)(=O)C1=CC=C(N)C=C1~    9.530
25557 CCC[N+](CCC)(CC(=O)N(CC)CC)CC1=CC=C(C=C1)[N+]([O-])=O~   20.173
25558 CCCCN(CN(CCCC)[CH]1CCC=C1)[CH]2CCC=C2~    4.342
25560 C1CCC(CC1)NC(OC2CCCCC2)=NC3CCCCC3~    7.113
25561 CCCC[N+](C)(CCCC)CCCOC(=O)C1=CC=C(N)C=C1~   18.374
25562 C[N+](C)(C)CCCCCCCCCCC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O~   21.361
25563 CCCCC[CH]1O[CH]1C[CH]2O[CH]2CCCCCCCC(=O)OC~    7.108
25565 CCCCCC(=O)O[CH](CC[CH]1CCCO1)CC[CH]2CCCO2~    7.507
25566 CCCCOC(=O)CC[CH](CC(=O)OCCCC)C(=O)OCCCC~    7.526
25567 CCCCOC(=O)[CH](C)OC(=O)OCCOCCOC(=O)OCC(CC)CC~    7.633
25569 CCC[CH](C1CCCC1)C(=O)OCCN2CC(C)(C)C[CH]2C~    6.049
25570 CCC[CH](C1CCCC1)C(=O)OCC(C)(C)CN2CCCC2~    6.049
25571 CCC[CH](C1CCCC1)C(=O)OCCN2C[CH](C)CC2(C)C~    6.049
25573 CCC[CH](C1CCCC1)C(=O)O[CH](C)CN2[CH](C)CC[CH]2C~    6.049
25574 CCC[CH](C1CCCC1)C(=O)OC[CH](C)N2CCCC2(C)C~    6.049
25575 CCCCCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC~   10.080
25576 CCCCCCOC(=O)OCCNC(=O)[CH](C)OC(=O)OCCCCCC~    9.432
25577 CCCCCCCCCCCCCC[N+]1=CC=CC(=C1)S(N)(=O)=O~   12.329
25578 C[N+](C)(CCC[N+](C)(C)CCOC1=NC(=NC=C1)N)CCOC2=NC(=NC=C2)N~   30.227
25579 CCC[CH]1O[CH](CCCCCCCCC=C)OC[CH]1CC~    2.810
25580 CC(C)[CH]1O[CH](CCCCCCCCC=C)OCC1(C)C~    2.810
25582 CCCCCC[CH](O)CC=CCCCCCCCC(=O)OC~    6.280
25584 CCCCCCCCCCCC(=O)O[CH](C)C(=O)O[CH](C)CC~    3.807
25586 CCC(CC)C(=O)OCCCCCCCOC(=O)C(CC)CC~    4.658
25589 CN(CCC1CCCCCC1)CCC2CCCCCC2~    3.180
25590 CCCCC[CH]1C(=CC(=C(C)[C]1(C)C[N+](C)(C)C)C)C~   11.074
25591 CCCCCCCCCC[N+]1(C)C[CH]2CC=CC[CH]2C1~   11.500
25592 CCC[CH](C1CCCC1)C(=O)OCC[N+]2(C)CCCC2(C)C~   14.314
25595 CCCC[CH](CC)C(=O)O[CH](C)C(=O)N(CCCC)CCCC~    7.442
25597 CCCCCCCCCCCC1=NCCCN1CCCC~    4.128
25598 CCCCCCCCCCCC1=NC(C)(C)CN1C(C)C~    4.128
25601 CCCCCCCCCC(=O)CCCCCCCCC~    2.336
25602 CCCCCCCCCCCCCCCCCC(=O)OC~    1.788
25603 CCCCCCCCCCCCCCCCCCC(O)=O~    4.169
25605 CCCCCCCCCC1OCC(CC)(CCCC)CO1~    2.682
25606 CCCCCCCCCCCCCC(=O)OCCC(C)C~    1.788
25608 CCCCCC[CH](O)CCCCCCCCCCC(=O)OC~    6.224
25611 CCCCCCCCCCCCCCCCCC(=O)NCO~    8.777
25613 CCCC[CH](CC)CN(C[CH](CC)CCCC)C(=O)[CH](C)O~    6.229
25615 CCCCCCCCCCCCCCCCCCOC(N)=O~    5.311
25616 CCCCCCCCCCCCCCCCNC(=O)OCC~    5.092
25619 CCCCCCCCCCCCCCCCSC(=S)N(C)C~    2.087
25622 CCCCCCCCCCCCCC1=NCC[N+]1(C)CCO~   16.830
25624 CCCCCCCCCCCCCCSC(NCC)=NCC~    6.086
25626 CCCCCCCCCCCCCCCCCCSC(N)=N~    6.523
25630 CCCC[CH](CC)COC[CH](N)COC[CH](CC)CCCC~    7.015
25631 CCCCCCCCCCCCCCCCCCNC(=S)NN~    6.747
25633 C[N+]1(CCCCCC1)CCCCC[N+]2(C)CCCCCC2~   17.260
25635 CC[N+](C)(CC)CCC[CH](C)[N+]1(C)C[CH]2CCCC[CH]2C1~   17.260
25636 CCCCN(CCCC)CC(O)CN(CCCC)CCCC~   10.456
25637 CC(C)CN(CC(C)C)CC(O)CN(CC(C)C)CC(C)C~   10.456
25639 CCN(CC)C[CH](CN(CC(C)C)CC(C)C)NCC(C)C~    9.788
25640 CN(C)CCN(CCCN(CCN(C)C)CCN(C)C)CCN(C)C~   20.222
25642 N#CC1(C#N)C2C3=CC=CC=C3C(C4=CC=CC=C24)C1(C#N)C#N~   17.350
25643 O=C1C=CC2=C3C1=CC=C4C5=CC=CC=C5C(=O)C(=C34)C=C2~   10.126
25645 O=C1C2=C(C(=O)C3=C1C=CC=C3)C4=C(O2)C=CC5=CC=CC=C45~   10.520
25647 C1=CC2=CC=CC3=C2C(=C1)C4=CC=CC5=CC=CC3=C45~    6.092
25648 C1=CC2=C(C=C1)C3=C4C(=C2)C=CC5=CC=CC(=C45)C=C3~    6.092
25649 C1=CC=C2N=C3C4=C(C=CC=C4)C5=CC=CC=C5C3=NC2=C1~    9.577
25652 O=C1C=CC(=O)N1C2=CC=C(C=C2)C3=CC=C(C=C3)N4C(=O)C=CC4=O~   17.020
25654 CC1=CC=C(C=C1)N=C2C3=CC(=CC=C3C4=C(C=C(C=C24)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O~   12.726
25655 CC1=CC(=CC=C1)N=C2C3=CC(=CC=C3C4=C(C=C(C=C24)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O~   12.726
25656 COC1=CC=C(C=C1)N=C2C3=CC(=CC=C3C4=C(C=C(C=C24)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O~   13.996
25657 [O-][N+](=O)C1=CC(=C(N(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(=C1)[N+]([O-])=O)[N+]([O-])=O~   11.378
25660 OC1=C2C3=C(O)C=CC4=C3C(=CC=C4)C5=C2C(=CC=C5)C=C1~   14.057
25661 O=C(SC1=CC2=C(C=C1)C3=CC=CC=C3C2=O)C4=CC=CC=C4~    9.509
25663 OC(=O)C1=C(C=CC=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O~   17.244
25664 OC1=C(O)C2=C(C=C1)C3(OC(=O)C4=C3C=CC=C4)C5=C(O2)C(=C(O)C=C5)O~   24.015
25665 O=C1C2=CC=CC=C2C3=C1C=C(C=C3)N=CC4=CC=CC=C4~    7.907
25666 [O-][N+](=O)C1=CC=C2C3=CC=CC=C3C(=CC4=CC=CC=C4)C2=C1~    8.118
25667 O=C(NC1=CC2=C(C=C1)C3=CC=CC=C3C2=O)C4=CC=CC=C4~   12.812
25669 OC(=O)C1=CC(=NC2=CC=CC=C12)C3=C4C=CC=CC4=CC=C3~   12.983
25670 OC1=CC=C(C=C1)C=C2C3=CC=CC=C3C4=C2C=C(C=C4)[N+]([O-])=O~   12.101
25671 O=C1N(C2C3=C(OC4=C2C=CC=C4)C=CC=C3)S(=O)(=O)C5=CC=CC=C15~   11.757
25672 O=C1C2=CC=CC=C2C(=O)C3=C(C=CC=C13)S(=O)(=O)NC4=CC=CC=C4~   12.863
25673 CC1=CC=C(C=C1)N=C2C3=C(C=CC(=C3)[N+]([O-])=O)C4=CC=C(C=C24)[N+]([O-])=O~   10.322
25676 OC1=CC(=C2C=C(C=CC2=C1N=NC3=C(O)C4=C(C=CC=C4)C=C3)[N+]([O-])=O)S(O)(=O)=O~   23.553
25679 C1=CC=C(C=C1)C23C(C4=CC=CC=C24)C5=CC=CC=C35~    5.161
25681 C1=CC2=NC=CC(=C2C=C1)C=CC3=C4C=CC=CC4=NC=C3~   11.695
25682 C1=CC=C(C=C1)C2=C(N=C3C=CC=CC3=N2)C4=CC=CC=C4~    8.660
25684 C1=CC=C2C=C(C=CC2=C1)N=NC3=CC4=C(C=CC=C4)C=C3~    6.854
25685 C1=CC=C2C=C(C=CC2=C1)N=NC3=C4C=CC=CC4=CC=C3~    6.854
25687 N#CC(C1=CC=CC=C1)=C(C2=CC=CC=C2)C3=CC=CC=N3~   10.790
25688 O1C(=NN=C1C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4~    8.886
25689 OC1=CC2=NC(=C(N=C2C=C1)C3=CC=CC=C3)C4=CC=CC=C4~   12.642
25690 OC1=C(N=NC2=CC=CC=C2)C3=C(C=CC=C3)C4=CC=CC=C14~   10.836
25693 OC1=C(N=NC2=C3C=CC=CC3=CC=C2)C4=C(C=CC=C4)C=C1~   10.836
25694 OC1=C(N=NC2=C3C=CC=CC3=C(C=C2)S(O)(=O)=O)C4=C(C=C(C=C4)S(O)(=O)=O)C=C1S(O)(=O)=O~   29.827
25695 OC1=CC=C2C=C(C=C(C2=C1N=NC3=C4C=CC=CC4=C(C=C3)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O~   29.827
25696 [O-][N+](=O)C1=CC=C(C=C1)C=NC2=CC3=C(C=C2)C4=CC=CC=C4C3~    7.917
25698 CC1=CC=C(C=C1)N=C2C3=CC=CC=C3C4=C2C=C(C=C4)[N+]([O-])=O~    7.917
25700 O[CH](C1=NC2=C(C=CC=C2)C=C1)C(=O)C3=NC4=C(C=CC=C4)C=C3~   14.695
25702 O=C1N(N(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C14~    9.917
25704 O[CH]1C2=CC=CC=C2C3=C1C=C(C=C3)N=CC4=CC=C(C=C4)[N+]([O-])=O~   12.356
25706 OC1=CC(=C(C=C1)C2=C(N=C3C=CC=CC3=N2)C4=C(O)C=C(O)C=C4)O~   24.592
25707 [O-][N+](=O)C1=CC=C(C=C1)C(=O)NC2C3=C(OC4=C2C=CC=C4)C=CC=C3~   13.907
25708 OC1=C2C=CC=CC2=C(C=C1)N=NC3=C4C=CC=CC4=C(C=C3)S(O)(=O)=O~   17.167
25709 OC1=CC=C2C=CC=CC2=C1N=NC3=CC=C4C=CC=CC4=C3S(O)(=O)=O~   17.167
25710 OC1=C(C=CC2=C(C=CC=C12)S(O)(=O)=O)N=NC3=C4C=CC=CC4=CC=C3~   17.167
25711 OC1=C(N=NC2=C3C=CC=C(C3=CC=C2)S(O)(=O)=O)C4=C(C=CC=C4)C=C1~   17.167
25712 OC1=CC=C2C=C(C=CC2=C1N=NC3=C4C=CC=CC4=CC=C3)S(O)(=O)=O~   17.167
25713 OC1=C(N=NC2=C3C=CC(=CC3=CC=C2)S(O)(=O)=O)C4=C(C=CC=C4)C=C1~   17.167
25714 OC1=C(N=NC2=C3C=C(C=CC3=CC=C2)S(O)(=O)=O)C4=C(C=CC=C4)C=C1~   17.167
25715 OC1=C(N=NC2=C3C(=CC=C2)C=CC=C3S(O)(=O)=O)C4=C(C=CC=C4)C=C1~   17.167
25718 OC1=CC=C2C=CC=CC2=C1N=NC3=C(O)C=C(C4=C3C=CC=C4)S(O)(=O)=O~   21.149
25719 OC1=C(N=NC2=C(O)C3=C(C=CC=C3)C=C2)C4=C(C=CC=C4)C(=C1)S(O)(=O)=O~   21.149
25721 OC1=C(C=C(C2=C1C=CC=C2)S(O)(=O)=O)N=NC3=C4C=CC=CC4=C(C=C3)S(O)(=O)=O~   23.498
25724 OS(=O)(=O)C1=CC(=CC2=C1C=CC=C2)N=[N+]([O-])C3=CC(=C4C=CC=CC4=C3)S(O)(=O)=O~   26.611
25725 OC1=C2C=CC(=CC2=CC(=C1N=NC3=C4C=CC=CC4=CC=C3)S(O)(=O)=O)S(O)(=O)=O~   23.498
25727 OC1=CC=C2C=CC=CC2=C1N=NC3=CC4=C(C=CC=C4C(=C3)S(O)(=O)=O)S(O)(=O)=O~   23.498
25728 OC1=CC=C2C=C(C=C(C2=C1N=NC3=C4C=CC=CC4=CC=C3)S(O)(=O)=O)S(O)(=O)=O~   23.498
25729 OC1=C(N=NC2=C3C=CC=CC3=CC=C2)C4=C(C=C(C=C4)S(O)(=O)=O)C=C1S(O)(=O)=O~   23.498
25730 OC1=C(C=CC2=C1C=CC=C2S(O)(=O)=O)N=NC3=C4C=CC=CC4=C(C=C3)S(O)(=O)=O~   23.498
25731 OC1=CC(=CC2=CC(=C(N=NC3=C4C=CC=CC4=CC=C3)C(=C12)O)S(O)(=O)=O)S(O)(=O)=O~   27.480
25732 CC1=C2C(=O)C3=C(C=CC=C3)C(=NNC4=C(C=C(C=C4)[N+]([O-])=O)[N+]([O-])=O)C2=C(C)O1~   13.648
25733 [O-][N+](=O)C1=CC=C(NN=C2C=CC3=C(C=CC=C3)C2=NNC4=CC=C(C=N4)[N+]([O-])=O)N=C1~   21.570
25734 [O-][N+](=O)C1=CC=C(NN=C2C=CC(=NNC3=CC=C(C=N3)[N+]([O-])=O)C4=C2C=CC=C4)N=C1~   21.243
25735 OS(=O)(=O)C1=CC(=NNC2=CC=C(C=N2)[N+]([O-])=O)C(=NNC3=CC=C(C=N3)[N+]([O-])=O)C4=C1C=CC=C4~   27.812
25736 O1C(=C2C=CC=CC2=C1C3=CC=CC=C3)C4=CC=CC=C4~    5.510
25737 O=C1CCCC2=C1C=C3C=CC4=CC=CC5=C4C3=C2C=C5~    8.011
25738 O(C1=C2C=CC=CC2=CC=C1)C3=C4C=CC=CC4=CC=C3~    5.951
25739 O=C(SC1=CC2=C(C=C1)C3=CC=CC=C3C2)C4=CC=CC=C4~    7.115
25741 CCC1=C(C(C)=O)C(=C2C(=O)C3=C(C=C(O)C(=C3C(O)=O)C(O)=O)C(=O)C2=C1O)O~   23.112
25742 OC(=O)C1=C(C=CC=C1)C(C2=CC=C(O)C(=C2)S(O)(=O)=O)=C3C=CC(=O)C(=C3)S(O)(=O)=O~   29.010
25743 O=C(C1=CC=CC=C1)C2=C(C=CC=C2)C(=O)C3=CC=CC=C3~    9.155
25744 CC(=O)CC1=C2C=CC=C3C4=C(C=CC=C4)C(=O)C(=C23)C=C1~    9.151
25745 O=C1CC[CH](O1)C2=C3C=CC4=CC=CC5=CC=C(C=C2)C3=C45~    7.893
25748 O=C1OC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=C1C=CC=C4~    7.081
25749 O=C(C1=CC=CC=C1)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3~    9.155
25751 OC1=C(SC2=C3C=CC=CC3=CC=C2O)C4=C(C=CC=C4)C=C1~   14.489
25753 OC1=CC=C2OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C2=C1~   10.793
25754 OC1=CC=C(C=C1)[C]2(OC(=O)C3=C2C=CC=C3)C4=CC=CC=C4~   11.064
25755 OC(=O)CCC(=O)C1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34~   12.827
25756 OC(=O)C1=C(C=CC=C1)C2C3=C(OC4=C2C=CC=C4)C=CC=C3~   10.111
25757 O=C1O[C](OC2=CC=CC=C2)(C3=CC=CC=C3)C4=C1C=CC=C4~    8.353
25758 O[CH](C1=CC=CC=C1)C2=CC3=C(C=C2)C(=O)C4=C(O3)C=CC=C4~   12.202
25760 O=C(OC1=CC=CC=C1)C2=C(C=CC=C2)C(=O)OC3=CC=CC=C3~    7.514
25763 O=C(OC1=CC=CC=C1)C2=CC(=CC=C2)C(=O)OC3=CC=CC=C3~    7.514
25764 OC1=CC=C(C=C1)[C]2(OC(=O)C3=C2C=CC=C3)C4=C(O)C=CC=C4~   15.047
25766 O=C(OC1=CC(=CC=C1)OC(=O)C2=CC=CC=C2)C3=CC=CC=C3~    7.514
25767 OC1=C(C=CC=C1)C(=O)OC2=CC=CC(=C2)OC(=O)C3=C(O)C=CC=C3~    9.281
25768 O=C(OCC1=CC(=O)C(=CO1)OC(=O)C2=CC=CC=C2)C3=CC=CC=C3~   10.180
25769 OC1=CC(=C(C(=C1)O)C2(OC(=O)C3=C2C=CC=C3)C4=C(O)C=C(O)C=C4O)O~   30.979
25770 C1C2=CC=CC=C2C3=C1C=C(C=C3)N=CC4=CC=CC=C4~    5.514
25771 N(C1=C2C=CC=CC2=CC=C1)C3=C4C=CC=CC4=CC=C3~    8.000
25773 N1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C4=CC=CC=C4~    8.282
25774 N(C1=CC2=CC=CC=C2C=C1)C3=CC4=C(C=CC=C4)C=C3~    8.000
25775 OC1=CC=C(C=C1)C=NC2=CC3=C(C=C2)C4=CC=CC=C4C3~    9.498
25776 OC1=C(C=CC=C1)C=NC2=CC3=C(C=C2)C4=CC=CC=C4C3~    9.498
25777 O=C1C2=CC=CC=C2C3=C1C=C(NCC4=CC=CC=C4)C=C3~   10.373
25778 N=C(C1=CC=CC=C1)C2=C(C=CC=C2)C(=O)C3=CC=CC=C3~    8.285
25779 COC1=CC=C(C=C1)N=C2C3=C(C=CC=C3)C4=CC=CC=C24~    6.785
25782 O=C(NC1=C(OC(=O)C2=CC=CC=C2)C=CC=C1)C3=CC=CC=C3~   11.536
25783 OC(=O)C1=C(C=CC=C1)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3~   12.896
25790 O=C(NN1C2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=CC=C4~   13.611
25791 [O-][N+](=O)C1=CC(=C(NC(=O)C2=CC=CC=C2)C=C1)NC(=O)C3=CC=CC=C3~   14.762
25793 C1=CC=C(C=C1)C=C(C2=CC=CC=C2)C3=CC=CC=C3~    5.256
25794 CCC1=C2C=C3C=CC4=C(C=CC=C4)C3=CC2=CC=C1~    5.134
25795 CC1=NC(=CC=C1)C=NC2=CC3=C(C=C2)C4=CC=CC=C4C3~    8.355
25796 NN(C1=CC2=C(C=CC=C2)C=C1)C3=CC4=C(C=CC=C4)C=C3~    9.409
25797 O=C1C2=CC=CC=C2C3=C1C=C(NCCC4=CC=CC=N4)C=C3~   13.133
25799 O=C(NC(=S)NC1=CC=C(C=C1)C2=CC=CC=C2)C3=CC=CC=C3~   11.368
25802 OC1=C(C=CC=C1)C=NC2=C(C=CC=C2)N=CC3=C(O)C=CC=C3~   13.710
25803 O=C(NN(C(=O)C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~   10.315
25804 O=C(NC1=C(NC(=O)C2=CC=CC=C2)C=CC=C1)C3=CC=CC=C3~   12.358
25805 O=C(NC1=CC=C(NC(=O)C2=CC=CC=C2)C=C1)C3=CC=CC=C3~   12.358
25806 O=C(NC1C2=C(OC3=C1C=CC=C3)C=CC=C2)NC4=CC=CC=C4~   12.544
25807 COC1=C(NC(=O)N2C3=C(C=CC=C3)C4=CC=CC=C24)C=CC=C1~   10.928
25809 [O-][N+](=O)C1=CC=C(COC2=CC=C(C=C2)C=CC3=CC=CC=N3)C=C1~   11.516
25810 O=C1C[CH](C(=O)N2N1C(=O)[CH](CC2=O)C3=CC=CC=C3)C4=CC=CC=C4~   17.496
25811 NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N=CC3=CC4=C(OCO4)C=C3~   14.728
25812 CN(C1C2=C(OC3=C1C=CC=C3)C=CC=C2)S(=O)(=O)C4=CC=C(C=C4)[N+]([O-])=O~   11.284
25813 OC(=O)C=CC(=O)N(N(C(=O)C=CC(O)=O)C1=CC=CC=C1)C2=CC=CC=C2~   19.411
25814 OC(=O)C=CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NC(=O)C=CC(O)=O)C=C2~   26.500
25815 C(SC1=NC2=C(S1)C=CC=C2)N(C3=CC=CC=C3)C4=CC=CC=C4~    8.827
25816 C1=CC=C(C=C1)N2N=C3N(C2N3C4=CC=CC=C4)C5=CC=CC=C5~    8.308
25817 CC1=NN(C2=CC=CC=C2)C(=O)C1=C3C(=NN(C4=CC=CC=C4)C3=O)C~   10.092
25818 O=CNC1=CC2=[N+](C3=CC=CC=C3)C4=C(C=CC(=C4)NC=O)N=C2C=C1~   24.405
25819 CC1=NN(C2=CC=CC=C2)C(=O)[CH]1N=NC3=C(O)C=C(C4=C3C=CC=C4)S(O)(=O)=O~   20.169
25820 OC(=O)C1=C(C=CC=C1)N=NC(=NNC2=C(O)C=CC(=C2)S(O)(=O)=O)C3=CC=CC=C3~   24.495
25821 NC1=C2C=CC=CC2=C(C=C1N=NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)S(O)(=O)=O~   19.706
25822 NC1=C2C=CC=CC2=C(C=C1N=NC3=CC=C(C=C3)S(=O)(=O)NC4=CN=CC=N4)S(O)(=O)=O~   23.256
25823 NC1=CC(=CC2=CC(=C(N=NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)C(=C12)O)S(O)(=O)=O)S(O)(=O)=O~   30.019
25824 CC(=O)C1=CC=C(C=C1)C2=C(C=CC=C2)C3=CC=CC=C3~    7.123
25825 O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~    7.194
25826 O[CH]1CCCC2=C1C=C3C=CC4=CC=CC5=C4C3=C2C=C5~    9.542
25827 O=C(CC1=CC=CC=C1)C2=C3C=CC=C4CCC(=C34)C=C2~    5.839
25828 OC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3~    9.541
25829 OC(C(=O)C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3~    8.001
25830 OC(=O)[CH](C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=CC=C3~    9.562
25831 COC1=CC=C2C=CC=CC2=C1C=CC(=O)C3=CC=CC=C3~    8.873
25832 CC1=C(C=CC=C1)C2(O)C3=C(OC4=C2C=CC=C4)C=CC=C3~    9.810
25834 OC(=O)CCCC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34~    9.921
25835 C[CH](CC(O)=O)C1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34~    9.921
25836 C[CH]1CC(=CO)C(=O)C2=CC3=CC=C4C=CC=CC4=C3C=C12~   10.839
25837 O=C1[CH]2CC=C(C[CH]2C(=O)C3=C1C=CC=C3)C4=CC=CC=C4~    9.372
25838 OC(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3~    9.108
25840 C1OC2=CC=C(C=C2O1)C(SC3=CC=CC=C3)SC4=CC=CC=C4~   10.503
25842 OC(=O)C1=C(C=CC=C1)[CH](C2=CC=CC=C2)C3=C(O)C=CC=C3~   13.091
25844 COC1=CC=C(C=C1)C2=CC(=O)C(=CC2=O)C3=CC=C(OC)C=C3~   14.068
25846 CCOC1=CC=C2C(=O)C(SC2=C1)=C3SC4=C(C=CC(=C4)OCC)C3=O~   14.551
25847 C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C3)C4=CC=CC=C14~   12.959
25849 C[N+]1=C(C2=CC=CC=C2)C3=CC=CC=C3C4=CC=CC=C14~   12.959
25850 O=C(NC(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~   10.499
25852 O=C([CH](NC1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~    9.047
25853 COC1=CC=C(C=C1)C=C(C2=CC=CC=C2)C3=CC=CC=N3~    9.368
25854 COC1=CC=C(C=C1)C=C(C2=CC=CC=C2)C3=CC=NC=C3~    9.368
25857 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4C3~    8.097
25858 CC1=C(C=CC=C1)S(=O)(=O)NC2C3=C(OC4=C2C=CC=C4)C=CC=C3~    9.179
25859 O=S(=O)(CC1=CC=CC=C1)NC2C3=C(OC4=C2C=CC=C4)C=CC=C3~    9.616
25861 CN(C1C2=C(OC3=C1C=CC=C3)C=CC=C2)S(=O)(=O)C4=CC=CC=C4~    8.879
25862 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC=C2)C(=O)C3=CC=CC=C3~   10.033
25864 CN1CCC2=C(C=C3OCOC3=C2)[CH]1[CH]4OC(=O)C5=C4C=CC6=C5OCO6~   15.353
25865 COC(=O)C1=C2NC3=C(C=CC=C3)C2=C(C(=O)OC)C(=C1C(=O)OC)C(=O)OC~   15.200
25866 [O-][N+](=O)C1=CC(=C(C=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+]([O-])=O~    9.721
25868 O=C(NC1=CC=CC=C1)C(=NNC2=CC=CC=C2)N=NC3=CC=CC=C3~   14.170
25869 COC1=CC=C(C=C1)C2=NC3=NC(=NC(=C3N=C2C4=CC=C(OC)C=C4)O)N~   18.267
25871 C(C=CC=CC1=CC=CC=C1)=CC=CC2=CC=CC=C2~    3.604
25873 CC1=CC2=C(C=CC=C2)C=[N+]1CC3=NC4=C(C=CC=C4)C=C3~   15.777
25874 CC1=CC2=C(C=C1)N=C(C[N+]3=C4C=CC=CC4=CC=C3)C=C2~   15.777
25875 CC1=CC2=C(C=C1)N=C(C[N+]3=CC4=CC=CC=C4C=C3)C=C2~   15.777
25876 CC1=CC2=CC=C(N=C2C=C1)[N+]3=CC4=CC=CC=C4C=C3C~   18.410
25877 C(CC1=CC=CC=N1)NC2=CC3=C(C=C2)C4=CC=CC=C4C3~   10.740
25878 C[N+]1=C(C2=CC=CC=C2)C3=CC(=CC=C3C4=CC=CC=C14)N~   16.410
25879 C[CH]1CNC(=N1)C2=CC(=CC=C2)C3=CC=C(O3)C4=CC=CC=C4~    9.516
25880 CCN1C2=CC=CC=C2C3=C1C=CC(=C3)NC4=CC=C(O)C=C4~   12.695
25881 CC1=C(NC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C=CC=C1~    9.200
25883 [O-][N+](=O)C1=CC=C(C=C1)C(=O)O[CH](C[N+]2=CC=CC=C2)C3=CC=CC=C3~   16.523
25884 COC1=CC(=C(C=C1)C2=NC3=C(S2)N=C(S3)C4=C(OC)C=C(OC)C=C4)OC~   16.717
25885 COC1=CC=C(C=C1OC)C2=NC3=C(S2)N=C(S3)C4=CC=C(OC)C(=C4)OC~   16.717
25886 OC(=O)C(CC1=CNC2=C1C=CC=C2)(NC(=O)OCC3=CC=CC=C3)C(O)=O~   21.866
25889 OC(=O)[CH](CSSC[CH](NC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(O)=O)NC(=O)C2=CC=C(C=C2)[N+]([O-])=O~   26.296
25890 CN1C(=O)N(C)C2=C(N=C(N2)C(C3=CC=CC=C3)C4=CC=CC=C4)C1=O~   13.917
25891 CC1=NN(C2=CC=CC=C2)C(=O)[CH]1[CH]3C(=NN(C4=CC=CC=C4)C3=O)C~    9.635
25893 CN1C(=O)N(C)C2=C(N=C(N2)C(O)(C3=CC=CC=C3)C4=CC=CC=C4)C1=O~   18.356
25894 CCCC1=CC(=C2C=CC=CC2=N1)C(=O)NN=CC3=CC=C(C=C3)[N+]([O-])=O~   15.329
25895 O=C(OCCCCOC(=O)N1C=NC2=C1C=CC=C2)N3C=NC4=C3C=CC=C4~   10.967
25896 CC1=NC2=C(C=CC=C2)N1C(=O)OCCOC(=O)N3C(=NC4=C3C=CC=C4)C~   11.126
25897 CC1=CC(=C(C=C1)N=NC2=CC=C(O)C(=C2O)N=NC3=CC=C(C=C3)S(O)(=O)=O)C~   21.607
25898 CC(=O)NC1=CC=C(C=C1)N=NC2=C(O)C3=C(NC(C)=O)C=C(C=C3C=C2S(O)(=O)=O)S(O)(=O)=O~   31.169
25899 CN1C(=CC=C1C2=CC=CN=C2)SC3=CC=C(N3C)C4=CC=CN=C4~   15.388
25900 CN1C=CC(=C1)C2=C(SC3=C(N=CC=C3)C4=CN(C)C=C4)C=CC=N2~   15.388
25903 CN1C(=CC=C1C2=CC=CN=C2)SSC3=CC=C(N3C)C4=CC=CN=C4~   15.199
25904 S=C1N[CH](C=CC2=CC=CC=C2)N3N1[CH](NC3=S)C=CC4=CC=CC=C4~    7.573
25905 CC1=CC=C(NC2=NC(=NC(=N2)N)NC3=CC4=C(C=CC=C4)C=C3)C=C1~   14.208
25906 CN(C)C1=NC(=C2N=C(C3=CC=CC=C3)C(=NC2=N1)C4=CC=CC=C4)N~   13.627
25907 CC1=CC(=C(N)C=C1N)N=NC2=CC=C(C=C2)N=NC3=CC(=C(O)C=C3)C(O)=O~   19.836
25911 CC1=C(C=CC=C1)C(O)(C2=CC=CC=C2)C3=CC=CC=C3~    8.807
25912 CC1=CC=C(C=C1)C(O)(C2=CC=CC=C2)C3=CC=CC=C3~    8.807
25913 O[CH](CC1=CC=CC=C1)C2=C3CCC4=C3C(=CC=C4)C=C2~    8.914
25914 O=C1C(CCCC1=CC2=CC=CC=C2)=CC3=CC=CC=C3~    7.401
25915 C(OC1=CC=C(OCC2=CC=CC=C2)C=C1)C3=CC=CC=C3~    6.910
25917 COC1=CC=C(C=C1)C(=O)C2=C3C=CC=C(C)C3=C(C)C=C2~    7.863
25919 O[CH](C1=CC=CC=C1)C(O)(C2=CC=CC=C2)C3=CC=CC=C3~   10.162
25920 O=C([CH]1CC=CC[CH]1C(=O)C2=CC=CC=C2)C3=CC=CC=C3~    8.680
25923 C[C]1(O)C2=C(C=CC=C2)[C](C)(O)C3=C1C=CC4=C3C=CC=C4~   10.350
25925 CC1=C(C=CC=C1)S(=O)(=O)C(C2=CC=CC=C2)C3=CC=CC=C3~    8.047
25926 CC1=CC=CC(=C1)S(=O)(=O)C(C2=CC=CC=C2)C3=CC=CC=C3~    8.047
25927 CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2)C3=CC=CC=C3~    8.047
25929 CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3~    8.237
25930 COC1=C(OC)C=C(CC(=O)OC2=CC3=C(C=CC=C3)C=C2)C=C1~    8.747
25932 COC(=O)C1([CH]([CH]1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(=O)OC~   11.457
25933 O=C(O[CH]([CH]1CO1)[CH](OC(=O)C2=CC=CC=C2)[CH]3CO3)C4=CC=CC=C4~   12.492
25935 O=C(CCCCC(=O)C1=CC2=C(OCO2)C=C1)C3=CC4=C(OCO4)C=C3~   14.384
25936 C1OC2=CC=C(C=C2O1)[CH]3OC[CH]4[CH]3CO[CH]4C5=CC6=C(OCO6)C=C5~   14.293
25937 COC1=C(OCC2=CC=CC=C2)C=CC(=C1)C=CC=C(C(O)=O)C(O)=O~   16.666
25940 CC1=CC(=CC=C1)SC(C2=CC=CC=C2)C3=CC=CC=C3~    5.947
25941 C(SC(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~    6.384
25942 C(N(CC1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~    6.253
25943 C(C(CC1=CC=CC=C1)C2=CC=CC=N2)C3=CC=CC=C3~    7.049
25944 C(C(CC1=CC=CC=C1)C2=CC=CN=C2)C3=CC=CC=C3~    7.049
25945 CC1=C(NC(C2=CC=CC=C2)C3=CC=CC=C3)C=CC=C1~    7.521
25946 O=C(CCNCC1=CC=CC=C1)C2=C3C=CC=CC3=CC=C2~   10.635
25950 CC1=CC=C[N+](=C1)CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3~   14.770
25951 CC1=CC=[N+](CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C=C1~   14.770
25952 C[C](O)([CH](C1=CC=CC=C1)C2=CC=CC=N2)C3=CC=CC=C3~   11.485
25953 CCOC(=O)C1=CC(=NC2=C1C=CC=C2)C3=C(C)C=CC(=C3)C~    9.259
25954 O=C(O[CH](C[N+]1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~   14.119
25955 CN1C(=C([CH](CC(=O)C2=CC=CC=C2)C(O)=O)C3=C1C=CC=C3)C~   13.519
25956 CC(C)C1=CC(=C(C)C=C1O)NC2=CC(=O)C3=C(C=CC=C3)C2=O~   14.983
25957 CCOC(=O)[C]1(C)[CH](N(C(=O)C1=O)C2=CC=CC=C2)C3=CC=CC=C3~   13.124
25958 CCOC(=O)C1=C(OC)C(=O)N([CH]1C2=CC=CC=C2)C3=CC=CC=C3~   11.437
25959 COC1=C(N[CH](C2=CC=CC=C2)C3=C(O)C(=O)C=C(CO)O3)C=CC=C1~   12.991
25960 CN1CCC2=C(C=C3OCOC3=C2)C(=O)CC4=CC=C5OCOC5=C4C1~   15.545
25961 CCOC(=O)C(NC(=O)CC1=CC=CC=C1)=COC(=O)C2=CC=CC=C2~   12.288
25962 CC1=CC(=C(OS(=O)(=O)C2=CC=CC=C2)C=C1C)NS(=O)(=O)C3=CC=CC=C3~   10.804
25964 O=C1CC[C](CCC2=NC3=CC=CC=C3N2)(C(=O)N1)C4=CC=CC=C4~   13.580
25965 COC(=O)C(CCC1=CC=C(C=C1)[N+]([O-])=O)(CCC2=CC=C(C=C2)[N+]([O-])=O)C#N~   13.640
25966 CC1=CC(=CC(=C1N)S(O)(=O)=O)C(C2=CC(=C(N)C=C2)S(O)(=O)=O)=C3C=CC(=N)C(=C3)S(O)(=O)=O~   31.080
25967 CCC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)NC4=CC=C(C)C=C4~   15.650
25968 CCC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)NC4=CC(=CC=C4)C~   15.650
25969 CCC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)NCC4=CC=CC=C4~   16.186
25971 C(C[N+]1=C2C=CC=CC2=CC=C1)[N+]3=CC=CC4=C3C=CC=C4~   14.410
25972 C(C[N+]1=CC2=CC=CC=C2C=C1)[N+]3=CC4=C(C=CC=C4)C=C3~   14.410
25973 OC(=O)[CH](CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NC(=O)C[CH](C(O)=O)S(O)(=O)=O)C=C2)S(O)(=O)=O~   38.830
25974 COC1=CC=C(NC2=CC=C(NC3=CC=C(OC)C=C3)C=C2)C=C1~   12.144
25975 CC1CN1C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N4CC4C~   12.055
25978 O=C1NC(=O)C(CCOC2=CC=CC=C2)(CCC3=CC=CC=C3)C(=O)N1~   15.900
25979 COC1=C2C=CC=CC2=C(C=C1)N=NC3=CC(=C(OC)C(=C3)OC)OC~   10.754
25980 CCOC(=O)N1C2C3=C(C=CC=C3)C(N1C(=O)OCC)C4=C2C=CC=C4~   10.650
25981 COC(=O)[CH](CC(=O)CNC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2~   15.366
25982 CCOC(=O)[CH]([CH](C(=O)OCC)C(=O)C1=CC=CN=C1)C(=O)C2=CC=CN=C2~   19.527
25983 [O-][N+](=O)C1=CC=CC(=C1)C(=O)CCCCCCC(=O)C2=CC(=CC=C2)[N+]([O-])=O~   13.076
25984 CCOC(=O)[CH]([CH](C(=O)OCC)C1=CC=C(C=C1)[N+]([O-])=O)C2=CC=C(C=C2)[N+]([O-])=O~   13.004
25985 OC(=O)C1=CC=C(NC(=O)OCCCCOC(=O)NC2=CC=C(C=C2)C(O)=O)C=C1~   20.012
25986 OC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NC(=O)CCC(O)=O)C=C2~   25.297
25987 CN(C)CCN1C2=C(SC3=CC=C4C=CC=CC4=C13)C=CC=C2~   10.437
25988 CN(C)CCN1C2=C(SC3=C1C=CC4=C3C=CC=C4)C=CC=C2~   10.437
25990 CN(C)C1=CC2=[N+](C3=CC=CC=C3)C4=CC(=CC=C4N=C2C=C1)N~   21.246
25991 CC1=C(N)C=C2C(=C1)N=C3C=C(C)C(=CC3=[N+]2C4=CC=CC=C4)N~   22.812
25993 OC(=O)C1=C(O)C=C(NC(=O)N2CCN(CC2)C(=O)NC3=CC(=C(C=C3)C(O)=O)O)C=C1~   31.484
25994 N=C(NNC(NC1=CC=CC=C1)=NC2=CC=CC=C2)NC3=CC=CC=C3~   18.955
25995 N=C(NN=CC=CC1=CC=CC=C1)C(=N)NN=CC=CC2=CC=CC=C2~   13.638
25996 O=S(=O)(C1=CC=C(NCN2C=CN=C2)C=C1)C3=CC=C(NCN4C=CN=C4)C=C3~   18.750
25997 O=C(OC1=CC=CC=C1)C2CCC(CC2)OC(=O)C3=CC=CC=C3~    7.256
25998 C[CH]1[CH](C)[CH](O[CH]1C2=CC3=C(OCO3)C=C2)C4=CC5=C(OCO5)C=C4~   11.883
26002 CCOC(=O)C(OC(=O)C1=CC=CC=C1)(C(=O)OCC)C2=CC=CC=C2~    9.703
26003 COC1=C(OC)C(=C(C(=O)C=CC2=CC3=C(OCO3)C=C2)C(=C1)OC)OC~   14.481
26004 O=C(N1[CH]2CCCC[CH]2CC3=C1C=CC=C3)C4=CC=CC=C4~    7.656
26005 O[CH]([CH]1CCCCN1)C2=C3C=CC=CC3=C4C=CC=CC4=C2~   12.193
26006 COC1=C(CC2=CC=C(C=C2)N(C)C)C3=C(C=CC=C3)C=C1~    7.356
26007 O[CH](CCNCC1=CC=CC=C1)C2=CC3=C(C=CC=C3)C=C2~   12.166
26008 CC(C)C1=CC(=C(C)C=C1O)N=C2C=CCC3=C2C=CC=C3~    7.780
26009 OCCN[CH](CC1=CC=CC=C1)C2=C3C=CC=CC3=CC=C2~   12.166
26010 CN[CH](CC1=CC=CC=C1)C2=C3C=CC=CC3=CC=C2OC~    9.080
26011 CC1=CC(=C(C(=C1)C)C(=O)C[N+]2=CC3=CC=CC=C3C=C2)C~   14.580
26012 CC(C)C1=CC2=CC=C3C(=CC=CC3=C2C=C1NC(C)=O)C~    9.900
26013 COC1=CC=C(CN(C)C2=C3C=CC=CC3=CC=C2C)C=C1~    7.356
26014 O=C(OCC#CCN1CCCCC1)C2=CC3=C(C=CC=C3)C=C2~    9.597
26016 CCN(CC)C(=CC(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2~   10.801
26017 O=C(C[CH](N1CCOCC1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3~   12.928
26019 CCN(CC)CCOC1=C2C(=O)C3=CC=CC=C3C(=O)C2=CC=C1~   12.662
26021 COC1=CC=C(CC2=C3C=C(OC)C(=CC3=CC=N2)OC)C=C1OC~   12.124
26022 COC1=CC=C2C[CH]3N(CCC4=C3C=C5OCOC5=C4)CC2=C1OC~   12.640
26024 CCN(CC)CCOC1=C2C(=O)C3=C(O)C=CC=C3C(=O)C2=CC=C1~   13.544
26025 CCCCN[CH](C(=O)C1=CC2=C(OCO2)C=C1)C3=CC4=C(OCO4)C=C3~   13.947
26026 COC1=CC2=CC=C(CC(=N)C3=CC=C(C=C3)N(C)C)N=C2C=C1~   11.638
26028 CC1(C)O[CH]2[CH](CO)O[CH]([CH]2O1)N3C=NC4=C(SCC5=CC=C(C=C5)[N+]([O-])=O)N=CN=C34~   22.466
26032 CC1=CC(=C(C)N1C2=CC=CC=C2)C=CC3=[N+](C)C=CC=C3~   16.588
26033 CN(C)CCOC1=C2N=CC=CC2=CC=C1CC3=CC=CC=C3~   11.622
26037 O=C(CN1CCN(CC1)CC(=O)C2=CC=CC=C2)C3=CC=CC=C3~   13.126
26038 COC1=CC2=C(C=CN=C2C=C1)C(=O)[CH]3C[CH]4CCN3C[CH]4C=C~   12.235
26039 CN1CC2(C=C)C3CC4OCC3C1C2C45C(=O)NC6=CC=CC=C56~   15.225
26040 CC1=C2SC3=CC=CC=C3C(=O)C2=C(NCCN4CCOCC4)C=C1~   15.703
26043 CCOC(=O)NC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)N(C)C~   13.703
26044 CC(=O)N(CC1=CC=CC=C1)[CH](CC(=O)NCC2=CC=CC=C2)C(O)=O~   16.437
26045 OC(=O)[CH](CCCCNC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2~   15.631
26046 C1CN(C[CH]1CNC2=C3C=CC=CC3=NC=N2)CC4=CC=CC=C4~   14.040
26047 CC(=NNC(=O)CCC(=O)NN=C(C)C1=CC=CC=C1)C2=CC=CC=C2~   12.532
26049 CC1=CC(=CC=C1NC(=O)N2CC2)C3=CC=C(NC(=O)N4CC4)C(=C3)C~   20.697
26051 C[CH](S[CH](C)C(=O)NN=CC1=CC=CC=C1)C(=O)NN=CC2=CC=CC=C2~   14.627
26053 COC1=CC(=CC=C1NC(=O)N2CC2)C3=CC=C(NC(=O)N4CC4)C(=C3)OC~   23.240
26054 N=C(NC(=O)OCCCCOC(=O)NC(=N)C1=CC=CC=C1)C2=CC=CC=C2~   14.652
26055 OC1=C(C=CC=C1)C=NNC(=O)CCCCC(=O)NN=CC2=C(O)C=CC=C2~   20.498
26056 C[CH](S[CH](C)C(=O)NN=CC1=C(O)C=CC=C1)C(=O)NN=CC2=C(O)C=CC=C2~   22.592
26057 CC1(C)O[CH]2[CH](CO)O[CH]([CH]2O1)N3C=NC4=C(SCC5=CC=CC=C5)N=CN=C34~   20.062
26058 OC1=C(C=CC=C1)C=NNC(=O)CCSCCC(=O)NN=CC2=C(O)C=CC=C2~   22.592
26059 COC1=CC(=CC=C1NC(=O)CSC(N)=O)C2=CC=C(NC(=O)CSC(N)=O)C(=C2)OC~   26.218
26060 COC1=CC=C(C=C1)C=NNC(=O)CN(CC(=O)NN=CC2=CC=C(OC)C=C2)N=O~   17.311
26062 CN(CC1=NC2=C(N)N=C(N)N=C2N=C1)C3=CC=C(C=C3)C(=O)N[CH](CCC(O)=O)C(O)=O~   30.812
26063 CC1=CC=C(C=C1)C(=O)CCCCC(=O)C2=CC=C(C)C=C2~    8.429
26064 OC(=O)[CH](C1CCCCC1)C2=CC=C(C=C2)C3=CC=CC=C3~    8.087
26065 CC(C)=C[CH]1[CH](C(=O)OC2=CC3=C(C=CC=C3)C=C2)C1(C)C~    4.554
26066 OC1=CC=C(C=C1)[CH](C2CC2)[CH](C3CC3)C4=CC=C(O)C=C4~   11.134
26068 C[S+](C)CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[S+](C)C~   12.236
26069 COC1=C(C=C(C)C=C1)[CH]2[CH](CCC3=C2C=CC=C3)CC(O)=O~    9.577
26070 CCOC(=O)[CH](C(=O)CC1=CC=C(C)C=C1)C2=CC=C(C)C=C2~    8.907
26072 CCOC(=O)[CH](CC[CH](C(O)=O)C1=CC=CC=C1)C2=CC=CC=C2~   10.578
26073 COC1=CC(=CC=C1O)[CH]2OC3=C(OC)C=C(C=CC)C=C3[CH]2C~   11.313
26074 CC1=CC(=C(OC(=O)CCC(=O)OC2=C(C)C=C(C)C=C2)C=C1)C~    6.951
26075 COC1=CC=C(C=C1)C(=O)CCCCC(=O)C2=CC=C(OC)C=C2~   10.971
26077 C1O[CH]2[CH](CO[CH]2[CH]1OCC3=CC=CC=C3)OCC4=CC=CC=C4~   12.287
26078 COC1=CC=C(CCC(=O)C2=C(OC)C=CC(=C2)CCC(O)=O)C=C1~   13.397
26079 O[CH]1CO[CH](O[CH]1[CH]2O[CH](OC[CH]2O)C3=CC=CC=C3)C4=CC=CC=C4~   16.561
26080 COC1=CC2=C(C=C1OC)[CH]3C4=CC=C(OC)C(=C4OC[C]3(O)C2)OC~   14.441
26081 CCO[CH](OC(=O)C1=CC=CC=C1)[CH](OCC)OC(=O)C2=CC=CC=C2~   11.281
26082 C[C]12C[CH](OC(=O)[CH]1CC[C]3(C)[CH]2[CH]4OC(=O)[C]3(O)C=C4)C5=COC=C5~    8.405
26083 COC1=CC(=CC=C1O)[CH]2OC[CH]3[CH]2CO[CH]3C4=CC=C(O)C(=C4)OC~   18.845
26084 COC1=CC(=CC(=C1OC)C2=C(OC)C(=CC(=C2)C(C)=O)OC)C(C)=O~   13.775
26085 COC1=C(C)C(=C(C(=C1)C)C(=O)OC2=C(C)C(=C(C(O)=O)C(=C2)C)O)OC~   12.754
26086 COC1=CC2=C(C=C1O)[CH]([CH](CO)[CH](C2)C(O)=O)C3=CC=C(O)C(=C3)OC~   23.249
26090 CN1C2=C(C=C(C)C(=C2)C)C(C)(C)C=C1C3=CC=CC=C3~    5.082
26094 CCN(CC)C[CH](O)C1=CC2=C3C=CC=CC3=CC=C2C=C1~   11.620
26096 O=C(CCN1CCCCC1)C2=CC=C(C=C2)C3=CC=CC=C3~    9.291
26097 C[CH]1CC(C(=O)[CH](C)N1C)(C2=CC=CC=C2)C3=CC=CC=C3~    8.481
26098 O=C([CH](CN1CCCCC1)C2=CC=CC=C2)C3=CC=CC=C3~    9.269
26099 C[CH]1CCN(CC1)[CH](C2=CC=CC=C2)C(=O)C3=CC=CC=C3~    7.971
26100 O=C([CH](CC1=CC=CC=C1)N2CCCCC2)C3=CC=CC=C3~    7.971
26102 O[CH](CN1CCCCC1)C2=CC3=C(C=C2)C4=CC=CC=C4C3~   11.338
26103 CCN(CC)C[CH](O)C1=C2C=CC=CC2=CC3=C1C=CC=C3~   11.620
26104 CC(C)C1=CC=C(C)C(=C1O)N=CC(C)=CC2=CC=CC=C2~    7.600
26109 CCN(CC)[CH](CC(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2~   10.520
26112 CN1CCCC[CH](C1=O)C(O)(C2=CC=CC=C2)C3=CC=CC=C3~   13.754
26113 CN(C)C[CH](CCC(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2~   11.818
26114 CCCCNCC[C]1(C(=O)OC2=C1C=CC=C2)C3=CC=CC=C3~    8.747
26115 C[C](CN1CCCC1)(OC2=CC=CC=C2)C(=O)C3=CC=CC=C3~    9.690
26116 CN1CCC2(CC1)O[CH]([CH](O2)C3=CC=CC=C3)C4=CC=CC=C4~   10.129
26117 O=C(OCCN1CCCC1)C(C2=CC=CC=C2)C3=CC=CC=C3~    9.233
26119 O[C](CN1CCCCC1)(C(=O)C2=CC=CC=C2)C3=CC=CC=C3~   10.076
26120 O=C(CN1CCOCC1)C2=C3C=CC=CC3=C4CCCCC4=C2~   10.212
26121 OC(C(=O)OCCN1CCCC1)(C2=CC=CC=C2)C3=CC=CC=C3~   10.040
26123 C[CH](CCCC(=O)OCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2~   11.538
26125 CCN1CCO[C](O)([CH]1CC(=O)C2=CC=CC=C2)C3=CC=CC=C3~   15.762
26126 CCN(CC)CC1=CC(=CC(=C1)OC(=O)C2=CC=CC=C2)C(=O)OC~   10.099
26127 COC1=CC=C2C[CH]3N(C)CCC4=CC(=C(O)C(=C34)C2=C1OC)OC~   14.939
26128 COC1=CC=C2C[CH]3N(C)CCC4=C3C(=C(OC)C(=C4)OC)C2=C1O~   14.939
26130 COC1=C(OC)C(=CC(=C1)C(=O)CCC2=CC=CC(=C2)NC(C)=O)OC~   15.604
26131 CCOC(=O)C1=C(C2=CC=C(OC)C=C2)C(=C(C)N=C1C)C(=O)OCC~   11.545
26132 CCOC(=O)C(CC1=C2C=CC=CC2=CC=C1)(NC(C)=O)C(=O)OCC~   13.291
26133 CO[CH]1O[CH]2CO[CH](O[CH]2[CH](O)[CH]1NC3=CC=CC=C3)C4=CC=CC=C4~   19.177
26135 CCCCN[CH]([CH](O)C1=CC2=C(OCO2)C=C1)C3=CC4=C(OCO4)C=C3~   16.780
26138 CN[CH]1CCC2=CC(=C(OC)C(=C2C3=CC=C(O)C(=O)C=C13)OC)OC~   13.642
26139 COC1=CC2=C(C=C1O)[CH]([CH](CO)[CH](C2)C(N)=O)C3=CC=C(O)C(=C3)OC~   24.939
26141 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=C(C=CC=C2)C(O)=O~   12.519
26142 CCN(CC)C1=CC=C(CNC2=C3C=CC=CC3=NC=C2)C=C1~   11.917
26144 CN[CH](C)[CH](NC1=C2N=CC=CC2=CC(=C1)OC)C3=CC=CC=C3~   14.991
26146 CN1CCN(CCOC(=O)N2C3=C(SC4=C2C=CC=C4)C=CC=C3)CC1~   15.246
26147 CCN(CC)CCOC(=O)C1=CC=C(C=C1)N=NC2=C(O)C=CC(=C2)C(O)=O~   18.638
26148 OC1=C(CN(CC2=C(O)C(=CC=C2)[N+]([O-])=O)C3CCCCC3)C=CC=C1[N+]([O-])=O~   12.137
26149 NC1=NC2=C(N(C=O)[CH](CNC3=CC=C(C=C3)C(=O)N[CH](CCC(O)=O)C(O)=O)CN2)C(=N1)O~   33.057
26151 C1CCN(CC1)CCN2C3=C(CC4=C2C=CC=C4)C=CC=C3~    8.228
26153 O=C1CCCCC1(CCC2=CC=NC=C2)CCC3=CC=NC=C3~   11.752
26154 CCN(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1~   13.292
26155 O=C(NCCCCCCNC(=O)C1=CC=CC=C1)C2=CC=CC=C2~   11.678
26157 CN1CCN(CC1)CC(C(O)=O)(C2=CC=CC=C2)C3=CC=CC=C3~   15.166
26158 CCN(CC)CCNC(=O)C1=C(C=CC=C1)C(=O)C2=CC=CC=C2~   14.693
26159 CCN(CC)C(=O)CNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~   11.185
26162 CC1=CC(=C(C(=C1)C)C(=O)NNC(=O)C2=C(C)C=C(C)C=C2C)C~   10.770
26163 CN(C)C(=O)[CH]([CH](C1=CC=CC=C1)C(=O)N(C)C)C2=CC=CC=C2~   12.267
26165 CCN(CCO)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1~   17.728
26166 C[CH](O)CN(C)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1~   17.728
26167 CCN(CC)CCOC(=O)C1=CC=C(NC(=O)C2=CC=CC=C2)C=C1~   14.040
26168 CC(C)COC(=O)C1=CC=C(NC(=O)CNCC2=CC=CC=C2)C=C1~   13.471
26169 CC(C)COC(=O)C1=CC=C(NC(=O)CN(C)C2=CC=CC=C2)C=C1~   11.666
26170 COC1=C(OC)C(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCCC3)OC~   14.506
26173 CCN(CC)C[CH](CC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+]([O-])=O~   10.770
26174 CC1=CC=C(NC[C]2(O[CH](CO)[CH](O)[CH]2O)N=CC3=CC=CC=C3)C=C1~   16.316
26175 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)N3CCOCC3~   16.559
26176 OC[CH](O)[CH](O)[CH](O)[CH](CN=CC1=C(O)C=CC=C1)N=CC2=C(O)C=CC=C2~   21.780
26177 COC1=C(OC)C(=CC(=C1)C=NN=CC2=CC(=C(OC)C(=C2)OC)OC)OC~   11.783
26178 CC(C)(C)OC(=O)[CH]([CH]1N[CH](C(O)=O)C(C)(C)S1)N2C(=O)C3=CC=CC=C3C2=O~   15.367
26180 OC(=O)[CH](CSSC[CH](NS(=O)(=O)CC1=CC=CC=C1)C(O)=O)NS(=O)(=O)CC2=CC=CC=C2~   20.914
26181 O=C(C[N+]12CN3CN(CN(C3)C1)C2)C4=CC=C(C=C4)C5=CC=CC=C5~   12.620
26182 C[CH]1CN([CH](C)CN1C(=O)NC2=CC=CC=C2)C(=O)NC3=CC=CC=C3~   20.080
26184 COC1=CC=C(NC(=O)N2CCN(CC2)C(=O)NC3=CC=C(OC)C=C3)C=C1~   22.783
26185 COC1=CC2=NC3=C(C=CC(=C3)[N+]([O-])=O)C(=C2C=C1OC)NCCNC[CH](C)O~   22.857
26186 COC1=CC2=NC3=CC(=CC=C3C(=C2C=C1OC)NCCCNCCO)[N+]([O-])=O~   22.857
26191 CCOC1=C(O)C=CC(=C1)C=NNC(=N)C(=N)NN=CC2=CC(=C(O)C=C2)OCC~   23.538
26192 CCC(C1=CC=CC=C1)=C(CC)C2=CC(=C(O)C(=C2)C)C~    7.168
26193 CCC[S+](CCC)CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2~    7.317
26194 CCCC[S+](CC)CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2~    7.317
26196 C[C]12CC[CH]3[CH](CCC4=C3C=CC(=C4)O)[CH]1CC[C]2(O)C#C~   11.100
26197 CC[CH]1[CH](C)[CH](C2=CC=C(OC)C=C2)C3=CC(=CC=C13)OC~    5.595
26199 CC1=CC(=C(C=C1)[C]2(C)CC(C)(C)C3=C(O2)C=C(C)C=C3)O~    8.307
26200 CC[CH]([CH](C(C)=O)C1=CC=C(OC)C=C1)C2=CC=C(OC)C=C2~    8.578
26201 OC1=C(CCCCC2CCCCC2)C(=O)C3=C(C=CC=C3)C1=O~    7.666
26202 COC(=O)[C]1(C)CCC[C]2(C)[CH]1CC(=O)C3=C2C=CC(=C3)C(C)=O~   10.178
26203 COC1=CC(=C2CC3=C(OC)C(=CC(=C3CC2=C1OC)C)OC)C~    8.538
26205 CC(C)=C[CH]1[CH](C(=O)OCC=CC2=CC3=C(OCO3)C=C2)C1(C)C~    7.277
26206 CC[CH]1[CH](C)[CH](C2=CC=C(O)C(=C2)OC)C3=CC(=C(OC)C=C13)O~   13.561
26207 CCCCCCOC1=CC=C(C=C1)[C](O)(C(O)=O)C2=CC=CC=C2~    9.866
26208 COC1=C2OC(=O)C=CC2=CC=C1OCC=C(C)CCC=C(C)C~    6.474
26210 CC1=CC=C(C=C1)S(=O)(=O)O[CH]2CCCC[CH]2OS(=O)(=O)C3=CC=C(C)C=C3~   10.710
26211 COC1=CC2=C(C=C1O)[CH]([CH](CO)[C](O)(CO)C2)C3=CC=C(O)C(=C3)OC~   20.873
26212 CCOC(=O)[CH]1[CH]([CH](C(=O)OCC)[C](C)(O)CC1=O)C2=CC3=C(OCO3)C=C2~   17.633
26213 CCN1CC[CH](CC(C2=CC=CC=C2)C3=CC=CC=C3)C1~    6.364
26214 C1CCC(CC1)N[CH](CC2=CC=CC=C2)C3=CC=CC=C3~    6.582
26215 C[CH]1CCN(CC1)[CH](CC2=CC=CC=C2)C3=CC=CC=C3~    6.364
26216 C[CH]1CCCN(C1)[CH](CC2=CC=CC=C2)C3=CC=CC=C3~    6.364
26217 C[CH]1CCCCN1[CH](CC2=CC=CC=C2)C3=CC=CC=C3~    6.364
26219 O[CH]([CH]1CCCCN1)C2=C3C=CC=CC3=C4CCCCC4=C2~   11.207
26220 COC1=C(C[CH](C)N2CCC[CH]2C3=CC=CC=C3)C=CC=C1~    7.714
26222 CCC(=O)C(CCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2~    9.426
26223 OC(CNC1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3~   11.019
26224 CN(C)CCCC(C(C)=O)(C1=CC=CC=C1)C2=CC=CC=C2~    9.426
26225 OC(CCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3~   10.801
26226 CN1CCC(CC1)CC(O)(C2=CC=CC=C2)C3=CC=CC=C3~   10.801
26228 C[CH]1CCCCN1[CH]([CH](O)C2=CC=CC=C2)C3=CC=CC=C3~   10.801
26232 C1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=CC=C3~    8.418
26237 C[CH]1CCCN(C1)[CH]([CH](O)C2=CC=CC=C2)C3=CC=CC=C3~   10.801
26239 N[CH](CC1=CC=CC=C1)C2=CC(=CC=C2O)C3CCCCC3~   10.863
26240 C[C](O)([CH]([CH]1CCCCN1)C2=CC=CC=C2)C3=CC=CC=C3~   11.019
26241 C[CH]1CCN(CC1)[CH]([CH](O)C2=CC=CC=C2)C3=CC=CC=C3~   10.801
26242 CCN(CC)CCOC1=CC=C(C=C1)C=CC2=CC=CC=C2~    8.071
26243 C[N+]1(C)CCC(=O)C(CC1)(C2=CC=CC=C2)C3=CC=CC=C3~   18.047
26244 C[CH](COC1=CC=C(C=C1)C=CC2=CC=CC=C2)CN(C)C~    8.071
26247 CC[C](O)([CH](N1CCOCC1)C2=CC=CC=C2)C3=CC=CC=C3~   12.854
26248 O=C(C[N+]1(CCOCC1)CCC2=CC=CC=C2)C3=CC=CC=C3~   18.289
26249 CCC1(COCOC1)N[CH](CC2=CC=CC=C2)C3=CC=CC=C3~    9.991
26250 CN(C)CC1(C)COC(OC1)(C2=CC=CC=C2)C3=CC=CC=C3~    9.772
26251 CCN(CC)C[CH](CC1=CC=CC=C1)OC(=O)C2=CC=CC=C2~    8.365
26252 CCN(CC)CCC(C(O)=O)(C1=CC=CC=C1)C2=CC=CC=C2~   11.260
26253 CC(=O)OCCN(CCC1=CC=CC=C1)CCC2=CC=CC=C2~    8.876
26254 O=S(=O)(CCCN1CCCC1)C(C2=CC=CC=C2)C3=CC=CC=C3~   10.559
26255 CCCOC1=CC=C(O[CH](CN(C)C)C(=O)C2=CC=CC=C2)C=C1~   10.686
26256 CCN(CC)C[CH](OC1=C(OC)C=CC=C1)C(=O)C2=CC=CC=C2~   10.686
26258 CCN(CC)CCOC(=O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2~    9.684
26259 CCOC(C(=O)OCCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2~   10.082
26261 CCCCN[CH](C(=O)C1=CC=C(OC)C=C1)C2=CC=C(OC)C=C2~   10.535
26262 CC[N+]1(CCO[C](O)(C1)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3~   22.726
26264 O=S(=O)(CCCN1CCOCC1)C(C2=CC=CC=C2)C3=CC=CC=C3~   12.613
26267 COC1=CC=C(C=C1)[CH](N(CCO)CCO)C(=O)CC2=CC=CC=C2~   15.352
26268 COC1=C(OC)C(=CC(=C1)C(=O)OC2=CC=C(CCN(C)C)C=C2)OC~   11.714
26269 CCCCCC1=CC(=CC2=C(OC)C=C(N2)C3=CC=CN3)N=C1C~   10.682
26270 CCN(CC)CCOC(=O)C1=CC=C(NC(=O)NC2=CC=CC=C2)C=C1~   15.081
26271 CCN(CC)CCCN1C2=C(C=C(OC)C=C2)N=C3C=C(O)C(=O)C=C13~   12.635
26272 CCN(CC)CCOC(=O)C1=CC=C(NC(=O)C2=CC=CC(=C2)N)C=C1~   17.491
26273 CCN(CC)CCOC(=O)C1=CC=C(C=C1)N=NC2=CC=C(O)C(=C2)OC~   15.169
26274 CC1=CC(=C(CCC2=C(C)C=C(C)C=C2C)C(=C1)C)C~    2.939
26276 CC1(C)CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3~    9.914
26281 CNC(=O)C([CH](C)CN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2~   12.730
26282 CN(C)CCC(C(=O)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2~   12.513
26283 CCN(CC)CCNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~   12.730
26284 C1CN(CCO1)CCN(CC2=CC=CC=C2)CC3=CC=CC=C3~   11.971
26285 CC[CH]1C[CH]2C[CH]3[CH]1N(CCC4=C3NC5=C4C=C(OC)C=C5)C2~   10.706
26287 COC(CN1CCN(C)CC1)(C2=CC=CC=C2)C3=CC=CC=C3~   11.971
26288 C[CH](N1CCN(C)CC1)C(O)(C2=CC=CC=C2)C3=CC=CC=C3~   14.352
26290 CCC(=O)C(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C~    9.967
26293 CNC(=O)C(C[CH](C)[N+](C)(C)[O-])(C1=CC=CC=C1)C2=CC=CC=C2~   19.827
26294 C(CN1CCN(CCOC2=CC=CC=C2)CC1)OC3=CC=CC=C3~   12.456
26295 CCN(CC)C[CH](CC1=CC=CC=C1)OC(=O)C2=CC=C(N)C=C2~   11.815
26296 CCN(CC)C[CH](CC1=CC=CC=C1)OC(=O)NC2=CC=CC=C2~   11.565
26297 CC[CH]1CN2CC[CH]1C[CH]2[CH](O)C3=C4C=C(OC)C=CC4=NC=C3~   14.939
26299 CC1=CC(=C(C)C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(C)C=CC(=C3)C~   10.312
26300 CC1=CC=C(SCN2CCN(CC2)CSC3=CC=C(C)C=C3)C=C1~    7.893
26302 OCCN(CCO)C1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(N(CCO)CCO)C(=C2)[N+]([O-])=O)[N+]([O-])=O~   20.583
26303 COC(=O)N[CH]1[CH](OC(C)=O)[CH](OC(C)=O)[CH](COC(C)=O)O[CH]1N2C=CC(=NC2=O)NC(C)=O~   27.660
26305 O=C(CCCSCCCC(=O)NNC1=CC=CC=C1)NNC2=CC=CC=C2~   18.324
26306 CN(C)C1=CC=C(NC(=O)OCCOC(=O)NC2=CC=C(C=C2)N(C)C)C=C1~   14.463
26307 CN(C)C1=C(NC(=O)OCCOC(=O)NC2=C(C=CC=C2)N(C)C)C=CC=C1~   14.463
26308 OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)C(C=NNC1=CC=CC=C1)=NNC2=CC=CC=C2~   20.213
26309 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCN(CCO)S(=O)(=O)C2=CC=C(NC(C)=O)C=C2~   23.465
26310 N=C(NC1=CC=CC=C1)SCCCCCCSC(=N)NC2=CC=CC=C2~   16.000
26311 CN(C)C1=CC=C(C=C1)C=NNC(=N)C(=N)NN=CC2=CC=C(C=C2)N(C)C~   16.959
26312 CN1C(=O)N(C)C2=C(N(C)C(=N2)CCCCC3=NC4=C(N3C)C(=O)N(C)C(=O)N4C)C1=O~   22.504
26314 CC(=O)O[CH](COS(=O)(=O)C1=CC=C(C)C=C1)[CH]2O[CH]3OC(C)(C)O[CH]3[CH]2OC(C)=O~   17.388
26315 CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(=O)[CH](OC(C)=O)[CH]1OC(C)=O~   18.386
26316 COC1=CC=C(C=C1)C(CC(C)(C)C)C2=CC=C(OC)C=C2~    5.159
26317 C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]34)[CH]1CC[C]2(O)C#C~    9.237
26319 COC1=CC=C(CCCCCCC2=CC=C(OC)C=C2)C=C1~    5.159
26320 CC(=O)[CH]1CC[CH]2[CH]3CCC4=C(C=CC(=C4)O)[CH]3CC[C]12C~    9.175
26322 CC[CH]([CH](CC)C1=CC(=C(O)C(=C1)C)C)C2=CC=C(O)C=C2~   10.583
26323 C[CH](CCC1=C(C)CC[CH]1C(C)=C)OC(=O)C2=CC=CC=C2~    3.306
26324 CC(C)(C)C1=CC(=C(O)C=C1)SC2=CC(=CC=C2O)C(C)(C)C~   11.644
26327 CC[CH](C1=CC=C(OC)C=C1)[C](O)(CC)C2=CC=C(OC)C=C2~    9.597
26328 COC1=CC2=CC(=O)[CH]3[CH]4CCC(=O)[C]4(C)CC[CH]3[C]2(C)CC1~    8.611
26330 CC(C)(C)CC(C)(C)C1=CC=C(OS(=O)(=O)C2=CC=CC=C2)C=C1~    5.622
26331 O=C(OC1CCCCC1)C2=C(C=CC=C2)C(=O)OC3CCCCC3~    6.131
26332 CC(C)=C[CH]1[CH](C(=O)OCCCC2=CC3=C(OCO3)C=C2)C1(C)C~    6.893
26333 CC(C)C1=CC2=C(C(=C1O)O)[C]34CCCC(C)(C)[CH]3C[CH]2OC4=O~   12.688
26335 OC[CH](O)[CH](O)[CH](O)[CH](O)C(SCC1=CC=CC=C1)SCC2=CC=CC=C2~   16.833
26337 CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCOS(=O)(=O)C2=CC=C(C)C=C2~   10.354
26338 C[CH](CC[CH](C)OS(=O)(=O)C1=CC=C(C)C=C1)OS(=O)(=O)C2=CC=C(C)C=C2~   10.354
26341 CC[CH]([CH](CC)C1=CC=C(C=C1)N(C)C)C2=CC=CC=C2~    4.502
26344 CCCN(CCC)C[CH](O)C1=C2C=CC=C3CCC(=C23)C=C1~    8.302
26345 CCC(C)(C)C1=CC(=C(O)C(=C1)CN(C)C)C2=CC=CC=C2~   10.093
26346 CCCN(CCC)C[CH](O)C1=C2CCC3=C2C(=CC=C3)C=C1~   10.633
26347 CC[CH](O)CN(C)CC1=C2C=CC=CC2=C3CCCCC3=C1~   10.633
26348 C[N+]1(C)CCCC([CH](O)C1)(C2=CC=CC=C2)C3=CC=CC=C3~   19.066
26350 OC1=CC=C(C=C1)C(C#N)(C2CCCCC2)C3CCCCC3~    8.827
26351 CCN(CC)C[CH](C)C(O)(C1=CC=CC=C1)C2=CC=CC=C2~   10.445
26352 CCN(CC)C[CH](C1=CC=CC=C1)[C](C)(O)C2=CC=CC=C2~   10.445
26353 CC[CH](O)C(CCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2~   10.445
26356 C[CH]1CCN(CCOC(=O)[CH]([CH]2CCC=C2)C3=CC=CC=C3)C1~    7.812
26357 O=C(OCCCN1CCCC1)[CH]([CH]2CCC=C2)C3=CC=CC=C3~    7.812
26361 O=C(OCCN1CCCC1)[CH]([CH]2CCCC=C2)C3=CC=CC=C3~    7.812
26362 O=C(C1CCCCC1)N(C2CCCCC2)C(=O)C3=CC=CC=C3~    7.084
26363 CCN(CC)[CH](CC1=CC=CC=C1)C2=CC=C(OCCO)C=C2~   11.796
26364 C(CCOC1=CC=CC=C1)CNCCCCOC2=CC=CC=C2~    8.767
26365 CCC(C)(C)[CH](OC(=O)NC1=C2C=CC=CC2=CC=C1)C(C)C~    7.686
26366 CC(C)[CH](CC(C)(C)C)OC(=O)NC1=C2C=CC=CC2=CC=C1~    7.686
26369 CCCC1=C(NC(=O)[CH]2[CH](C=C(C)C)C2(C)C)C=C3OCOC3=C1~   10.210
26370 OCCOC1=C(C=CC=C1)[CH](CC2=CC=CC=C2)N(CCO)CCO~   14.670
26371 OCCOC1=CC=C(C=C1)[CH](CC2=CC=CC=C2)N(CCO)CCO~   14.670
26373 CCN(CC)CCNC(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2~   12.072
26375 COC1=CC(=C2N=CC=CC2=C1)NC[C](C)(O)CN(CC=C)CC=C~   17.636
26376 CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C~   28.106
26377 CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C~   24.556
26378 CC1=CC(C)(C)C2=C1C=C3C(=C2)C(C)(C)CCC3(C)C~    1.889
26380 CC[CH](C)NC1=CC=C(C=C1)C2=CC=C(N[CH](C)CC)C=C2~    8.866
26382 CCCCCCCCNC1=CC=C(NC2=CC=CC=C2)C=C1~    8.228
26383 CC[N+](C)(C)CCC(C(N)=O)(C1=CC=CC=C1)C2=CC=CC=C2~   21.215
26385 C[N+](C)(C)CCCNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~   20.996
26386 C[C]12CC[CH](O)CC1=CC[CH]3[CH]2CC[C]4(C)[CH]3CC5=CNN=C45~    9.345
26387 CN(CCOC1=CC=CC=C1)CCN(C)CCOC2=CC=CC=C2~   12.101
26388 C[CH](CC[CH](C)[N+]1=CC(=CC=C1)C(C)=O)[N+]2=CC(=CC=C2)C(C)=O~   17.377
26393 CCN(CC)C1=CC=C(SSC2=CC=C(C=C2)N(CC)CC)C=C1~    7.420
26398 C[C]12CC[CH]3[CH](CCC4=CCCC[CH]34)[CH]1CC[C]2(O)C#C~    5.545
26399 CC1(C)CCC2=C1CC[CH]3[CH]2CCC4=CC(=O)CC[C]34C~    3.804
26400 CC(C)C1=CC2=C(C=C1)[C]3(C)CCC[C](C)([CH]3CC2)C(O)=O~    6.750
26401 C[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)C3=CC[C]12C~    8.313
26402 C[C]1(O)CC[CH]2[CH]3C=CC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C~    8.474
26403 CC(=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[CH]4[CH]3CC[C]12C~    7.311
26405 C[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[CH]3CC[C]12C~    8.658
26408 C[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[C]35O[CH]5C[C]12C~   11.240
26410 COC1=CC2=C(C=C1)[CH]3CC[C]4(C)[CH](O)[C](C)(O)C[CH]4[CH]3CC2~    9.000
26411 C[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[CH]3[CH](O)C[C]12C~   10.095
26412 CC(=O)[CH]1CC[CH]2[CH]3CC=C4OC(=O)CC[C]4(C)[CH]3CC[C]12C~    5.662
26413 C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2OC(O)=O~    8.595
26415 C[CH]1C[CH]2OC(=O)[C]3(C)CCC[C](C)([CH]23)[C]1(O)CCC4=COC=C4~    8.754
26416 C[C]12CC[CH]3[CH](CC[CH]4CC(=O)C(C[C]34C)=CO)[CH]1CCC(=O)O2~   10.372
26417 C[C]12CC[CH]3[CH](CCC4=C3C=CC(=C4)OS(C)(=O)=O)[CH]1CC[CH]2OS(C)(=O)=O~    9.839
26418 C[CH]1[CH](O)[C]2(O)OC[C]34[CH](C[CH]5C(=C[CH](O)[CH](O)[C]5(C)[CH]23)C)OC(=O)[CH](O)[CH]14~   12.936
26419 CCCN(CCC)CCC[CH](O)C1=C2C=CC=CC2=CC=C1~   10.116
26420 CC[N+](C)(CC)C[CH]([CH](O)C1=CC=CC=C1)C2=CC=CC=C2~   18.710
26421 C[CH]1CCCN1CCOC(=O)[CH](C2CCCC2)C3=CC=CC=C3~    7.757
26422 C[CH](COC(=O)[CH](C1CCCC1)C2=CC=CC=C2)N3CCCC3~    7.757
26423 C[CH](CN1CCCC1)OC(=O)[CH](C2CCCC2)C3=CC=CC=C3~    7.757
26424 O=C(OCCCN1CCCC1)[CH](C2CCCC2)C3=CC=CC=C3~    7.757
26425 O=C(OCCN1CCCC1)[CH](C2CCCCC2)C3=CC=CC=C3~    7.757
26426 C[N+]1(CCCC1)CCOC(=O)[CH]([CH]2CCC=C2)C3=CC=CC=C3~   16.078
26428 CC(C)N(C)CCOC(=O)[CH]([CH]1CCCC=C1)C2=CC=CC=C2~    7.457
26429 CCN(CC)CC[C]1([CH]2CCCC[CH]2OC1=O)C3=CC=CC=C3~    7.757
26430 CCN(CC)CC(C)(C)[CH](O)C1=C2C=CC=CC2=C(OC)C=C1~   11.467
26432 C[C]12CC[CH](O)CC1=CC[CH]3[CH]2CC[C]4(C)[CH]3C[CH]5[CH](O)ON=C45~    8.269
26433 CCN(CCO)C[CH]1O[CH](O[CH]2[CH]1O[CH]3OC(C)(C)O[CH]23)C4=CC=CC=C4~   20.154
26434 CC1(C)O[CH]2O[CH]3[CH](CN(CCO)CCO)O[CH](O[CH]3[CH]2O1)C4=CC=CC=C4~   21.590
26435 CC[CH](CNC1=C2N=CC=CC2=CC(=C1)OC)NC3CCCCC3~   13.517
26436 CCN(CC)CCCNC1=CC=C(NC2=CC=C(OC)C=C2)C=C1~   13.129
26437 CCN(CC)CCCCCNC1=C2N=CC=CC2=CC(=C1)OC(C)=O~   13.759
26438 CCCCOCC1=C2C=CC=NC2=C(O)C(=C1)CN3CCN(C)CC3~   18.463
26439 COC1=CC(=C2N=CC=CC2=C1)NC[CH](O)CN3CC[CH](C)C[CH]3C~   17.735
26440 COC1=CC(=C2N=CC=CC2=C1)NC[CH](O)CN3[CH](C)CCC[CH]3C~   17.735
26441 CCOC(=O)C1=C(C)NC(=C1C)CNCC2=C(C)C(=C(C)N2)C(=O)OCC~   16.476
26442 O=C(C(CN1CCCCC1)CN2CCCCC2)C3=CC=CC=C3~   11.345
26443 CCN(CC)C(=O)C1CCN(CC1)CC2=CC3=C(CCC3)C=C2~   11.553
26444 C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3CC5=CNN=C45~    9.361
26445 CCCCN(CCCC)CC1=C(C)N=C2C=C(OC)C=CC2=C1O~   13.854
26447 CCCCOC(=O)C1=CC=C(NC(=O)CC[CH](C)N2CCOCC2)C=C1~   15.131
26448 CCOC(=O)NN(C(=O)OCC)C1=C(C)C=C(N(NC(=O)OCC)C(=O)OCC)C(=C1)C~   15.975
26450 CC(C)C1=CC2=C(C=C1C(C)=O)C(C)(C)C[CH](C)C2(C)C~    4.128
26451 CCC1=CC2=C(C=C1C(=O)C(C)C)C(C)(C)CCC2(C)C~    4.128
26454 CC(C)C1=CC[CH]2C(=C1)CC[CH]3[C]2(C)CCC[C]3(C)C(O)=O~    5.170
26455 CC(C)=C1CC[CH]2C(=C1)CC[CH]3[C]2(C)CCC[C]3(C)C(O)=O~    5.098
26457 C[C]1(CC[CH]2C(=C1)CC[CH]3[C]2(C)CCC[C]3(C)C(O)=O)C=C~    5.225
26458 C[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C~    8.330
26459 CC[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[CH]4[CH]3CC[C]12C~    8.330
26461 CC1(C)C(=O)CC[CH]2[CH]3CC[C]4(C)[CH](O)CC[CH]4[CH]3CC=C12~    8.057
26462 CO[CH]1CC[C]2(C)[CH]3CC[C]4(C)CC(=O)C[CH]4[CH]3CC=C2C1~    5.674
26464 C[CH]1C[C]2(C)[CH](CC[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O)CC1=O~    7.054
26465 CC[C]1(O)CC[CH]2[CH]3CCC4=C(CCC(=O)C4)[CH]3CC[C]12C~    7.983
26466 C[C]1(O)CC[CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)C3=CC[C]12C~    8.057
26467 CC1=C[C]2(C)[CH](CC[CH]3[CH]4CC[CH](O)[C]4(C)CC[CH]23)CC1=O~    8.330
26469 C[CH]1C[CH]2[CH]3CC[CH](O)[C]3(C)CC[CH]2[C]4(C)CCC(=O)C=C14~    8.330
26470 CC1=C2CC[CH]3[CH]4CC[CH](O)[C]4(C)CC[CH]3[C]2(C)CCC1=O~    8.257
26472 CCCCCC(=CC1=CC=CC=C1)[CH]2OCC(C)(C)[CH](C)O2~    4.703
26473 CCCCCC(=CC1=CC=CC=C1)C2OCC(C)(CC)CO2~    4.703
26474 CC(C)C1=CC2=C(C=C1O)[C]3(C)CCC[C](C)(CO)[CH]3CC2~    9.917
26475 CC(C)(O)C1=CC2=C(C=C1)[C]3(C)CCC[C](C)(CO)[CH]3C[CH]2O~    8.810
26479 C[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C~    9.767
26480 C[C]1(O)CC[CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3C(=O)C[C]12C~   11.491
26481 C[C]12CC[CH]3[CH](CC[CH]4CC(=O)C(C[C]34C)=CO)[CH]1CC[CH]2O~    8.939
26482 COC(=O)CCCCCCCC[CH](C)C1=CC=C(C=C1)C(C)=O~    6.481
26483 C[CH]1C[C]2(C)[CH](CC[CH]3[CH]4CCC(=O)O[C]4(C)CC[CH]23)CC1=O~    6.504
26484 C[C]1(O)CC[CH]2[CH]3CCC4=C(O)C(=O)CC[C]4(C)[CH]3CC[C]12C~    5.237
26485 CC(=O)O[CH]1CC[CH]2[CH]3CC[CH]4CC(=O)CC[CH]4[CH]3CC[C]12C~    6.504
26486 C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3CC(=CO)C4=O~    8.939
26489 CCCC[CH](CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(C)C~    5.420
26492 C[C]12CC[CH]3[CH](CC[CH]4C[CH](O)CC[C]34C)[CH]1CC(=CO)C(=O)O2~    8.390
26493 C[CH]1C[CH](O)[CH]2[C](C)(CCC[C]2(C)[C]1(O)CCC3=COC=C3)C(O)=O~   12.218
26494 CCCCOCCOC(=O)C1=C(C=CC=C1)C(=O)OCCOCCCC~    9.529
26495 CC(OC(=O)CCCCC(=O)OCC=C)OC(=O)CCCCC(=O)OCC=C~   10.529
26496 CC(C)C1=CC2=C(C=C1)[C]3(C)CCC[C](C)(CN)[CH]3CC2~    5.485
26497 O[C](CCN1CCCCC1)(C2CCCCC2)C3=CC=CC=C3~    9.325
26498 C[CH]1CCN(CCOC(=O)[CH]([CH]2CCCC=C2)[CH]3CCC=C3)C1~    6.394
26499 C[CH]1CCCN1CCOC(=O)[CH]([CH]2CCCC=C2)[CH]3CCC=C3~    6.394
26500 CCC1=CC(=C(C(=O)OCCN2CCCCC2)C(=C1)CC)CC~    7.130
26501 CN1C(=O)CC[C]2(C)[CH]3CC[C]4(C)[CH](CC[C]4(C)O)[CH]3CC=C12~   10.896
26503 CCN(CC)CCOC(=O)[CH](C1CCCCC1)C2=CC=CC=C2~    7.402
26504 CC(C)OC1=CC(=C(C(=O)OCCN2CCC(C)(C)C2)C(=C1)C)C~    8.401
26505 CCCOC1=CC(=C(C(=O)OCCN2[CH](C)CC[CH]2C)C(=C1)C)C~    8.401
26506 CCCOC1=CC(=C(C(=O)OC[CH](C)CN2CCCC2)C(=C1)C)C~    8.401
26508 CC(C)OC1=CC(=C(C(=O)OCCN2[CH](C)CC[CH]2C)C(=C1)C)C~    8.401
26509 CC(C)OC1=CC(=C(C(=O)OCCCN2CCC[CH]2C)C(=C1)C)C~    8.401
26510 CC(C)OC1=CC(=C(C(=O)OC[CH](C)CN2CCCC2)C(=C1)C)C~    8.401
26512 CCN(CC)CCOC(=O)[CH](C1=CC=CC=C1)C2(O)CCCCC2~   11.839
26513 C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3C[CH]5[CH](O)ON=C45~    8.286
26514 COCOC1=C2OCN(CC2=CC(=C1)C(C)(C)C)C3CCCCC3~    8.425
26515 CCC(CC)COCCOCCCN1C(=O)[CH]2[CH]3C[CH](C=C3)[CH]2C1=O~   10.286
26518 CCCCN(CCCC)CCCNC1=C2C=CC=CC2=CC=N1~   11.592
26519 CCC[CH](C)NCCCCCNC1=C2N=CC=CC2=CC(=C1)OC~   13.162
26521 COC1=CC(=C2N=CC(=C(C)C2=C1)C)NCCCCCNC(C)C~   13.322
26522 COC1=CC(=C2N=CC=CC2=C1)NCCN(CC(C)C)CC(C)C~   12.943
26524 COC1=CC(=C2N=CC=CC2=C1)N[CH](C)CN(CC(C)C)C(C)C~   12.943
26525 CCN(CC)CCC[CH](C)NC1=C2C=CC=C(OC)C2=NC=C1C~   13.024
26526 CCCCN(CC)C[CH](CC)NC1=C2N=CC=CC2=CC(=C1)OC~   12.943
26527 CC[CH](C)N(CCNC1=C2N=CC=CC2=CC(=C1)OC)CC(C)C~   12.943
26528 COC1=CC(=C2N=CC=CC2=C1)NCCN(CCC(C)C)C(C)C~   12.943
26529 CCCCN(CCNC1=C2N=CC=CC2=CC(=C1)OC)[CH](C)CC~   12.943
26530 CCN(CC)CCCOCCCNC1=C2N=CC=CC2=CC(=C1)OC~   15.000
26531 C1CCN(CC1)C2=NC3=C(N=C(N=C3N2)N4CCCCC4)N5CCCCC5~   11.507
26533 CCCCCCCCCC1=NC(C)(C)CN1C2=CC=CC=C2~    4.251
26534 C#CC[N+]1(CCCC1)CCCC#CC[N+]2(CCCC2)CC#C~   20.157
26535 CCCCCCCCCCCCN1C(=NC2=C1C=CC=C2)C~    3.710
26536 C(CCCCC[N+]1=CC=CC=C1)CCCC[N+]2=CC=CC=C2~   11.406
26538 OC1=C(CNC2CCCCC2)C=C(O)C(=C1)CNC3CCCCC3~   16.921
26539 COC1=C(OC)C(=C(O)C(=C1)CN2CCCCC2)CN3CCCCC3~   15.204
26540 CCOC(=O)N1CCN(CCOC2=CC=C(C=C2)C(C)(C)CC)CC1~   11.839
26543 CCCCCOC(=O)C1=CC=CC(=C1)NC(=O)CN(CC)CCCC~   11.420
26544 CC(=NN=C(C)[CH]1C[CH](CC(O)=O)C1(C)C)[CH]2C[CH](CC(O)=O)C2(C)C~   11.228
26545 CCCCOC1=CC=C(OCCCN2CCN(CC2)C(=O)OCC)C=C1~   13.110
26546 CCCCCCCCCCCCCSC1=NC2=CC=CC=C2N1~    6.495
26547 CCN(CC)CCC[CH](C)NC1=C2C=C(C=CC2=NC=C1)N(C)C~   13.636
26548 CCN(CC)CCCNCCCNC1=C2N=CC=CC2=CC(=C1)OC~   16.712
26550 CCCCCCCCCCNC1=NC(=NC(=N1)N)NC2=CC=C(C)C=C2~   11.489
26551 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2CCCCC2~    5.125
26553 CCCCCCCCCCCCCC(=O)C1=CC=CC=C1~    3.532
26554 CC1=CC[C]2(C)[CH](CC[CH]3[CH]4CC[CH](O)[C]4(C)CC[CH]23)C1~    4.638
26555 CC[C]1(O)CC[CH]2[CH]3CCC4=CCCC[CH]4[CH]3CC[C]12C~    4.638
26558 CCSC(SCC)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](COC(C)=O)OC(C)=O~   17.332
26559 CC[C]1(C)CC[CH]2C(=C1)CC[CH]3[C]2(C)CCC[C]3(C)C(O)=O~    5.097
26560 CC(C)C1CCC2(C)C(CCC3C4(C)CCCC23OC4=O)C1~    3.087
26561 CCC1(C)CCC2(C)C(CCC3C4(C)CCCC23OC4=O)C1~    3.087
26562 CCCCC(CCCC)CCCOC(=O)CC1=CC=CC=C1~    3.496
26563 C[C]1(O)CC[CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3CC[C]12C~    8.073
26565 C[C]1(O)CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C~    6.075
26568 CO[CH]1CC[C]2(C)[CH]3CC[C]4(C)C[CH](O)C[CH]4[CH]3CC=C2C1~    6.693
26570 CCCCCCCCCCCC(=O)OCCC1=CC=CC=C1~    3.496
26573 C[C]1(O)CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3[CH](O)C[C]12C~    7.511
26574 C[C]1(O)CC[CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C~    9.510
26575 CCCCC1(CC)COC(C)(CCC2=CC=C(OC)C=C2)OC1~    5.742
26576 CCCCCCCCCCCCOC(=O)C1=CC=C(O)C(=C1)OC~    8.317
26577 CC(C)(C)CC(C)(C)C1=CC(=C(O)C=C1)CN2CCCCC2~    8.595
26578 CN(C)CC1=CC(=CC(=C1O)CC=C)C(C)(C)CC(C)(C)C~    8.447
26579 CCC(C)(C)C1=CC(=C(O)C(=C1)CN(C)C)C2CCCCC2~    8.676
26581 CCCC1=C(OCC=C)C(=CC(=C1)CN(CC)CC)CCC~    5.815
26582 CCCCCCCCCCCCNCC1=CC2=C(OCO2)C=C1~    7.453
26585 CCCCC[CH](O)[CH](C(=O)OCCN(CC)CC)C1=CC=CC=C1~   11.483
26586 CCOC(=O)N1CCN(CCCOC2=CC(=CC=C2)N(CC)CC)CC1~   13.804
26587 CCCCCOC(=O)NC1=CC(=C(NC(=O)CN(CC)CC)C(=C1)C)C~   11.583
26588 CC(C)(C)C1=CC=C(OCCCCCCN2CCNCC2)C=C1~    9.654
26589 CCCCC(CCCC)(CCCC)CNC(=O)C1=CC=CN=C1~    9.597
26590 CN(C)CC1=CC(=CC(=C1O)CNC2CCCCC2)C(C)(C)C~   12.445
26591 CN(C[CH](O)[CH](O)[CH](O)[CH](O)CO)C1=CC(=O)C(=CC1=O)N(C)C[CH](O)[CH](O)[CH](O)[CH](O)CO~   28.421
26593 CCC[CH]1C2=C3OCOC3=CC=C2CC[N+]1(C)CCN(CC)CC~   19.487
26594 CCN(CC)CCNC(=O)C1=CC=C(C=C1)C(=O)NCCN(CC)CC~   17.029
26596 C[CH]1CC[CH]2CC[CH]3[CH]4CC[CH](O)[C]4(C)CC[CH]3[C]2(C)C1~    4.654
26599 CC(C)COC(=O)[CH](C)OC(=O)OCCOCCOC(=O)O[CH](C)C(=O)OCC(C)C~    9.530
26600 CC(C)[CH]1CC[CH]2[CH](CC[CH]3[C]2(C)CCC[C]3(C)C(O)=O)C1~    5.114
26601 C[CH]1C[C]2(C)[CH](CC[CH]3[CH]4CC[CH](O)[C]4(C)CC[CH]23)C[CH]1O~    6.092
26602 C[C]1(O)CC[CH]2[CH]3CC[CH]4CCCC[C]4(C)[CH]3[CH](O)C[C]12C~    6.092
26603 C[CH]1C[CH]2[CH]3CC[CH](O)[C]3(C)CC[CH]2[C]4(C)CC[CH](O)C[CH]14~    6.092
26604 C[C]1(O)CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3[CH](O)C[C]12C~    7.529
26605 O=C(CCCCC(=O)OCCC[CH]1CCCO1)OCCC[CH]2CCCO2~   10.254
26606 O=C(CCCCCCCCC(=O)OC[CH]1CCCO1)OC[CH]2CCCO2~   10.254
26608 CCCCCCCCCCCCSCCC1=CC=CC=C1~    2.721
26609 CCCCCCCCCCCCNCC1=CC=C(C)C=C1~    4.476
26610 CC(C)[CH]1CC[CH]2C(=C1)CC[CH]3[C](C)(CN)CCC[C]23C~    3.833
26611 CCCC[CH]([CH](O)C1=CC=C(C=C1)C(C)(C)C)N(CC)CC~    8.695
26612 CCCC[CH]([CH](O)C1=CC=CC=C1)N(CCCC)CCCC~    8.614
26613 CCN(CC)CC1=CC(=CC(=C1O)C)C(C)(C)CC(C)(C)C~    8.320
26614 CC(C)N(CCOC1=C(C=CC=C1C(C)C)C(C)C)C(C)C~    5.607
26616 CN(C)CCOCCOC1=CC=C(C=C1)C(C)(C)CC(C)(C)C~    7.583
26619 CCN(CC)CCOC(=O)C1=CC=C(N[CH](CO)CN(CC)CC)C=C1~   17.754
26620 CCCCCC[CH](C)C1=CC(=C(O)C(=C1)CN(C)C)CN(C)C~   11.870
26621 CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(C)(C)CC(C)(C)C~   11.870
26622 CCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C(N)=O~   14.609
26624 O[CH]1CN(C[CH]1[C]2(O)CCN(C2)C3CCCCC3)C4CCCCC4~   13.192
26625 CC(C)[CH]1CC[C]2(C)[CH](CC[CH]3[C](C)(CO)CCC[C]23O)C1~    5.735
26627 CCCCCCCC(=O)O[CH]1CCCC[CH]1C2CCCCC2~    2.376
26628 CCCCCCCC(=O)OC1CCC(CC1)C2CCCCC2~    2.376
26629 O=C(CCCC1CCCCC1)OCCCCC2CCCCC2~    2.376
26630 CCOC(=O)CCCCCCCCCCCC[CH]1CCC=C1~    2.076
26633 CCCC[CH](CC)COC(=O)C=CC(=O)OC[CH](CC)CCCC~    5.135
26637 CCCC(=O)OCCC[CH](CC[CH](C)OC(=O)CCC)OC(=O)CCC~    7.403
26638 CCOC[C](C)(COC(C)=O)C[C](C)(COC(C)=O)C[CH](C)COC(C)=O~    9.457
26640 CCCCCCCCCCCCCC[N+]1=CC=C(C)C=C1~    8.180
26641 CCCCCCCCCC[N+]1(C)C[CH]2[CH]3C[CH](C=C3)[CH]2C1~   11.733
26642 CCCCCCCCCCCCCC[N+]1=CC=CC=C1C~    8.180
26643 CCNC(=O)C(CCC1CCCCC1)CCC2CCCCC2~    6.229
26644 CCCCCCCCC=CCCCCCCCC1=NCCO1~    2.565
26645 CCCCCCCCCCCCCCCCN=C(CC(O)=O)C(O)=O~    9.303
26646 CCCCCCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC~    9.959
26647 CCN(CC)CCCCCCNC1=C(C=C(OC)C(=C1)OC)N(C)C~   12.077
26650 CCN(CC)CCN1C(=O)N(CCN(CC)CC)C(=O)C(CC)(CC)C1=O~   17.631
26651 C(CCSCCCCSCCCCCC1=NCCN1)CCC2=NCCN2~   13.845
26652 COC[CH]1O[CH](O[C]2(COC)O[CH](COC)[CH](OC)[CH]2OC)[CH](OC)[CH](OC)[CH]1OC~   22.307
26654 CCCC[CH](CC)CC[CH](C)OC(=O)CCC1CCCCC1~    2.020
26655 CCCCCCC[C](C)(O)C#C[C](C)(O)CCCCCCC~    5.873
26656 CCCCCCCCCCCCCCCCCC(=O)OC=C~    0.963
26657 CCCCC1(CC)COC(CCCCCCCCC=C)OC1~    2.688
26658 CCCCCCCC(=O)OCCCCOC(=O)CCCCCCC~    4.533
26659 CCCCCC[CH](O)CC=CCCCCCCCC(=O)OCCO~    7.593
26661 CCCCCCCCOC(=O)C[CH](C(=O)OCCCCCCCC)S(O)(=O)=O~   11.301
26662 C[CH](CC=C([CH](C)CC(C)(C)C)C1SCCS1)CC(C)(C)C~    3.324
26664 C[CH]1C[CH](C)[CH](C)[CH](CNC[CH]2C[CH](C)C[CH](C)[CH]2C)C1~    3.276
26665 CCCCCCCCCCCCCCCC(=O)N1CCOCC1~    7.710
26666 CCCCCCCCCCCCCCCCCC(=O)NCC(O)=O~    9.470
26667 CCCCCCCCCCCCCCCC[CH](NC(C)=O)C(O)=O~    9.470
26668 CCCCCCCCCCCCCCCCCC1=NC(=NC(=N1)N)N~    7.260
26669 CCCCCCCCCCCCCCCCCC1=NCCN1~    4.224
26671 CCCCCCCCCCCC1=NC(C)(C)CN1C(C)(C)CO~    8.442
26672 CC[N+](C)(C)CCCOC1=CC=C(OCCC[N+](C)(C)CC)C=C1~   20.879
26673 CCCCCCOC(=O)NCCCCCCNC(=O)OCCCCCC~    7.943
26675 CCN(CC)C(=S)S[Se](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC~    6.526
26681 CCCCCCC[CH]1C[CH](OCC)O[CH](CCCCCCC)O1~    4.614
26682 CCCCCCCCCCCCCCCCCC(=O)OCCO~    6.101
26683 CCCCCC[CH](O)CCCCCCCCCCC(=O)OCCO~    7.538
26686 CCCCCCCCCCCC(=O)N(CCCC)CCCC~    5.299
26687 CCCCCCCCN(CCCCCCCC)C(=O)C(C)C~    5.299
26688 CCCCCCCCCCCCOC(=O)C[N+]1(C)CCCCC1~   12.536
26689 CCCCCCCCCCCCCCCCCC(=O)NCCO~    9.955
26690 CCCCCCCCCCCCCCCCCC[CH](N)C(O)=O~    6.735
26691 CCCCCCCCCCCCCCCCCCOC(=O)CN~    4.352
26692 CCCCCCCCCCCCCCNCCCCCC(O)=O~    7.815
26693 CCCCCCCCCCCCCCCCNC(=O)OC(C)C~    4.971
26694 CCCCCCCCCCCC1=NCCN1CCNCCCC~    7.775
26695 CC(C)(C)CC(C)(C)N1CC(O)CN(C1)C(C)(C)CC(C)(C)C~    8.189
26697 C[CH](CCN1CCN(CC[CH](C)CC(C)(C)C)S1(=O)=O)CC(C)(C)C~    4.516
26699 CCCCCCCCS(=O)(=O)OCCCCOS(=O)(=O)CCCCCCCC~    7.564
26700 CCCC[CH](CC)CS(=O)(=O)OCCCCOS(=O)(=O)C[CH](CC)CCCC~    7.564
26701 CCCCCC[CH](C)S(=O)(=O)OCCCCOS(=O)(=O)[CH](C)CCCCCC~    7.564
26703 CCCCCCCCCCNCCCCCCCCCC~    2.564
26704 CCCCCCCCCCCCNCCCCCCCC~    2.564
26705 CCCCCCCCCCCCCCCCN[CH](C)CC~    2.564
26706 CCCCCCCCCCCCCCCC[N+](C)(C)CC(O)=O~   14.562
26707 C[N+]1(CCCCCC1)CCCCCC[N+]2(C)CCCCCC2~   17.138
26708 C[N+]1(CCCCCCC1)CCCC[N+]2(C)CCCCCCC2~   17.138
26710 CCCCCCCCCCCCCCCC[N+](C)(C)CC~   10.611
26711 CC(C)CC[N+](CCC(C)C)(CCC(C)C)CCC(C)C~   10.611
26712 [O-][N+](=O)C1=CC=CC2=C1C(=O)C3=C(OC4=C3C5=CC=CC=C5C=C4)C2=O~   12.924
26713 O=C1N(C2=CC3=C(C=C2)C4=CC=CC=C4C3=O)C(=O)C5=CC=CC=C15~   11.179
26716 [O-][N+](=O)C1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(NC(=O)C4=CC=CC=C4)C=C1~   17.547
26718 O=C1C2=CC=CC=C2C3=CN(C4=CC=CC=C4)C5=CC=CC1=C35~   12.393
26721 NC1=C(C=CC2=C1C(=O)C3=C(C=CC=C3)C2=O)C(=O)C4=CC=CC=C4~   15.393
26722 O=C1N(C2C3=C(OC4=C2C=CC=C4)C=CC=C3)C(=S)SC1=CC5=CC=CO5~   11.535
26723 OC(=O)C1=CC=C2C(=O)C3=CC=CC=C3C(=O)C2=C1NC4=CC=CC=C4~   16.903
26724 OC(=O)C1=C(C=CC=C1)C(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4C3=O~   17.510
26725 OC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(NC(=O)OC4=CC=CC=C4)C=C1~   15.205
26726 [O-][N+](=O)C1=CC=C(C=C1)C2=NC3=C4C=CC=CC4=C5C=CC=CC5=C3N2~   11.975
26727 OC1=C(C=CC=C1)C(SC2=NC3=CC=CC=C3S2)SC4=NC5=CC=CC=C5S4~   19.866
26728 [O-][N+](=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C4=C(C=CC=C4)C=C3~   13.338
26729 NC1=C2C(=O)C3=CC=CC(=C3C(=O)C2=CC=C1)NC(=O)C4=CC=CC=C4~   18.593
26731 NC1=C2C(=O)C3=C(NC(=O)C4=CC=CC=C4)C=CC=C3C(=O)C2=CC=C1~   18.593
26732 [O-][N+](=O)C1=CC=C2N=C(SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)SC2=C1~   15.357
26733 O=C1C=CC(=O)N1C2=CC=C(CC3=CC=C(C=C3)N4C(=O)C=CC4=O)C=C2~   16.955
26734 C1=CC=C2C=C(C=CC2=C1)N3N=NN=C3C4=CC5=C(C=CC=C5)C=C4~   11.788
26735 OC1=C(N=NC2=CC=C(SC3=CC=C(C=C3)[N+]([O-])=O)C=C2)C(=C4C=CC=CC4=N1)O~   21.330
26736 O=C1C2=C(C=CC=C2)C(=CC3=CC=CC=C3)C4=C1C=CC=C4~    8.042
26737 O=C(OC1=C2C=CC=CC2=CC=C1)OC3=C4C=CC=CC4=CC=C3~    6.093
26738 N#CC(C1=CC=CC=C1)=C(C2=CC=CC=C2)C3=CC=CC=C3~    7.910
26739 O=C(NC1=CC2=C(C=CC=C2)C=C1)C3=C4C=CC=CC4=CC=C3~   10.936
26740 O=C(NC1=C2C=CC=CC2=CC=C1)C3=CC4=C(C=CC=C4)C=C3~   10.936
26741 O=C(NC1=CC2=C(C=CC=C2)C=C1)C3=CC4=C(C=CC=C4)C=C3~   10.936
26743 CC(=O)C1=CC(=NC2=C1C=CC=C2)C3=CC4=C(C=CC=C4)C=C3~   11.027
26744 OC1=C(C=NC2=CC3=C(C=CC=C3)C=C2)C4=C(C=CC=C4)C=C1~   10.011
26745 C1OC2=C(O1)C=C(C=C2)C=NC3=CC4=C(C=C3)C5=CC=CC=C5C4~    8.450
26746 OC1=CC2=C(C=CC=C2)C=C1C(=O)NC3=C4C=CC=CC4=CC=C3~   11.815
26748 OC1=CC2=C(C=CC=C2)C=C1C(=O)NC3=CC4=C(C=CC=C4)C=C3~   11.815
26750 O=C(N(C(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3~   11.842
26752 CC1=CC(=C(NC2=C3C(=O)C4=CC=CC=C4C(=O)C3=C(O)C=C2)C=C1)S(O)(=O)=O~   19.378
26753 C1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC=CN=C3)C4=CC=CN=C4~   14.262
26755 CC(=O)NC1=CC=C(C=C1)N=C2C3=CC=CC=C3C4=CC=C(C=C24)[N+]([O-])=O~   13.903
26756 OC1=C(N=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(O)(=O)=O)C(=C4C=CC=CC4=N1)O~   25.587
26757 C1C2=C(C=CC=C2)C(=C1C3=CC=CC=C3)C4=CC=CC=C4~    5.498
26758 CC1=C2CCC3=C2C(=CC4=C3C=CC5=C4C=CC=C5)C=C1~    5.527
26759 C1=CC=C(C=C1)C#CC(C2=CC=CC=C2)C3=CC=CC=C3~    5.287
26760 N1C2=C(C=CC=C2)N=C(C=C1C3=CC=CC=C3)C4=CC=CC=C4~    8.506
26761 NC(=N)C1=CC=C(C=C1)C=C2C3=C(C=CC=C3)C4=CC=CC=C24~   11.182
26762 CC(=O)NC1=CC=C(C=C1)N=C2C3=C(C=CC=C3)C4=CC=CC=C24~   11.499
26763 CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=NC4=CC=CC=C4~   11.499
26764 COC1=CC=C(C=C1)C2=C3C=CC=CC3=C(N=N2)C4=CC=CC=C4~   10.010
26767 OS(=O)(=O)C1=CC(=C2C=C(NC(=O)NC3=CC4=C(C=C3)C=C(C=C4S(O)(=O)=O)S(O)(=O)=O)C=CC2=C1)S(O)(=O)=O~   37.298
26768 CCC1=CC=C(C=C1)N=C2C3=CC=CC=C3C4=CC=C(C=C24)[N+]([O-])=O~    7.796
26769 COC1=CC(=C2C(=O)C3=CC=CC=C3C(=O)C2=C1N)NC4=CC=CC=C4~   16.886
26770 CC1=CC=CC2=C1OC3=C(C=CC=C3)[CH]2NC(=O)C4=CC=C(C=C4)[N+]([O-])=O~   13.863
26772 OC1=C2C=C(NC(=O)NC3=CC4=C(C=C3)C=C(C=C4O)S(O)(=O)=O)C=CC2=CC(=C1)S(O)(=O)=O~   32.602
26773 OC1=C2C=CC(=CC2=CC(=C1)S(O)(=O)=O)NC(=O)NC3=CC4=C(C=C3)C(=CC(=C4)S(O)(=O)=O)O~   32.602
26774 CC1=CC(=NNC2=CC=C(C=N2)[N+]([O-])=O)C3=C(C=CC=C3)C1=NNC4=CC=C(C=N4)[N+]([O-])=O~   21.048
26778 COC1=C2[CH]3C4=CC=CC=C4[C]3(C5=CC=CC=C5)C2=CC=C1~    6.388
26779 COC1=CC2=C(C=C1)[CH]3C4=CC=CC=C4[C]23C5=CC=CC=C5~    6.388
26780 O=C(C=CC1=CC=CC=C1)C2=CC=C(SC3=CC=CC=C3)C=C2~    8.870
26781 OC1=C(CC2=C3C=CC=CC3=CC=C2O)C4=CC=CC=C4C=C1~   13.305
26783 O=C(C1=CC=CC=C1)[C]2(O[CH]2C3=CC=CC=C3)C4=CC=CC=C4~    9.131
26784 O=C(OC1=CC=CC=C1)C=C(C2=CC=CC=C2)C3=CC=CC=C3~    7.164
26785 O=C(C=CC1=CC=CC=C1)C2=CC=C(OC3=CC=CC=C3)C=C2~    8.295
26786 COC1=C(C=CC=C1)C(=O)C2=C(C=CC=C2)C(=O)C3=CC=CC=C3~   10.383
26787 COC1=C(C=CC=C1)C2(O)C3=C(C=CC=C3)C(=O)C4=C2C=CC=C4~   12.863
26788 COC1=CC=C(C=C1)C2(O)C3=C(C=CC=C3)C(=O)C4=C2C=CC=C4~   12.863
26790 C[CH](C(C(O)=O)C(O)=O)C1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34~   15.049
26791 O=C1C(CCC1=CC2=CC3=C(OCO3)C=C2)=CC4=CC5=C(OCO5)C=C4~   13.394
26792 COC1=CC=CC(=C1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3~    8.742
26793 CC(=O)O[C]12C3C4=C(C=CC=C4)C(C5=C3C=CC=C5)[C]1(C)C(=O)OC2=O~    9.265
26794 N#C[CH](C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~    7.672
26795 N#CC(CC1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3~    7.672
26797 C1CCC2=C(C1)C3=CC=CC=C3C4=NC5=CC=CC=C5C=C24~    8.207
26798 O=C1[CH](C2=CC=CC=C2)C3=CC=CC=C3N1CC4=CC=CC=C4~    9.520
26799 COC1=CC=C(C=C1)C=NC2=CC3=C(C=C2)C4=CC=CC=C4C3~    6.742
26800 O=C(C[N+]1=CC2=CC=CC=C2C=C1)C3=C4C=CC=CC4=CC=C3~   15.719
26801 O=C(C[N+]1=C2C=CC=CC2=CC=C1)C3=CC4=C(C=CC=C4)C=C3~   15.719
26802 O=C(C[N+]1=CC2=CC=CC=C2C=C1)C3=CC4=C(C=CC=C4)C=C3~   15.719
26804 O=C(C[N+]1=CC=CC=C1)C2=CC3=C4C=CC=CC4=CC=C3C=C2~   15.719
26805 OC1=C(CNC2=CC3=C(C=CC=C3)C=C2)C4=CC=CC=C4C=C1~   12.475
26807 O=C(C1=CC=CC=C1)C(=NOCC2=CC=CC=C2)C3=CC=CC=C3~    7.611
26808 COC1=CC(=CC=C1O)C=NC2=CC3=C(C=C2)C4=CC=CC=C4C3~   10.726
26809 [O-][N+]1=C([CH]([CH](O1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4~   13.456
26810 O[CH](C(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2)C4=CC=CC=C4~   11.618
26811 O=C(CC1=CC=CC=C1)NC2C3=C(OC4=C2C=CC=C4)C=CC=C3~   11.893
26813 CC1=C(C=CC=C1)C(=O)NC2C3=C(OC4=C2C=CC=C4)C=CC=C3~   11.460
26814 CC1=CC=CC2=C1OC3=C(C=CC=C3)[CH]2NC(=O)C4=CC=CC=C4~   11.460
26815 CC1=CC=C(C=C1)C(=O)NC2C3=C(OC4=C2C=CC=C4)C=CC=C3~   11.460
26816 OC1=CC=CC2=CC=C[N+](=C12)CC(=O)C3=CC4=C(C=CC=C4)C=C3~   19.701
26817 CC1=CC=CC(=N1)C=C(OC(=O)C2=CC=CC=C2)C3=CC=CC=C3~    9.175
26819 OC(=O)C1=CC(=CC=C1)N[CH](C(=O)C2=CC=CC=C2)C3=CC=CC=C3~   13.745
26820 OC(=O)[CH](C1=CC=CC=C1)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3~   13.719
26824 COC1=CC(=CC(=C1OC)OC)C2=C3C(=O)OCC3=NC4=C2C=C5OCOC5=C4~   16.523
26826 CC1=NC2=C(C=CC=C2)C(=O)N1C3=CC=C(C=C3)C4=CC=C(N)C=C4~   13.169
26827 COC1=C(NC(=O)NC2=C3N=C4C=CC=CC4=CC3=CC=C2)C=CC=C1~   16.086
26829 NC1=C2C=CC=CC2=C(C=C1N=NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4)S(O)(=O)=O~   22.873
26830 C1=CC=C(C=C1)C=CC(C2=CC=CC=C2)C3=CC=CC=C3~    4.550
26832 N1[CH]([CH](N=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4~    9.595
26833 CN(C)C1=CC2=C(C=C1)C3=CC=CC=C3C2=NC4=CC=CC=C4~    7.357
26835 CN(CCC1=CC=CC=N1)C2=CC3=C(C=C2)C4=CC=CC=C4C3=O~   11.821
26836 CCOC1=CC=C(NC2=C3C=CC=CC3=NC4=C2C=CC=C4)C=C1~   11.987
26838 CC1=CC(=C(NC(=O)C2=CC=CC=C2)C=C1)NC(=O)C3=CC=CC=C3~   12.314
26839 NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N=CC=CC3=CC=CC=C3~   11.932
26840 CCOC(=O)[CH](C#N)[CH]1C=CC2=C(C=CC=C2)N1C(=O)C3=CC=CC=C3~   13.936
26841 COC1=CC(=C(NC(=O)C2=CC=CC=C2)C=C1)NC(=O)C3=CC=CC=C3~   13.585
26842 CC1=CC=C(C)N1C2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)[N+]([O-])=O~   14.167
26843 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2C3=C(OC4=C2C=CC=C4)C=CC=C3~   15.163
26844 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N=CC3=C(O)C=CC=C3~   18.265
26846 OC(=O)C=CC(=O)NC1=CC=C(CC2=CC=C(NC(=O)C=CC(O)=O)C=C2)C=C1~   23.216
26847 CC(=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C2=CC=C(CC3=CC=CC=C3)C=C2~   10.780
26848 N(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=CC=CC=C3)NC4=CC=CC=C4~   13.498
26850 O=C(C=CC=CC1=CC=CC=C1)C=CC=CC2=CC=CC=C2~    7.356
26851 O=C(CC(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~    7.071
26853 CC(C)CC(=O)C1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34~    7.451
26857 COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3~    7.035
26858 O=C1OC(=CC1=CC2=CC=CC=C2)C3=CC4=C(CCCC4)C=C3~    6.234
26859 O[C]1(C[CH](C2=CC=CC=C2)C3=CC=CC=C3O1)C4=CC=CC=C4~   10.309
26860 COC1=CC=C(C=C1)[CH](C(=O)C2=CC=CC=C2)C3=CC=CC=C3~    8.423
26861 O=CC1=CC(=C(OCC2=CC=CC=C2)C=C1)OCC3=CC=CC=C3~    9.514
26862 OC(=O)[CH](C1=CC=CC=C1)C(O)(C2=CC=CC=C2)C3=CC=CC=C3~   13.854
26864 COC1=C(C=CC=C1)C2=COC3=C4C=C(OC4=CC=C3C2=O)C(C)C~    9.393
26865 CC1=CC(=CC=C1O)C2(OS(=O)(=O)C3=CC=CC=C23)C4=CC=C(O)C(=C4)C~   16.595
26866 CC1=C(C=CC(=C1)O)C2(OS(=O)(=O)C3=C2C=CC=C3)C4=C(C)C=C(O)C=C4~   16.595
26868 COC1=CC=C(C=C1)C2=C(OC)C(=O)C3=C(OC(C)=O)C=C(OC(C)=O)C=C3O2~   12.693
26869 CN(C=C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~    6.521
26870 N[CH](CC1=CC=CC=C1)C2=CC3=C(C=C2)C4=CC=CC=C4C3~    8.690
26872 CC1=CC=C(N[CH](C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C=C1~    9.004
26874 C[CH](C1=CC=CC=C1)C2=CC=C(NC(=O)C3=CC=CC=C3)C=C2~    9.842
26875 O=C([CH](NCC1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~    9.541
26876 O=C(CCCC1=CC=CC=N1)C2=CC=C(C=C2)C3=CC=CC=C3~    9.854
26877 OC1=CC2=C(C=CC=C2)C=C1C(=O)NC3=C4CCCCC4=CC=C3~   10.830
26878 COC1=CC=C(C=C1)[CH](NC2=CC=CC=C2)C(=O)C3=CC=CC=C3~   10.275
26882 CN(C1C2=C(OC3=C1C=CC=C3)C=CC=C2)S(=O)(=O)C4=CC=C(C)C=C4~    8.839
26884 CC1=CC(=C(C)C=C1)S(=O)(=O)NC2C3=C(OC4=C2C=CC=C4)C=CC=C3~    9.136
26886 CCOC(=O)C1=C2C(=CC=C1)N=CC(=C2C3=CC=CC=C3)C(=O)OCC~   11.412
26887 COC1=C(OC)C2=C[N+](=C3C(=C2C=C1)C=CC4=C3C=C5OCOC5=C4)C~   18.245
26888 OC(=O)[CH]1CCCC[CH]1C(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4C3=O~   16.979
26889 CN(C)C1=CC=C(NC2=C3C=CC=CC3=NC4=C2C=CC=C4)C=C1~   12.682
26890 CC1=C(C=CC=C1)C(C2=CC=CC=C2)C3=C(C)C=CC=C3~    4.326
26892 CC(C)CCC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34~    4.547
26894 N=C(N(CC1=CC=CC=C1)CC2=CC=CC=C2)C3=CC=CC=C3~    9.240
26895 CC1=CC=C(NC(=N)C(C2=CC=CC=C2)C3=CC=CC=C3)C=C1~    8.921
26896 CN(CCC1=CC=CC=N1)C2=CC3=C(C=C2)C4=CC=CC=C4C3~    9.428
26897 O=C(NN(CC1=CC=CC=C1)CC2=CC=CC=C2)C3=CC=CC=C3~   12.536
26898 S=C(CC1=C2C=CC=CC2=NC(=C1)C3=CC=CC=C3)N4CCOCC4~   12.772
26899 O=C(NCCOC(=O)NC1=C2C=CC=CC2=CC=C1)OCC3=CC=CC=C3~   12.370
26900 CC1=C(C=CC=C1)N=NC2=CC(=C(C=C2)N=NC3=CC(=C(O)C=C3)C)C~   11.251
26901 CN1C(=O)N(C)C2=C(N(C)C(=N2)C(C3=CC=CC=C3)C4=CC=CC=C4)C1=O~   12.590
26902 CN1C(=O)N(C)C2=C(N(C)C(=N2)C(O)(C3=CC=CC=C3)C4=CC=CC=C4)C1=O~   17.026
26904 CC1=CC=C(SCCN2C=NC3=C(N=CN3CC4=CC=CC=C4)C2=S)C=C1~   12.274
26905 CC1=CC=C(SCCN2C=NC3=C(N(CC4=CC=CC=C4)C=N3)C2=S)C=C1~   12.274
26906 CC1=CC(=C2C=C(NC(=O)NC3=CC4=C(C=C3)N=C(C)C=C4N)C=CC2=N1)N~   24.559
26907 CC1=CC=CC(=C1NC(=O)NNC(=O)C2=CC=NC=C2)NC(=O)NNC(=O)C3=CC=NC=C3~   37.190
26908 CC([CH](O)C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3~    8.602
26909 OC(CC1=CC=CC=C1)(CC2=CC=CC=C2)C3=CC=CC=C3~    8.602
26911 CC1=CC=C(C=C1)C(O)(C2=CC=CC=C2)C3=CC=C(C)C=C3~    8.762
26912 CO[C](C)(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=CC=C3~    6.242
26913 OC[CH]1O[CH](OC2=CC(=C3C(=O)C(=COC3=C2)C4=CC=C(O)C=C4)O)[CH](O)[CH](O)[CH]1O~   24.979
26914 C[CH]1O[CH](OC2=C(OC3=C(C(=CC(=C3)O)O)C2=O)C4=CC(=C(O)C=C4)O)[CH](O)[CH](O)[CH]1O~   29.762
26915 C[CH]1O[CH](OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(O)C(=C4)O)O)[CH](O)[CH](O)[CH]1O~   33.745
26916 CCOC(=O)[CH]1[CH](CC(=CC1=O)C2=CC=CC=C2)C3=CC=CC=C3~    9.562
26917 COC1=CC=C(C=C1)C=C2CCC(=CC3=CC=C(OC)C=C3)C2=O~    9.979
26918 COC1=C(C=CC=C1)C(O)(C2=CC=CC=C2)C3=C(OC)C=CC=C3~   11.305
26919 COC(=O)[CH]1C2C3=C(C=CC=C3)C(C4=C2C=CC=C4)[C]1(C)C(=O)OC~    8.943
26921 CCOC(=O)C1=CC(=O)C2=C(O1)C=C(OCC3=CC=CC=C3)C(=C2)CC~   10.100
26922 COC1=CC(=CC=C1O)C=CC(=O)CC(=O)C=CC2=CC(=C(O)C=C2)OC~   21.152
26923 COC1=CC(=CC=C1OC(C)=O)C=CC(=O)C2=CC(=C(OC(C)=O)C=C2)OC~   12.932
26925 COC1=CC(=CC(=C1O)OC)[CH]2[CH]3[CH](COC3=O)CC4=C(O)C5=C(OCO5)C=C24~   19.721
26926 CCOC(=O)C(OC(=O)C1=CC=CC=C1)(OC(=O)C2=CC=CC=C2)C(=O)OCC~   11.936
26927 CCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3~    6.260
26931 C(N[CH](CC1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~    7.936
26932 CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3~    6.210
26934 CN(CCC(=O)C1=C2C=CC=CC2=CC=C1)CC3=CC=CC=C3~   10.293
26935 CN(CCC(=O)C1=CC2=C(C=CC=C2)C=C1)CC3=CC=CC=C3~   10.293
26936 OC(CNCC1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3~   12.372
26937 CC[C](O)([CH](C1=CC=CC=C1)C2=CC=CC=N2)C3=CC=CC=C3~   11.363
26938 COC1=CC=C(C=C1)[CH](CC2=CC=CC=C2)NC3=CC=CC=C3~    8.670
26939 O=C(C[N+]1=CC=CC=C1)C2=C3C=CC=CC3=C4CCCCC4=C2~   14.733
26941 OC1=CC(=C(C=C1)[CH](CC2=CC=CC=C2)NCC3=CC=CC=C3)O~   15.900
26942 CC(C)C1=C(OC(=O)NC2=C3C=CC=CC3=CC=C2)C=C(C)C=C1~    8.772
26943 CC(C)C1=CC=C(C)C(=C1O)N=CC2=C(O)C=CC3=C2C=CC=C3~   12.652
26944 O=C1C2=CC=CC=C2C(=O)C3=C(OCCN4CCCCC4)C=CC=C13~   12.893
26945 OC(=O)[CH]1CCCC[CH]1C(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4C3~   14.587
26946 CCOC(=O)[C]1(CC)[CH](N(C(=O)C1=O)C2=CC=CC=C2)C3=CC=CC=C3~   13.001
26948 CO[CH]1O[CH]2CO[CH](O[CH]2[CH]3OC(=S)N([CH]13)C4=CC=CC=C4)C5=CC=CC=C5~   14.733
26949 COC1=CC2=C(C=C1OC)[CH]([CH]3OC(=O)C4=C3C=CC5=C4OCO5)N(C)CC2~   14.873
26950 COC1=CC2=NC(=CC(=C2C=C1OC)C3=CC(=C(OC)C(=C3)OC)OC)C(O)=O~   18.113
26951 C1N(CN(CN1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4~    2.914
26952 CC1=CC=C(C=C1)N=C(NN)C(C2=CC=CC=C2)C3=CC=CC=C3~   11.301
26953 O=NN(CC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3~   11.003
26954 CCOC1=C(C=CC=C1)C=CC(=O)NC2=CC3=C(N)C=C(C)N=C3C=C2~   18.244
26955 CCOC(=O)C(CCC1=CC=C(C=C1)[N+]([O-])=O)(CCC2=CC=C(C=C2)[N+]([O-])=O)C#N~   13.517
26956 OC(=O)CC1OCC=C2CN3CCC45C3CC2C1C4NC6=C(C(=O)C(=O)C=C56)[N+]([O-])=O~   24.613
26959 CCN(CC)C1=CC=C(C=C1)C=CC2=C3C=CC=CC3=NC=C2~    9.354
26960 CN(C)C1=CC=C(C=CC2=CC(=C3C=C(C)C=CC3=N2)C)C=C1~    9.514
26961 CCN(CC)C1=CC=C(C=CC2=NC3=C(C=CC=C3)C=C2)C=C1~    9.354
26962 CN(C)[CH]1C2=C(N=C3C=CC=CC3=C2)C4=CC=CC=C4C1(C)C~   10.606
26963 C(C[N+]1=CC=CC2=C1C=CC=C2)C[N+]3=C4C=CC=CC4=CC=C3~   14.287
26964 C(C[N+]1=CC2=C(C=CC=C2)C=C1)C[N+]3=CC4=CC=CC=C4C=C3~   14.287
26965 OC(C[N+]1=CC2=CC=CC=C2C=C1)C[N+]3=CC4=CC=CC=C4C=C3~   18.724
26967 C(CN(CC1=CC=CC=C1)CC2=CC=CC=C2)OC3=CC=CC=N3~   10.788
26968 O=C1C[CH]2OCC=C3CN4CC[C]56[CH]4C[CH]3[CH]2[CH]5N1C7=C6C=CC=C7~   13.225
26969 CC(C)C1=C(O)C=C(C)C(=C1)NC(=O)NC2=C3C=CC=CC3=CC=C2~   14.616
26970 COC(=O)C1=CO[CH](C)[CH]2C[N+]3=CC=C4C(=C3C[CH]12)NC5=CC=CC=C45~   18.028
26971 [O-][N+](=O)C1=C(C=CC=C1)[CH]2[CH](N2C3CCCCC3)C(=O)C4=CC=CC=C4~   10.606
26972 OCCN1CCO[C](O)(C1)C2=C3C=CC=CC3=NC(=C2)C4=CC=CC=C4~   18.453
26973 [O-][N+]12CCC34C1CC5C6C(CC(=O)N(C36)C7=C4C=CC=C7)OCC=C5C2~   20.321
26974 CC(C)(C1=CC=C(OC(=O)N2CC2)C=C1)C3=CC=C(OC(=O)N4CC4)C=C3~   10.350
26975 CCN(CC)C1=CC=C(C=C1)C=NC2=CC3=CC(=CC(=C3C=C2)O)S(O)(=O)=O~   16.883
26976 CC1=C(NS(=O)(=O)C2=CC=CC=C2)C(=C(NS(=O)(=O)C3=CC=CC=C3)C(=C1)C)C~   10.870
26977 COC(=O)C(CCC1=CC=C(C=C1)[N+]([O-])=O)(CCC2=CC=C(C=C2)[N+]([O-])=O)C(C)=O~   13.429
26980 CN(C)CCCN1C2=C(SC3=C1C=CC4=C3C=CC=C4)C=CC=C2~   10.313
26981 CN(C)CCCN1C2=C(SC3=CC=C4C=CC=CC4=C13)C=CC=C2~   10.313
26983 CC[CH]1C(=O)C(=C(C2=CC=CC=C2)[C]1(O)C3=CC=CC=C3)CC~   11.058
26985 CCOC(=O)[CH]([CH](CC(=O)C1=CC=CC=C1)C2=CC=CC=C2)C(C)=O~   11.527
26986 CCOC(=O)C(C(=O)OCC)C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~   11.491
26987 CCOC(=O)C=C(C1=CC2=C(OCO2)C=C1)C3=CC(=C(OC)C(=C3)OC)OC~   13.228
26989 C[N+]1=C(C=CC=CC2=CC=CC=C2)C(C)(C)C3=C1C=CC=C3~   12.252
26990 CCN(CC)CCC(=O)C1=CC2=C3C=CC=CC3=CC=C2C=C1~    9.967
26991 CN(C)CCOC1=C2C=CC=CC2=CC=C1CC3=CC=CC=C3~    8.740
26992 CCOC1=CC=C2C=CC=CC2=C1[CH](CC3=CC=CC=C3)NC~    8.959
26993 C=CCN(CC=C)[CH](C(=O)CC1=CC=CC=C1)C2=CC=CC=C2~    8.259
26995 CC(=O)C1=CC2=C(C=C1C(C)=O)[C]3(C)CCC[C](C)(C#N)[CH]3CC2=O~   13.678
26996 CC1=CC=CC2=C1OC3=C(C=CC=C3)[CH]2NC(=O)OC4CCCCC4~    9.947
26998 CN1CC[C](OC(C)=O)([CH](C1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3~   12.016
27001 COC1=C(OC)C(=C2C(=C1)CC[CH](NC(C)=O)C3=CC(=O)C(=CC=C23)O)OC~   16.472
27003 CC1=CC(=CC(=[N+]1CC2=CC=CC=C2)C)SCC3=CC=CC=C3~   13.458
27004 C(CC1=CC=CC=C1)SC2=[N+](CCC3=CC=CC=C3)C=CC=C2~   11.708
27005 CCN(CC)C1=CC=C(C=C1)C=NC2=C3C=C(OC)C=CC3=NC=C2~   10.682
27007 N#CC(CCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3~    9.745
27009 N#CC(CCCN1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3~   11.801
27010 C[CH](CN1CCOCC1)C(C#N)(C2=CC=CC=C2)C3=CC=CC=C3~   11.801
27012 CCN(CC)CC#CCOC1=CC=C(C=C1)C=CC2=CC=CC=N2~   11.914
27013 CN(C)CCO[C](C)(C1=CC=CC=C1)C2=NC3=C(C=CC=C3)C=C2~   12.203
27014 CN(C)C1=CC=C(C=C1)C(C2=CC=CO2)C3=CC=C(C=C3)N(C)C~    8.010
27016 CCN(CC)C1=CC=C(C=CC(=O)C2=CC=C(NC(C)=O)C=C2)C=C1~   14.129
27018 OCCN(CCO)C[CH](O)C1=C2C=CC=CC2=NC(=C1)C3=CC=CC=C3~   17.480
27020 COC(=O)C(NC(=O)C1=CC=CC=C1)=CC2=CC=C(C=C2)N(CCO)CCO~   18.370
27021 OC(=O)[CH](CSCC1=CC=CC=C1)NC(=O)CCNC(=O)OCC2=CC=CC=C2~   18.078
27022 CN(C)C1=CC=C(C=C1)C(C2=CC=CS2)C3=CC=C(C=C3)N(C)C~    8.274
27023 CC1=C(NC(=O)N2CC2)C=CC(=C1)CC3=CC=C(NC(=O)N4CC4)C(=C3)C~   20.633
27025 CC1=C(C=C(C=C1)N=NC2=C(N)C=C(N)C(=C2)C)N=NC3=C(N)C=C(N)C(=C3)C~   21.075
27026 CC(C)(C)[CH](CC(=O)C=CC1=CC=CC=C1)C2=CC=CC=C2~    6.410
27027 OC[CH]1O[CH](OC2=C(C(=O)CCC3=CC=C(O)C=C3)C(=CC(=C2)O)O)[CH](O)[CH](O)[CH]1O~   27.498
27028 CC1=CC(=C(C=C1)C(=O)CCCC(=O)C2=C(C)C=C(C)C=C2)C~    8.466
27031 C[CH]1CC(=C([CH](C2=CC=CC=C2)C3=C(O)C[CH](C)CC3=O)C(=O)C1)O~   12.640
27032 CC1=C(O)C(=CC(=C1)C(=O)CCCC(=O)C2=CC(=C(O)C(=C2)C)C)C~   16.432
27034 CO[CH]1O[CH]2CO[CH](O[CH]2[CH](SCC3=CC=CC=C3)[CH]1O)C4=CC=CC=C4~   17.996
27035 CO[CH]1O[CH]2CO[CH](O[CH]2[CH](O)[CH]1SCC3=CC=CC=C3)C4=CC=CC=C4~   17.996
27036 OC(=O)C(CCCOC1=CC=CC=C1)(CCCOC2=CC=CC=C2)C(O)=O~   15.379
27037 COC1=CC(=CC=C1O)C[CH]2[CH](COC2=O)CC3=CC=C(OC)C(=C3)OC~   13.595
27038 O[CH]1CO[CH](O[CH]1[CH](O)[CH]2O[CH](OC[CH]2O)C3=CC=CC=C3)C4=CC=CC=C4~   17.876
27039 CCOC(=O)C[CH](C1=CC2=C(OCO2)C=C1)C3=CC(=C(OC)C(=C3)OC)OC~   12.314
27041 COC1=C(O)C=C(C=C1)C=CC2=CC(=CC(=C2)O)O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O~   25.772
27042 CCN(CC)CC[CH](O)C1=C2C=CC=CC2=C3C=CC=CC3=C1~   11.496
27043 O=C(CCN1CCCCC1)C(C2=CC=CC=C2)C3=CC=CC=C3~    9.660
27045 CCCCCCCCC(=O)N1C2=C(SC3=C1C=CC=C3)C=CC=C2~    8.214
27046 CCCCCCCSC(=S)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2~    6.726
27047 CCN1CCC[CH](C1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3~    9.110
27048 O=C(OCCCN1CCCC1)C(C2=CC=CC=C2)C3=CC=CC=C3~    9.110
27049 C[CH](COC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3~    9.110
27050 C[CH](CN1CCCC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3~    9.110
27056 O=C(CCN1CCCCC1)C2=CC=C(OCC3=CC=CC=C3)C=C2~   10.498
27057 CCN(CC)CCOC(=O)C1C2=C(CC3=C1C=CC=C3)C=CC=C2~    9.271
27058 C1CCC(CC1)N[CH](CC2=CC=CC=C2)C3=CC=C4OCOC4=C3~    9.517
27064 OC(C(=O)OCCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3~    9.917
27065 CCCCCCCOC(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2~    9.511
27066 CC(=O)OC1=CC=C2C=CC=CC2=C1CN(C3CCCCC3)C(C)=O~   11.032
27069 COC1=CC2=C(C=C1OC)[CH]3CC4=C(CN3CC2)C=C(OC)C(=C4)OC~   12.161
27070 COC1=C(OC)C=C2C(=C1)C[CH]3N(C)CCC4=C3C2=C(OC)C(=C4)OC~   12.183
27071 COC1=CC2=C(C=C1OC)[CH]3CC4=CC=C(OC)C(=C4CN3CC2)OC~   12.161
27072 CN[CH]1CCC2=CC(=C(OC)C(=C2C3=CC=C(OC)C(=O)C=C13)OC)OC~   13.917
27073 CCOC(OCC)[CH](NC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C(O)=O~   16.418
27074 COC1=CC=C(C=C1)[C](O)(CCN2CCOCC2)C3=CC4=C(OCO4)C=C3~   17.141
27075 CCN(CC)C1=CC=C(CNC2=CC(=NC3=CC=CC=C23)C)C=C1~   11.876
27076 C1CCN(CC1)CCOC2=NN(CC3=CC=CC=C3)C4=C2C=CC=C4~   10.604
27077 CCN(CC)CC1=C(O)C=CC(=C1)NC2=C3C=C(OC)C=CC3=NC=C2~   18.099
27078 N[N+]12CC[C]34[CH]1C[CH]5[CH]6[CH](CC(=O)N([CH]36)C7=C4C=CC=C7)OCC=C5C2~   24.087
27079 NC1=NC2=C(C[CH](CC2)CNC3=CC=C(C=C3)C(=O)N[CH](CCC(O)=O)C(O)=O)C(=N1)O~   28.321
27081 CCN(CC)[CH](C)CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2~    9.390
27082 C=CCN1CCN(CC1)[CH](CC2=CC=CC=C2)C3=CC=CC=C3~    9.921
27083 CN(C)C1=CC=C(C=C1)C=CC2=[N+](C)C3=C(C=CC=C3)C2(C)C~   14.152
27084 NC(=O)C(CCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3~   13.182
27085 N=C(OC1CCCCC1)N(CC2=CC=CC=C2)CC3=CC=CC=C3~    9.818
27086 CCN(CC)CCCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1~   13.169
27087 CCN(CC)C[CH](C)NC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1~   13.169
27088 CCN(CC)CCNC1=C2C(=O)C3=CC=C(C)C=C3SC2=C(C)C=C1~   13.249
27090 CCCN(CCC)CC(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2~   12.312
27091 CCN(CC)C[CH](O)CNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1~   17.606
27094 CN1CCN(CCOC(=O)C(O)(C2=CC=CC=C2)C3=CC=CC=C3)CC1~   13.467
27095 CCN(CC)CCOC(=O)[CH](C(=O)NC1=CC=CC=C1)C2=CC=CC=C2~   14.860
27096 OC1=CC(=C(O)C=C1CNC2CCCCC2)CN3COC4=C3C=CC=C4~   16.876
27097 CCN(CCO)CCNC1=C2C(=O)C3=CC=C(OC)C=C3SC2=C(C)C=C1~   18.959
27099 CCOC(=O)C1=NC(=CC2=C(C)C(=C(C)N2)C(=O)OCC)C(=C1C)C(=O)OCC~   12.064
27100 CC(C)C1=CC=C(C=C1)C=NNC(=O)NN=CC2=CC=C(C=C2)C(C)C~   10.191
27102 COC1=CC2=NC3=C(C=CC(=C3)[N+]([O-])=O)C(=C2C=C1OC)NCCNCC(C)(C)O~   22.733
27103 CC(C)C1=CC=C(C=C1)C=NNC(=S)NN=CC2=CC=C(C=C2)C(C)C~    7.554
27104 CC(=O)OC[CH]1O[CH](OC2=C(C)C=CC=C2)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O~   16.642
27105 CC(=O)O[CH]1O[CH](COS(=O)(=O)C2=CC=C(C)C=C2)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O~   19.240
27107 CCC(=O)OC1=C(C=C(C=C1)C(C)(C)C)[CH](C)C2=CC=CC=C2~    4.580
27108 CC1=CC(=CC2=C1[CH]3CC[C]4(C)[CH](CC[C]4(O)C#C)[CH]3CC2)O~   11.057
27110 CC(=O)O[CH]1CC[CH]2[CH]3C=CC4=CC(=O)C=C[C]4(C)[CH]3CC[C]12C~    7.112
27111 CC[CH](C)C1=C(OC[CH](C)OC(=O)CC2=CC=CC=C2)C=CC=C1~    6.554
27113 C[CH](COC1=CC=C(C=C1)C(C)(C)C)OC(=O)CC2=CC=CC=C2~    6.554
27116 CC(=O)C12OC1CC3C4CCC5=CC(=O)CCC5(C)C46OC6CC23C~   11.658
27119 CC(=O)[CH]1CC[CH]2[CH]3CC(=O)C4=CC(=O)CC[C]4(C)[CH]3C(=O)C[C]12C~   14.298
27121 C[C]12CC(=O)[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CC[C]2(O)C(=O)CO~    9.548
27122 C[C]12C[CH](O)[CH]3[CH](C=CC4=CC(=O)C=C[C]34C)[CH]1CC[C]2(O)C(=O)CO~    7.712
27123 C[N+]1(C)CCCC[CH]1C=C(C2=CC=CC=C2)C3=CC=CC=C3~   15.146
27124 C[CH]1CCCN(C1)[CH](CC2=CC=CC=C2)C3=CC=C(C)C=C3~    6.321
27126 CCC(=O)C([CH](C)CN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2~    9.304
27127 C[CH]1CCCCN1CCOC2=C(CC3=CC=CC=C3)C=CC=C2~    7.592
27132 CN(C)CC[C](CCC1=CC=CC=C1)(C(C)=O)C2=CC=CC=C2~    9.304
27133 CCC(C(=O)[CH](C)CN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2~    9.304
27135 OC(CCCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3~   10.678
27136 CC(C)N1CC[CH](C1)CC(O)(C2=CC=CC=C2)C3=CC=CC=C3~   10.678
27138 OCC[CH]1CCCCN1[CH](CC2=CC=CC=C2)C3=CC=CC=C3~   10.678
27139 CC[C](O)([CH](N1CCCCC1)C2=CC=CC=C2)C3=CC=CC=C3~   10.678
27140 C[CH](CC(CCC(O)=O)(C1=CC=CC=C1)C2=CC=CC=C2)N(C)C~   11.137
27142 C[CH]([CH](O)C1=C2C=CC=CC2=C3CCCCC3=C1)N4CCOCC4~   12.921
27144 COC1=CC=C(C=C1)[C](O)(CNC2CCCCC2)C3=CC=CC=C3~   12.247
27147 OCCOC1=CC=C(C=C1)[CH](CC2=CC=CC=C2)N3CCCCC3~   12.029
27149 COC1=CC=C(C=C1)[C](C)(O)[CH]([CH]2CCCCN2)C3=CC=CC=C3~   12.247
27150 O=S(=O)(CCCN1CCCCC1)C(C2=CC=CC=C2)C3=CC=CC=C3~   10.435
27151 C[N+]1(C)CCC[CH](C1)OC(=O)C(O)(C2=CC=CC=C2)C3=CC=CC=C3~   18.182
27152 CCN(CC)CCOC(=O)C(OC)(C1=CC=CC=C1)C2=CC=CC=C2~    9.959
27153 CCCOC(C(=O)OCCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2~    9.959
27154 CC(C)OC(C(=O)OCCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2~    9.959
27155 CCN(CC)CCOC(=O)[C](O)(CC1=CC=CC=C1)C2=CC=CC=C2~    9.561
27156 COC1=C(OCC2=CC=CC=C2)C=CC(=C1)CCNC(=O)CC(C)C~   11.759
27157 CCOC1=C(OCC)C=C(C=C1)C=NC2=C(C)C=C(O)C(=C2)C(C)C~    9.866
27159 COCCN(CCOC)[CH](C(=O)CC1=CC=CC=C1)C2=CC=CC=C2~   12.112
27162 COC1=CC(=CC(=C1OC)OC)[CH]2C3=C(CC[N+]2(C)C)C=C4OCOC4=C3~   21.697
27163 COC1=CC(=CC=C1)[CH](CCC2=CC(=C(OC)C(=C2)OC)OC)NC(C)=O~   14.462
27164 COC1=CC=C(C=C1)[CH](CCC2=CC(=C(OC)C(=C2)OC)OC)NC(C)=O~   14.462
27165 COC1=CC(=CC(=C1OC)OC)[C](O)(CCN(C)C)C2=CC3=C(OCO3)C=C2~   17.433
27169 CCN(CC)CCOC(=O)C1=CC=C(NC(=O)NC2=C(C)C=CC=C2)C=C1~   15.038
27172 C=CCN(CCNC1=C2C=CC=CC2=CC=C1)C3CCCCC3~    9.193
27173 CN(C)C1=CC=C(C=C1)[CH](CC2=CC=CC=C2)N3CCCCC3~    8.286
27175 O[CH]([CH]1CCCCN1)C2=C3C=CC=CC3=NC(=C2)C4CCCCC4~   13.764
27177 C[CH](CC(C(=O)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)N(C)C~   12.389
27178 CCN(CC)CCCNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~   12.607
27179 CC[N+](C)(CC)CC[C]1(C(=O)NC2=C1C=CC=C2)C3=CC=CC=C3~   20.693
27180 CCN(CC)C1=CC=C(C=C1)C=NC2=C(C)C=C(O)C(=C2)C(C)C~    9.210
27181 C[CH]1CN(CCCO)CCN1C(C2=CC=CC=C2)C3=CC=CC=C3~   14.228
27182 CC1=CC=C(C=C1)[CH](CC2=CC=CC=C2)NCCN3CCOCC3~   12.145
27183 CCN(CC)C(=O)C1CCN(CC1)CC2=CC3=C(C=CC=C3)C=C2~   12.417
27184 CC(C)(C)C1=CC=C(NC(=O)NC2=CC=C(C=C2)C(C)(C)C)C=C1~    9.130
27187 C[CH](CC(C(=O)NCCO)(C1=CC=CC=C1)C2=CC=CC=C2)N(C)C~   17.045
27188 C[CH](CC(C(=O)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)[N+](C)(C)[O-]~   19.485
27189 COC1=CC=C(C=C1)[CH](CC2=CC=CC=C2)NCCN3CCOCC3~   13.416
27190 CC(C)C1=CC(=C(C)C=C1O)NC(=S)NC2=CC(=C(O)C=C2C)C(C)C~   14.620
27191 COC1=C(OC)C=C(CCNC(=O)NCCC2=CC(=C(OC)C=C2)OC)C=C1~   15.607
27192 COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=CC=C(OCCN(C)C)C=C2~   17.500
27193 COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=C(OCCN(C)C)C=CC=C2~   17.500
27194 CCOC(=O)C1=C(C)C(=C(CC2=C(C)C(=C(C)N2)C(=O)OCC)N1)C(=O)OCC~   14.939
27195 CCOC(=O)C1=C(C)C(=C(CC2=C(C)NC(=C2C)OC(=O)CC)N1)OC(=O)CC~   14.399
27196 CCOC(=O)C1=C(C)C(=C(CC2=C(C(=C(C)N2)C)C(=O)OCC)N1)C(=O)OCC~   14.939
27198 C[CH]1CN(CCN1CSC2=CC=C(C)C=C2)CSC3=CC=C(C)C=C3~    7.770
27199 C1CCN(CC1)C2=NC(=C(CC3=CC=CC=C3)C=N2)N4CCCCC4~    6.606
27200 CC1=CC(C)(C)NC(=S)N1C2=CC(=C(C)C=C2)N3C(=CC(C)(C)NC3=S)C~    7.701
27201 CN1C(=O)N(C)C2=C(N=C(CCCCCCCC3=NC4=C(N3)N(C)C(=O)N(C)C4=O)N2)C1=O~   24.793
27202 CN1C(=O)N(C)C2=C(N(C)C(=N2)CCCCCC3=NC4=C(N3C)C(=O)N(C)C(=O)N4C)C1=O~   22.382
27204 C[C]12CCC(=O)C=C1CC[CH]3[CH]2CC[C]4(C)[CH]3CC[C]4(O)C#C~    9.114
27206 CC(=O)C1=CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C~    7.445
27207 CC(C)C1=CC(=CC=C1O)C(C)(C)C2=CC=C(O)C(=C2)C(C)C~   10.461
27209 C[C]12CC=C3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CCC2=CCO~    8.174
27212 COC(=O)[C]1(C)CCC[C]2(C)[CH]1CC(=O)C3=C2C=CC(=C3)C(C)C~    7.150
27214 C[C]12CCC(=O)C=C1CC[CH]3[CH]4CCC(=CC=O)[C]4(C)C[CH](O)[CH]23~   11.622
27215 CC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[CH]3CC[C]12C~    8.323
27216 CC(=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3C(=O)C[C]12C~   10.606
27217 CC(=O)[C]12O[CH]1C[CH]3[CH]4CCC5=CC(=O)CC[C]5(C)[CH]4CC[C]23C~    9.248
27218 C[C]12CC[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CC[CH]2C(=O)CO~    8.323
27219 C[C]12CC[CH]3[CH](CCC4=C3C=CC(=C4)OCC=C)[CH]1C[CH](O)[CH]2O~    9.003
27220 CC(=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3[CH]5O[CH]5[C]12C~   10.098
27222 C[C]12CC(=O)[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2C(=O)CO~   11.412
27224 CC(=O)[CH]1CC[CH]2[CH]3[CH](C(=O)C[C]12C)[C]4(C)CC[CH](O)CC4=CC3=O~   15.043
27225 C[C]12CCC(=O)C=C1C=C[CH]3[CH]2CC[C]4(C)[CH]3CC[C]4(O)C(=O)CO~    5.947
27226 CC1=C(C=CC(C)=CC=C(C(O)=O)C(C)=CC(O)=O)C(C)(C)CCC1~   10.352
27231 C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)CO)[C]4(C)CC(=O)[CH]23~    9.220
27232 C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CC[C]2(O)C(=O)CO~    7.567
27233 C[C]12CCC(=O)C=C1C=C[CH]3[CH]4CC[C](O)(C(=O)CO)[C]4(C)C[CH](O)[CH]23~    7.383
27235 C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)C=O)[C]4(C)C[CH](O)[CH]23~   11.695
27236 C[C]12C=CC(=O)C=C1CC[CH]3[CH]2CC[C]4(C)[C]3(O)CC[C]4(O)C(=O)CO~    7.567
27237 CC(=O)[C]1(O)CC[C]2(O)[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3C(=O)C[C]12C~   12.851
27238 C[C]12CCC(=O)C=C1[CH](O)C[CH]3[CH]4CC[C](O)(C(=O)CO)[C]4(C)CC(=O)[CH]23~   10.658
27239 CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCOS(=O)(=O)C2=CC=C(C)C=C2~   10.231
27240 CCOC(=O)CCCC(=O)C(CC1=CC=CC=C1)(C(=O)OCC)C(=O)OCC~   12.530
27241 C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)COS(O)(=O)=O)[C]4(C)CC(=O)[CH]23~   17.520
27242 CCCC[CH](CC)CNC(C1=CC=CC=C1)C2=CC=CC=C2~    6.103
27244 CCN(CC)[CH](C)[CH](O)C1=C2C=CC=CC2=C3CCCCC3=C1~   10.510
27245 CCN(CC)CC1=CC(=CC(=C1O)C2=CC=CC=C2)C(C)(C)C~    9.971
27246 CCCN(CCC)[CH](C)[CH](O)C1=C2C=CC=C3CCC(=C23)C=C1~    8.179
27247 CCC[CH](O)CN(C)CC1=C2C=CC=CC2=C3CCCCC3=C1~   10.510
27248 CCCCCCCN[CH]([CH](O)C1=CC=CC=C1)C2=CC=CC=C2~   10.541
27249 C[N+]1(C)CCCC[CH]1CC(O)(C2=CC=CC=C2)C3=CC=CC=C3~   18.943
27251 CCC[CH](O)[CH](CC)N[CH](CC1=CC=CC=C1)C2=CC=CC=C2~   10.541
27252 COC1=CC=C(C=C1)[CH](CC2=CC=CC=C2)[N+]3(C)CCCCC3~   15.857
27255 CC[CH](O)C(C[CH](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2~   10.322
27256 CC[CH]1CCCN1CCOC(=O)[CH]([CH]2CCC=C2)C3=CC=CC=C3~    7.690
27257 CC1(C)CCCN1CCOC(=O)[CH]([CH]2CCC=C2)C3=CC=CC=C3~    7.690
27259 CC1(C)CCN(CCOC(=O)[CH]([CH]2CCC=C2)C3=CC=CC=C3)C1~    7.690
27260 C[CH](COC(=O)[CH]([CH]1CCCC=C1)C2=CC=CC=C2)N3CCCC3~    7.690
27261 C[CH](CCOC(=O)[CH]([CH]1CCC=C1)C2=CC=CC=C2)N3CCCC3~    7.690
27262 O=C(OCCCCN1CCCC1)[CH]([CH]2CCC=C2)C3=CC=CC=C3~    7.690
27266 C[CH](CN1CCCC1)OC(=O)[CH]([CH]2CCCC=C2)C3=CC=CC=C3~    7.690
27267 O=C(OCCCN1CCCC1)[CH]([CH]2CCCC=C2)C3=CC=CC=C3~    7.690
27268 C[CH]1CCN(CCOC(=O)[CH]([CH]2CCCC=C2)C3=CC=CC=C3)C1~    7.690
27269 CC(C)C1=CC=C(C=C1)[CH](CC2=CC=CC=C2)N(CCO)CCO~   11.839
27270 CCCCCCCCCCOC(=O)NC1=C2C=CC=CC2=CC=C1~    7.564
27272 C[C]1(O)CC[CH]2[CH]3CCC4=CC5=C(C[C]4(C)[CH]3CC[C]12C)C=NO5~    8.364
27275 C[CH]1CCCN1CCCOC(=O)C2=CC=C(O[CH]3CCCC=C3)C=C2~    8.529
27276 CC(C)(C)C1=CC(=C(O)C(=C1)CN(CCO)CCO)C2=CC=CC=C2~   15.845
27277 CC[N+](C)(CC)CCOC(=O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2~   17.827
27279 CCCC1=C(C=C2OCOC2=C1)N(C)C(=O)[CH]3[CH](C=C(C)C)C3(C)C~    8.900
27280 CCCCOC1=CC=C(C=C1)C(=O)OCCN2C[CH]3[CH]4CC[CH](O4)[CH]3C2~   11.783
27281 CCN(CC)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)N(CC)CC~    7.112
27282 CCN(CC)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(CC)CC~    7.947
27283 CCN(CC)C1=CC=C(C=C1)C(=NO)C2=CC=C(C=C2)N(CC)CC~   10.646
27285 CCN(CC)CCCN[CH](CC1=CC=CC=C1)C2=CC=CC=C2~    9.654
27286 CC(C)NCC(C)(C)N[CH](CC1=CC=CC=C1)C2=CC=CC=C2~    9.873
27289 CNC(=O)C(C[CH](C)[N+](C)(C)C)(C1=CC=CC=C1)C2=CC=CC=C2~   20.873
27290 CC[N+](C)(CC)CCC(C(N)=O)(C1=CC=CC=C1)C2=CC=CC=C2~   21.092
27291 CC(C)[N+](C)(C)CCC(C(N)=O)(C1=CC=CC=C1)C2=CC=CC=C2~   21.092
27295 CCN(CC)CCCN[CH]([CH](O)C1=CC=CC=C1)C2=CC=CC=C2~   14.091
27296 C[C]1(O)CC[CH]2[CH]3CCC4=CC5=NNC=C5C[C]4(C)[CH]3CC[C]12C~    9.550
27297 CC1=CC(=C(O)C(=C1)C)CNCCCNCC2=C(O)C(=CC(=C2)C)C~   18.159
27298 CC[N+](C)(C)CC1=C(OC(=O)N(C)C)C(=CC=C1)CC2=CC=CC=C2~   19.483
27299 CN(C)CC1=C(O)C(=CC(=C1)CC2=CC(=C(O)C(=C2)C)CN(C)C)C~   17.721
27300 CC(C)C1=C(O)C=C(C)C(=C1)NCNC2=C(C)C=C(O)C(=C2)C(C)C~   14.427
27303 CCOC(=O)C1=C(C)C(=C(CC2=C(CC)C(=C(N2)C(=O)OCC)C)N1)CC~   12.585
27304 CCCCCCCCC1=CC=C(OCCOC(=O)C=CC(=O)NC(N)=O)C=C1~   14.406
27306 CC(=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C~    7.188
27307 CC(=O)[CH]1CC[CH]2[CH]3CC=C4CC(=O)CC[C]4(C)[CH]3CC[C]12C~    6.914
27309 CC(=O)C1=CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C~    8.190
27311 C[CH]1C[C]2(C)C(=CC1=O)CC[CH]3[CH]4CC[C](C)(O)[C]4(C)CC=C23~    8.190
27312 C[C]12CC[C](O)(C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O)C#C~    8.857
27314 C[C]12CCC(=O)C=C1CC[CH]3[CH]4CCC(=CCO)[C]4(C)C[CH](O)[CH]23~    9.627
27316 CC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C~    7.996
27317 CC(=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C~   11.625
27318 CC(=O)[C]12O[CH]1C[CH]3[CH]4CC=C5C[CH](O)CC[C]5(C)[CH]4CC[C]23C~    9.996
27319 CCCCCCCCCCCCC1=C(O)C2=C(OC1=O)C=CC=C2~    7.147
27321 CC(=O)[CH]1CC[CH]2[CH]3CC[C]45O[CH]4C(=O)CC[C]5(C)[CH]3CC[C]12C~    8.991
27323 CC(=O)[CH]1C[CH](O)[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C~   11.625
27324 COC(=O)[C]1(C)CCC[C]2(C)[CH]1CCC3=C2C=C(O)C(=C3)C(C)C~    8.227
27325 CCC(=O)O[CH]1CC[CH]2[CH]3CCC4=CC(=O)C[C]4(C)[CH]3CC[C]12C~    6.638
27326 C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2C(=O)CO~    9.432
27327 CC(=O)[C]1(O)CC[CH]2[CH]3C[CH](O)C4=CC(=O)CC[C]4(C)[CH]3CC[C]12C~    9.432
27329 C[C]12CCC(=O)C=C1CC[CH]3[CH]2CC[C]4(C)[CH](CC[C]34O)C(=O)CO~    9.432
27331 CC(=O)[C]1(O)CC[CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3C(=O)C[C]12C~   11.156
27333 C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1C[CH](O)[CH]2C(=O)CO~    9.432
27335 CC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C~    9.432
27336 C[C]12CCC(=O)C=C1[CH](O)C[CH]3[CH]2CC[C]4(C)[CH]3CC[C]4(O)C(=O)CO~    7.239
27338 C[C]12C[CH](O)[CH]3[CH](CC[CH]4CC(=O)C=C[C]34C)[CH]1CC[C]2(O)C(=O)CO~    7.311
27342 CCCCN(CCCC)CC[CH](O)C1=CC2=C(C=CC=C2)C=C1~    9.991
27343 C[CH](CSC(=O)[CH](C1CCCC1)C2=CC=CC=C2)CN3CCCC3~    8.083
27344 CCN1CCC[CH](C1)OC(=O)[CH](C2CCCCC2)C3=CC=CC=C3~    7.635
27345 C[CH]1CN(CCOC(=O)[CH](C2CCCC2)C3=CC=CC=C3)C[CH]1C~    7.635
27346 CC(=O)N[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C~   10.492
27348 CC1(C)CCCN1CCOC(=O)[CH](C2CCCC2)C3=CC=CC=C3~    7.635
27351 C[N+]1(CCCC1)CCOC(=O)[CH]([CH]2CCCC=C2)C3=CC=CC=C3~   15.955
27354 CCCCN(CCCC)C[CH](O)C1=C2C=CC=CC2=CC=C1OC~   11.345
27355 CN1C(=O)CC[C]2(C)[CH]3CC[C]4(C)[CH](CC[CH]4C(C)=O)[CH]3CC=C12~    9.752
27356 CC1(C)CCCN1CCOC(=O)[C](O)(C2CCCC2)C3=CC=CC=C3~    8.441
27357 C[C]12CC[CH]3[CH](CCC4=CC(CC[C]34C)=NOCC(O)=O)[CH]1CC[CH]2O~   10.754
27358 CC(C)N(CCO)C[CH]1O[CH](O[CH]2[CH]1O[CH]3OC(C)(C)O[CH]23)C4=CC=CC=C4~   20.031
27360 COC1=CC(=C2N=CC=CC2=C1)NCCCCCNC3CCCCC3~   13.395
27361 CCN(CC)CCCNC1=C2C=C(OC)C=CC2=NC3=C1CCCC3~   13.336
27365 CCN(CC)CCCNC1=C2CCCCC2=NC3=C(OC)C=CC=C13~   13.336
27366 COC1=CC(=C2N=CC=CC2=C1)NC[C](C)(O)CN3CC[CH](C)C[CH]3C~   17.613
27367 COC1=CC(=C2N=CC=CC2=C1)NC[C](C)(O)CN3CCC[CH](C)[CH]3C~   17.613
27368 CCOC(=O)C1=C(C)NC(=C1C)CN(C)CC2=C(C)C(=C(C)N2)C(=O)OCC~   16.135
27369 CCN(CC)CCN(C1CCCCC1)C(=O)C=CC2=CC=CC=C2~   11.570
27370 C[C]1(O)CC[CH]2[CH]3CC[CH]4CC5=NNC=C5C[C]4(C)[CH]3CC[C]12C~    9.238
27371 CCOC1=CC=C(C=C1)C(=O)N2CCCC[CH]2CCN3CCCCC3~   12.108
27372 CC1(C)[CH]2CC[C]1(C)C(=O)[CH]2NC(=S)N[CH]3[CH]4CC[C](C)(C3=O)C4(C)C~    9.562
27373 CC(C)(C)C(=O)[CH]([CH](N1CCOCC1)C2=CC=CC=C2)N3CCOCC3~   14.544
27374 CCN(CC)CCC[CH](C)NC1=NC(=C(C(=N1)C)C2=CC=CC=C2)C~    8.690
27375 CCOC(=O)NN(C(=O)OCC)C1=C(C)C(=C(C)C=C1C)N(NC(=O)OCC)C(=O)OCC~   15.932
27376 CCC(=O)C1=CC2=C(C=C1CC)[C](C)(CC)CC[C]2(C)CC~    4.005
27377 C[C]12CC[CH]3[CH](CCC4=CCCC[CH]34)[CH]1CC[C]2(O)CC=C~    4.642
27378 CCOC(=O)C(C(=O)OCC)C(C(C(=O)OCC)C(=O)OCC)(C(=O)OCC)C(=O)OCC~   15.889
27380 COC(=O)[C]1(C)CCC[C]2(C)[CH]3CCC(=CC3=CC[CH]12)C(C)C~    2.666
27381 C[CH]1C[C]2(C)[CH]3CC[C]4(C)[CH](CC[C]4(C)O)[CH]3CCC2=CC1=O~    8.206
27384 CCC[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[CH]4[CH]3CC[C]12C~    8.206
27385 CC1(C)C(=O)CC[C]2(C)[CH]3CC[C]4(C)[CH](O)CC[CH]4[CH]3CC=C12~    7.932
27387 CC(=O)[CH]1CC[CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3CC[C]12C~    6.932
27388 CC(=O)C1=CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C~    8.206
27389 C[C]12CC[CH]3[CH](CC[CH]4C[C](O)(CC[C]34C)C#C)[CH]1CC[CH]2O~    6.876
27390 CC(=O)C1=CC[C]2(C)[CH](CC[CH]3[CH]4CC[CH](O)[C]4(C)CC[CH]23)C1~    8.206
27392 C[C]12CC[CH]3[CH](CC=C4C[CH](O)CC[C]34C)[CH]1CCC2=CCO~    5.936
27393 CCCCCC(=CC1=CC=CC=C1)C2OCC(CC)(CC)CO2~    4.580
27396 CC(=O)[CH]1CC[CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C~   11.368
27397 COC(=O)[CH]1CC[CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3CC[C]12C~    6.382
27398 CC(=O)O[CH]1CC[CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3CC[C]12C~    6.382
27402 C[CH]1C[CH]2[CH]3CC[C](C)(O)[C]3(C)C[CH](O)[CH]2[C]4(C)CCC(=O)C=C14~    9.644
27403 C[CH]1C[C]2(C)[CH]3[CH](O)C[C]4(C)[CH](CC[C]4(C)O)[CH]3CCC2=CC1=O~    9.644
27406 C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]4CC[CH](C(=O)CO)[C]4(C)CC(=O)[CH]23~    9.175
27407 CC(=O)[C]1(O)CC[CH]2[CH]3CC[C]4(C)C[CH](O)CC[C]4(C)[CH]3C(=O)C[CH]12~    9.175
27408 CC(=O)[C]1(O)CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3C(=O)C[C]12C~    9.175
27410 C[C]12CCC(=O)C[CH]1CC[CH]3[CH]4CC[C](O)(C(=O)CO)[C]4(C)C[CH](O)[CH]23~    6.983
27412 CC1(C)CCCN1CCOC(=O)[CH]([CH]2CCCC=C2)[CH]3CCC=C3~    6.270
27413 CC(C)(COC(=O)[CH]([CH]1CCCC=C1)[CH]2CCC=C2)N3CCCC3~    6.270
27414 CC(C)CC[C](O)(C(=O)OCCN1CCCC1(C)C)C2=CC=CC=C2~    8.086
27417 CCN(CC)CC[C](C(O)=O)(C1=CC=CC=C1)C2(O)CCCCCC2~   14.098
27418 C[C]1(O)CC[CH]2[CH]3CC=C4N(CCO)C(=O)CC[C]4(C)[CH]3CC[C]12C~   12.208
27419 CO[CH](C)[C](O)(C(=O)OCC1=CCN2CC[CH](OC(=O)C(C)=CC)[CH]12)C(C)(C)O~   13.212
27420 COC(C)C(O)(C(=O)OCC1=CC[N+]2([O-])CCC(OC(=O)C(C)=CC)C12)C(C)(C)O~   20.307
27421 CCN(CC)CCC[CH](C)NC1=C2C=C(C)C(=CC2=NC=C1C)C~   11.710
27422 CCN(CC)CCCCCCNC1=C2N=CC=C(C)C2=CC(=C1)OC~   12.900
27423 CC[CH](C)N(CCCNC1=C2N=CC=CC2=CC(=C1)OC)CC(C)C~   12.821
27424 CCOC1=CC=CC2=C(N[CH](C)CCCN(CC)CC)C(=CN=C12)C~   12.900
27425 CCCCN(CCNC1=C2N=CC=CC2=CC(=C1)OC)C[CH](C)CC~   12.821
27428 CCCCCN(CCNC1=C2N=CC=CC2=CC(=C1)OC)[CH](C)CC~   12.821
27431 COC1=CC(=C2N=CC=CC2=C1)N[CH](C)CN(CC(C)C)CC(C)C~   12.821
27432 COC1=CC(=C2N=CC(=CC2=C1)C)NCCN(CC(C)C)CC(C)C~   12.900
27433 COC1=CC(=C2N=CC=CC2=C1)NC[CH](O)CN(CC(C)C)CC(C)C~   17.257
27434 CCCCN(C[CH](O)CNC1=C2N=CC=CC2=CC(=C1)OC)[CH](C)CC~   17.257
27437 OC1=C(CN2CCOCC2)C=C(CN3CCOCC3)C=C1CN4CCOCC4~   22.529
27438 OC1=C(CN2CCOCC2)C(=C(CN3CCOCC3)C=C1CN4CCOCC4)O~   26.511
27439 OC1=C(CN2CCOCC2)C(=C(O)C(=C1)CN3CCOCC3)CN4CCOCC4~   26.511
27440 OC1=C(CN2CCOCC2)C(=C(CN3CCOCC3)C(=C1CN4CCOCC4)O)O~   30.495
27441 CCN(CC)CCN(C1CCCCC1)C(=O)CCC2=CC=CC=C2~   10.914
27442 C(CCOC1=C(C=CC=C1)C2CCCCC2)CCN3CCNCC3~    9.886
27443 CC(C)C1=CC(=C(O)C(=C1)CN2CCCCC2)CN3CCCCC3~   12.460
27444 CCN(CC)C(=O)[CH](C1=CC=CC=C1)[C]2(O)CCCC[CH]2CN(C)C~   15.351
27446 CCOC(=O)N1CCN(CCCCOC2=CC=C(C=C2)C(C)(C)C)CC1~   11.717
27447 CCCCN(CCCC)CC(=O)NC1=CC=C(C=C1)C(=O)OCC(C)C~   11.298
27449 C[CH]1CC[C]2(C)O[CH]1O[CH]2CN3CSC(=S)N(C[CH]4O[CH]5O[C]4(C)CC[CH]5C)C3~   10.418
27450 CCOC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NS(=O)(=O)CC1=CC=CC=C1~   11.818
27451 CCCCCCCCCCCCCCSC1=NC2=CC=CC=C2N1~    6.372
27452 CC(C)CCOCC1=CC2=C(C=C1C)C(C)(C)CCC2(C)C~    3.154
27453 CCC[C]1(O)CC[CH]2[CH]3CCC4=CCCC[CH]4[CH]3CC[C]12C~    4.516
27454 CC1(C)[CH](O)CC[C]2(C)[CH]3CC[C]4(C)[CH](O)CC[CH]4[CH]3CC=C12~    5.951
27455 CC[C]1(O)CC[CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3CC[C]12C~    7.951
27457 CC(=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C~    7.951
27459 C[CH]1C[C]2(C)[CH](CC[CH]3[CH]2CC[C]4(C)[CH]3CC[C]4(C)O)CC1=O~    7.951
27460 C[CH]1C[C]2(C)[CH](CC[CH]3[CH]4CC[CH](O)[C]4(C)CC[CH]23)[CH](C)C1=O~    7.951
27461 CC(=O)O[CH]1CC[C]2(C)[CH](CC[CH]3[CH]4CCC[C]4(C)CC[CH]23)C1~    2.963
27464 CO[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](C[CH](O)[CH]4OC)[CH]3CC=C2C1~    8.625
27466 CC(=O)[CH]1CC[CH]2[CH]3C[CH](O)[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C~    9.386
27467 CC(=O)[C]1(O)CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3[CH](O)C[C]12C~    7.193
27468 CCCCCCCCCCCCN1CCC2=C(C1)C=CC=C2~    4.489
27470 CCN(CC)CCOC(=O)C1=C(CC)C(=CC(=C1CC)CC)CC~    6.730
27471 CCCCCCCCC1=CC=C(OCCCN2CCOCC2)C=C1~    7.815
27472 CC(C)CC[C](O)(C(=O)OCC[N+]1(C)CCC[CH]1C)C2=CC=CC=C2~   16.351
27473 CC[N+](C)(CC)CCOC(=O)[CH](C1=CC=CC=C1)C2(O)CCCCC2~   19.979
27475 CCC(C)(C)C1=CC=C(OCCCCCCN2CCNCC2)C=C1~    9.530
27478 CCCCCCCCCCCC(=O)OCCNC(=O)C[N+]1=CC=CC=C1~   17.569
27480 CCCCCCCCCCCCCCCC1=CC=C(O)C=C1~    4.485
27482 COCCOCCOC(=O)[C](CO)(C[C](CO)(C(C)=O)C(=O)OCCOCCOC)C(C)=O~   25.339
27483 CCCCCCCCCCCCCCCC1=CC(=C(O)C=C1)O~    8.469
27484 CCCCCCCCCCCCCCCC1=C(O)C=C(O)C=C1~    8.469
27485 CCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O~    8.469
27487 C[C]1(O)C[C]2(C)[CH](CC[C]2(C)O)[CH]3CC[CH]4CCCC[C]4(C)[CH]13~    5.967
27488 CC[C]1(O)CC[C]2(C)[CH](CC[CH]3[CH]4CC[CH](O)[C]4(C)CC[CH]23)C1~    5.967
27490 COC(=O)CCC1CCC(CC1)CC2CCC(CC2)CCC(=O)OC~    5.122
27491 CCCCCCCCCCCCCCCC1=C(C=CC(=C1)O)S(O)(=O)=O~   10.815
27492 CCCCCCCCCCCCCCNCC1=CC=CC=C1~    4.272
27493 CCCCCCCCCCCCCCCC1=C(N)C=CC(=C1)O~    7.939
27494 CN(C)CC1=CC(=CC(=C1O)C(C)(C)CC(C)(C)C)C(C)(C)C~    8.197
27496 C[CH](O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](N)CC[C]4(C)[CH]3CC[C]12C~    8.519
27497 CCC[CH](C1CCCC1)C(=O)OCCN2CCCC23CCCCC3~    6.159
27498 CCCCCCCCCCCCCCCCSC1=CC=CC=N1~    3.251
27499 CCN(CC)C[CH](O)CN(CC(C)C)CC(=O)NC1=C(C)C=CC=C1C~   17.009
27500 CCOC[CH](CN(CC)CC)N(CC)CC(=O)NC1=C(C)C=CC=C1C~   14.627
27501 CCOC(=O)N[CH](C(C)C)C(=O)N(C1CCCCC1)C(=O)NC2CCCCC2~   12.900
27502 C=CC[N+](CCC[N+](CC=C)(CC=C)CC=C)(CC=C)CC=C~   17.070
27503 CCCCCCCCCCCCOCCCNS(=O)(=O)C1=CC=C(N)C=C1~    9.815
27504 C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](NC(N)=N)[CH](O)[CH]2NC(N)=N)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3N(C)N=O)[C]1(O)C=O~   44.008
27505 C=CCCCCCCCCC(=O)CCCCCCCCC=C~    2.346
27506 CCCCCCCCC=CCCCCCCCC(=O)OC[CH]1CO1~    4.507
27507 CCCCCCOC(=O)CC1CC(C(=O)OCCCCCC)C1(C)C~    4.767
27509 CCCCCCCCC1OC1CCCCCCCC(=O)OCC2CO2~    6.863
27510 CCCCCC[CH](CC=CCCCCCCCC(=O)OC)OC(C)=O~    4.466
27511 CCCCCCCC(=O)O[CH](CC[CH]1CCCO1)CC[CH]2CCCO2~    7.262
27513 CCCCCOC(=O)CC(CC(=O)OCCCCC)C(=O)OCCCCC~    7.280
27514 CC(C)CCOC(=O)CC(CC(=O)OCCC(C)C)C(=O)OCCC(C)C~    7.280
27515 CCCCCC[CH](C)OC(=O)OCCOCCOC(=O)O[CH](C)C(=O)OCCCC~    7.387
27516 CCCCCCCCOC(=O)OCCOCCOC(=O)O[CH](C)C(=O)OCCCC~    7.387
27518 CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1~    7.979
27520 CCN(CC)CCOC(=O)[CH](C1CCCCC1)C2(O)CCCCCC2~   10.240
27521 CCCCCCOCCOCCCNC(=O)[CH]1[CH](C=C(C)C)C1(C)C~    9.845
27522 CCCC[CH](CC)CC[CH](CCC(CC)CC)OC(=O)C(=NO)C(C)=O~    7.879
27523 CCCC[CH](CC)C(=O)OCCNC(=O)[CH](C)OC(=O)[CH](CC)CCCC~   10.284
27525 C1CCC(CC1)N2CN(CN(C2)C3CCCCC3)C4CCCCC4~    3.246
27527 CCCCCCCCC=CCCCCCCCC(=O)OCCC~    1.597
27528 CCCCCCCCCCCCCCCC(=O)OC[CH]1CCCO1~    4.851
27530 CCCCCC[CH](O)CC=CCCCCCCCC(=O)OCCOC~    8.088
27531 CCCCCC[CH](O)CC=CCCCCCCCC(=O)OC[CH](C)O~    7.471
27532 CCCCOC(=O)C(CC)(CCCCC(C)(C)C)C(=O)OCCCC~    4.410
27533 CCCCCC[CH](O)CC=CCCCCCCCC(=O)OC[CH](O)CO~    8.907
27534 CCCCCCC[C](CCCCC)(CCCCCC)CC#N~    2.177
27536 CCCC[CH](CC)CN(C[CH](CC)CCCC)C1=CCCC1~    2.313
27537 CCCCCCCCCCCCCCCCN=C(C)CCC(O)=O~    5.228
27538 CCCCCCCCCC(=O)O[CH](C)C(=O)N(CCCC)CCCC~    7.196
27539 CCCCCCCCCCCCCCCCCCNCCC#N~    5.947
27540 CCCCCCCCCCCCCC1=NC(C)(C)CN1C(C)C~    3.883
27541 CCCCCCCCCCCCCCCCCC1=NCCCN1~    4.101
27542 C[CH](CCN1CCN(CC[CH](C)CC(C)(C)C)C1=O)CC(C)(C)C~    6.458
27543 CCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC=C~   16.712
27544 CCCCCCCCCCCCCCCCCC1=NCCN1CS(O)(=O)=O~    7.979
27547 CCCCCCCCCCOC(=O)OCCCCCCCCCC~    0.991
27549 CCCCCCCCC=CCCCCCCCCOC[CH](O)CO~    6.656
27550 CCCCCCCCCCCCCCCCCC(=O)OC[CH](O)CO~    7.415
27551 CCCCCC[CH](O)CCCCCCCCCCC(=O)OC[CH](C)O~    7.415
27552 CCCCCC[CH](O)CCCCCCCCCCC(=O)OCCOC~    8.033
27553 CCCCCC[CH](O)CCCCCCCCCCC(=O)OC[CH](O)CO~    8.851
27554 CCCCCCCCN(CCCCCCCC)C(=O)CC(C)C~    5.177
27555 CCCCCCCCCCCCCCCCCN(C)C(=O)OCC~    4.627
27556 CCCCCCCCCCCCCCCCCCNC(=O)[CH](C)O~    6.202
27558 CCCCCCCCCCCCCCCCNCCC(=O)OCC~    5.311
27559 CCCCCCCCCCCCCCCCCCNC(=O)OCC~    4.845
27560 CCCCCCCCCCCCCCCCCCNC(=O)OCCO~    9.283
27561 CCCCCCCCCCCCCCCCCCSC(=S)N(C)C~    1.842
27562 CCCCCCCCCCCCCCCC[N+](C)(C)CCC#N~   13.991
27563 CCCCCN(CCCCC)C(=O)N(CCCCC)CCCCC~    6.103
27565 CCCCCCCCCCCCCCCCSC(NCC)=NCC~    5.842
27567 CCCCCCCCCCCCCCCCCCOC[CH](O)CO~    6.600
27568 CCCCCCCCCCN(C)CCCCCCCCCC~    2.223
27569 CCCCOCN(C[CH](CC)CCCC)C[CH](CC)CCCC~    2.979
27570 CCCC[CH](CC)CN1CN(C[CH](CC)CCCC)C[C](C)(N)C1~    7.616
27571 C[N+]1(CCCCCCC1)CCCCC[N+]2(C)CCCCCCC2~   17.015
27572 CCCCCCCCCCCCCCCCCC[N+](C)(C)C~   10.488
27574 C1=CC2=C(C=C1)C3=C4C(=C2)C=CC5=CC6=C(C=CC=C6)C(=C45)N=N3~   10.376
27575 [O-][N+](=O)C1=CC(=C(OC2=C3C=CC=C(OC4=C(C=C(C=C4)[N+]([O-])=O)[N+]([O-])=O)C3=CC=C2)C=C1)[N+]([O-])=O~   16.215
27577 O=C1C2=C(C(=O)C3=C1C4=C(C=CC=C4)C=C3)C5=C(C=CC=C5)C=C2~   10.519
27578 OC(=O)C1=C(SC2=C3C(=O)C4=CC=CC=C4C(=O)C3=CC=C2C(O)=O)C=CC=C1~   20.125
27579 O=C1C(C2=NC3=C(C=C2)C4=C(C=CC=C4)C=C3)C(=O)C5=C1C=CC=C5~   14.224
27582 C1=CC2=C(C=C1)C3=CC4=C(C=C3C=C2)C5=C(C=CC=C5)C=C4~    6.311
27584 O=C(C(=O)C1=C2C=CC=CC2=CC=C1)C3=C4C=CC=CC4=CC=C3~   10.133
27585 CC(=O)OC1=C2C=CC3=CC=CC4=CC=C(C5=C1C=CC=C5)C2=C34~    8.011
27586 O=C(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)C4=CC=CC=C4~   11.519
27587 O=C1C(C(=O)C2=CC=CC=C12)C(=O)C3=C4C=CC=C5CCC(=C45)C=C3~   11.839
27588 OC(=O)C1=C2C(=CC=C1)C=CC=C2C3=C4C(=CC=C3)C=CC=C4C(O)=O~   14.796
27589 OC(=O)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C(O)=O~   18.547
27590 OC1=C2N=CC=CC2=C(C=C1)C3C4=C(OC5=C3C=CC=C5)C=CC=C4~   13.292
27592 O=C1N(C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C1=O~   11.593
27593 O=C1C(=C(OC2=CC=CC=C2)C(=O)C3=CC=CC=C13)NC4=CC=CC=C4~   11.947
27599 [O-][N+](=O)C1=CC(=C(NN(C2=CC=CC=C2)C3=CC4=C(C=CC=C4)C=C3)C(=C1)[N+]([O-])=O)[N+]([O-])=O~   12.098
27600 C1=CC=C(C=C1)C=CC=C2C3=C(C=CC=C3)C4=CC=CC=C24~    5.613
27601 C1=CC=C(C=C1)C(C2=CC=CC=C2)=C3C=CC4=C3C=CC=C4~    5.848
27602 C1=CC=C2C=C(C=CC3=CC4=C(C=CC=C4)C=C3)C=CC2=C1~    5.928
27603 C1C2=CC=CC=C2C3=C1C=C(C=C3)N=CC4=CNC5=C4C=CC=C5~    9.298
27604 OC(=O)C(CC1=NC2=C(C=CC=C2)C=C1)=CC3=NC4=C(C=CC=C4)C=C3~   16.573
27605 CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=NC4=CC=C(C=C4)C(O)=O~   16.194
27608 CC1=CC=C(C=C1)C2(OC(=O)C3=C2C=C(C(=C3)[N+]([O-])=O)[N+]([O-])=O)C4=CC=C(C)C=C4~   11.804
27612 OC1=C2C=CC=CC2=C(C=C1)N=NC3=CC=C(C=C3)N=NC4=CC=CC=C4~   12.389
27613 OC1=CC(=CC2=CC(=C(N=NC3=CC=C(C=C3)N=NC4=CC=C(C=C4)S(O)(=O)=O)C(=C12)O)S(O)(=O)=O)S(O)(=O)=O~   35.365
27614 OC1=C(N=NC2=C(C=C(C=C2)N=NC3=CC=C(C=C3)S(O)(=O)=O)S(O)(=O)=O)C4=C(C=C(C=C4)S(O)(=O)=O)C=C1S(O)(=O)=O~   37.712
27615 OC1=C(N=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(O)(=O)=O)C4=C(C=CC=C4)C=C1~   18.721
27616 OS(=O)(=O)C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)N=NC3=C4C=CC=CC4=CC=C3)S(O)(=O)=O~   21.068
27619 OC1=C2C(=CC(=C1N=NC3=CC=C(C=C3)N=NC4=CC=CC=C4)S(O)(=O)=O)C=CC=C2S(O)(=O)=O~   25.051
27620 OC1=C2C=CC=CC2=C(C=C1N=NC3=CC=C(C=C3)N=NC4=CC=C(C=C4)S(O)(=O)=O)S(O)(=O)=O~   25.051
27621 OC1=C2C=CC=C(C2=C(C=C1)N=NC3=CC=C(C=C3)N=NC4=CC=C(C=C4)S(O)(=O)=O)S(O)(=O)=O~   25.051
27623 NC1=C2C(=C(N=NC3=CC=CC=C3)C(=CC2=CC(=C1N=NC4=CC=C(C=C4)[N+]([O-])=O)S(O)(=O)=O)S(O)(=O)=O)O~   30.907
27625 O1C(=CC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4~    5.614
27626 CC1C2=C(OC3=CC=C4C=CC=CC4=C13)C=CC5=C2C=CC=C5~    6.220
27628 O=C1OC(=CC1(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4~    6.752
27630 COC1=C2C3=C4C(=CC=C3OC)C=CC=C4C5=C2C(=CC=C5)C=C1~    8.547
27631 O=C1C2=CC=CC=C2C(=O)C1(CC3=CC=CC=C3)C4=CC=CC=C4~   10.290
27632 OC1=C(C=CC(=C1)OC(=O)C2=CC=CC=C2)C(=O)CC(=O)C3=CC=CC=C3~   12.389
27633 CCOC(=O)C(C1=C(O)C2=C(OC1=O)C=CC=C2)C3=C(O)C4=C(OC3=O)C=CC=C4~   15.369
27634 C1C2=CC=CC=C2C3=C1C=C(C=C3)N=CC=CC4=CC=CC=C4~    5.652
27636 N(C1=CC=C(C=C1)C2=CC=CC=C2)C3=CC4=C(C=CC=C4)C=C3~    8.104
27637 C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NC4=CC=CC=C4C=C3~    8.305
27638 CC1=C(C2=CC=CC=C2)C(=C3C=CC=CC3=N1)OC4=CC=CC=C4~    8.893
27639 O=C(C=CC1=CC=CC=C1)C2=CC=C(C=C2)N=CC3=CC=CC=C3~    8.374
27640 OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=C4C=CC=CC4=CC=N3~   12.742
27643 O=C1[CH]([CH](N(C2=CC=CC=C2)C1=O)C3=CC=CC=C3)C4=CC=CC=C4~   11.839
27644 CCOC(=O)C1=CC(=NC2=C1C=CC=C2)C3=C4C=CC=CC4=CC=C3~   10.356
27645 OC1=C(CN=CC2=C3C=CC=CC3=CC=C2O)C4=CC=CC=C4C=C1~   14.487
27648 COC1=CC=C(C=C1OC)C=C2C3=CC=CC=C3C4=C2C=C(C=C4)[N+]([O-])=O~   10.573
27649 OS(=O)(=O)C1=CC(=C2C(=C1)C=CC=C2S(O)(=O)=O)N(C3=CC=CC=C3)C4=CC=CC=C4~   18.939
27651 OC1=C(C=CC2=CC=CN=C12)[CH](NC3=CC=CC=C3)C4=CC=C(C=C4)[N+]([O-])=O~   17.845
27652 [O-][N+](=O)C1=CC=C(SCC(=O)NC2=CC=C(C=C2)C(=O)CSC3=CC=C(C=C3)[N+]([O-])=O)C=C1~   21.100
27653 NC1=CC2=CC(=C(N=NC3=CC=C(C=C3)N=NC4=CC=C(C=C4)S(O)(=O)=O)C(=C2C=C1)O)S(O)(=O)=O~   28.503
27654 C(CC1=C2C=CC=CC2=CC=C1)C3=C4C=CC=CC4=CC=C3~    5.217
27655 CCC1=C2CCC3=C2C(=CC4=C3C=CC5=C4C=CC=C5)C=C1~    5.405
27656 CC1=C2CCC3=C2C(=CC4=C3C=C(C)C5=C4C=CC=C5)C=C1~    5.484
27658 N(C1=CC=CC=C1)C2=CC=C3C=CC(=CC3=C2)NC4=CC=CC=C4~   10.699
27659 OC1=C(C=CC2=CC=CN=C12)[CH](NC3=CC=CC=C3)C4=CC=CC=C4~   15.441
27660 CN(C)C1=CC=C(C=C1)C=NC2=CC3=C(C=C2)C4=CC=CC=C4C3=O~    9.706
27662 CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=NC4=CC=C(C)C=C4~   11.456
27665 OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=NC=CN3C4=CC=CC=C4~   14.445
27667 CN(C)C1=CC=C(C=C1)C=C2C3=CC=CC=C3C4=CC=C(C=C24)[N+]([O-])=O~    9.917
27668 COC1=CC=C(C=C1)C2=C3C=CC=CC3=C(N=N2)C4=CC=C(OC)C=C4~   11.238
27669 COC1=CC=C(C=C1)N=C2C3=CC=CC=C3C4=C2C=C(NC(C)=O)C=C4~   12.726
27670 CC(=O)N1C=C(C(=C)C2=CN(C(C)=O)C3=C2C=CC=C3)C4=C1C=CC=C4~   12.169
27671 COC1=CC=C(C=C1)C2=C(N=C3C=CC=CC3=N2)C4=CC=C(OC)C=C4~   11.116
27672 CNC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(NC4=CC=C(C)C=C4)C=C1~   15.275
27673 OS(=O)(=O)C1=CC=CC2=CC(=CC(=C12)NC3=CC=CC=C3)NC4=CC=CC=C4~   17.030
27675 OC(=O)[CH](CCCCN1C(=O)C2=CC=CC=C2C1=O)N3C(=O)C4=CC=CC=C4C3=O~   20.701
27676 CCS(=O)(=O)C1=CC=C2C(=O)C3=C(N)C(=CC(=C3C(=O)C2=C1)NC4=CC=CC=C4)S(O)(=O)=O~   25.503
27679 CC(=O)NC1=C2C=CC=NC2=C(SSC3=C4N=CC=CC4=C(NC(C)=O)C=C3)C=C1~   20.785
27680 C[C]1(O)C2=C(C=CC=C2)C(=C1C3=CC=CC=C3)C4=CC=CC=C4~    9.812
27681 O=C(C[CH](C(=O)C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~    9.854
27682 COC1=C(C2=C(C=CC=C2)C=C1)C3=C4C=CC=CC4=CC=C3OC~    7.860
27683 C(COC1=C2C=CC=CC2=CC=C1)OC3=C4C=CC=CC4=CC=C3~    7.759
27684 COC(=O)[C]1(CC2=CC=CC=C2C3=C1C=CC=C3)C4=CC=CC=C4~    7.370
27685 COC(=O)[CH](C)CC(=O)C1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34~   10.198
27686 COC1=CC=C(C=C1)C2=C3C=CC=CC3=C(O2)C4=CC=C(OC)C=C4~    7.967
27687 O=C(OCC1=CC=CC=C1)C2=C(C=CC=C2)C(=O)OCC3=CC=CC=C3~    8.836
27688 CC1=CC(=CC=C1O)C(=C2C=CC(=O)C(=C2)C)C3=C(C=CC=C3)C(O)=O~   16.199
27689 COC1=CC=C(C=C1)[C]2(O)C3=C(C=CC=C3)C(=O)C4=C2C=C(OC)C=C4~   14.091
27690 COC1=CC=C(C=C1)C2(OC(=O)C3=C2C=CC=C3)C4=CC=C(OC)C=C4~    9.538
27691 COC1=CC=C(C=C1)[C]2(OC(=O)C3=C2C=CC=C3)C4=C(OC)C=CC=C4~    9.538
27692 CC(=O)OC1=CC=C(C=C1)[CH](C2=CC=CC=C2)C3=C(C=CC=C3)C(O)=O~   11.028
27693 O[C](C1=CC=CO1)(C2=CC=CC=C2)[C](O)(C3=CC=CO3)C4=CC=CC=C4~   11.257
27694 O=C1OC(=CC1=CC2=CC3=C(OCO3)C=C2)C4=CC5=C(CCCC5)C=C4~    9.168
27695 COC1=CC(=C(C=C1)[C]2(OC(=O)C3=C2C=CC=C3)C4=CC=CC=C4)OC~    9.538
27696 CCCC(C1=C(O)C2=C(OC1=O)C=CC=C2)C3=C(O)C4=C(OC3=O)C=CC=C4~   12.499
27697 CC1=C(O)C=C(O)C(=C1O)C2(OC(=O)C3=C2C=CC=C3)C4=C(O)C=C(O)C(=C4O)C~   30.893
27698 COC(=O)C(=CC1=CC2=C(OCO2)C=C1)C(=CC3=CC4=C(OCO4)C=C3)C(=O)OC~   15.324
27699 C(SCC1=C2C=CC=CC2=CC=C1)C3=C4C=CC=CC4=CC=C3~    7.312
27700 CN(C)C1=CC=C(C=C1)C=C2C3=C(C=CC=C3)C4=CC=CC=C24~    7.513
27702 CC1=C2NC(=C(C3=CC=CC=C3)C2=CC=C1)CC4=CC=CC=C4~    8.175
27704 CC1=CC=C[N+](=C1)CC(=O)C2=CC3=C(C=C2)C4=C(C=CC=C4)C=C3~   15.676
27705 CC(=O)N([CH](C1=CC=CC=C1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3~   10.567
27706 O=C(CC(CC(=O)C1=CC=CC=C1)C2=CC=CC=N2)C3=CC=CC=C3~   12.614
27707 O=C(CC(CC(=O)C1=CC=CC=C1)C2=CC=NC=C2)C3=CC=CC=C3~   12.614
27708 COC1=CC=C(C=NC2=CC3=C(C=C2)C4=CC=CC=C4C3)C=C1OC~    7.971
27709 CC1=CC=C(C=C1)C(=O)N[CH]2C3=C(OC4=C2C=CC=C4C)C=CC=C3~   11.417
27711 OC1=C(CNCC2=C3C=CC=CC3=CC=C2O)C4=CC=CC=C4C=C1~   16.951
27712 COC(=O)[CH](C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~   11.214
27713 O=C(NC1C2=C(OC3=C1C=CC=C3)C=CC=C2)OCCC4=CC=CC=C4~   11.220
27715 [O-][N+](=O)C1=CC=C(C=C1)C(=O)OC[CH](CC2=CC=CC=C2)C3=CC=CC=C3~    8.804
27716 CN(C)C1=CC=C(C=C1)[C]2(OC(=O)C3=C2C=CC=C3)C4=C(O)C=C(O)C=C4~   16.845
27718 CC1=CC=NC(=C1)N[CH](C2=CC=CC=C2)C3=C(O)C4=NC=CC=C4C=C3~   18.281
27719 O=C1N=C(NCC2=CC=CC=C2)NC1(C3=CC=CC=C3)C4=CC=CC=C4~   14.896
27720 CN(C1=CC=CC=C1)C2=NC(=O)C(N2)(C3=CC=CC=C3)C4=CC=CC=C4~   13.090
27721 O=C(CNC(=O)C1=CC=CC=C1)N(C(=S)NC2=CC=CC=C2)C3=CC=CC=C3~   11.517
27723 CN(C)C1=C(C=C2C(=C1)CC3=C2C=CC=C3)N=CC4=CC=CC=C4~    7.313
27724 C(CC1=CN(CC2=CC=CC=C2)C3=C1C=CC=C3)C4=CC=NC=C4~    9.627
27725 CC1=CC=C(C=C1)N=CC(=NC2=CC=C(C)C=C2)C3=CC=CC=C3~    5.580
27726 CN(C)C1=CC=C(C=C1)C=NC2=CC3=C(C=C2)C4=CC=CC=C4[CH]3O~   11.750
27727 CC(=O)C(=NNC1=CC=CC=C1)C(C2=CC=CC=C2)C3=CC=CC=C3~    9.228
27728 O=C(C1=CC=CC=C1)C2=C[N+](=CC=C2)CCC3=CNC4=C3C=CC=C4~   18.020
27729 O=C(NCC1=CC=CC=C1)C2=C(C=CC=C2)C(=O)NCC3=CC=CC=C3~   13.344
27730 C1OC2=CC3=C(OCN(C3)C4=CC=CC=C4)C=C2CN1C5=CC=CC=C5~    8.866
27731 COC1=CC=C(C=C1)C(=O)C(=NNC2=CC=CC=C2)C3=CC=C(OC)C=C3~   11.418
27732 CN1C=C([CH](CC(=O)C2=CN(C)C3=C2C=CC=C3)C(O)=O)C4=C1C=CC=C4~   16.017
27734 [O-][N+](=O)C1=CC=C(C=C1)C(=O)OC2=C(CN3CCOCC3)C4=C(C=CC=C4)C=C2~   13.733
27735 CC(=O)NC1=CC2=[N+](C3=CC=CC=C3)C4=C(C=CC(=C4)NC(C)=O)N=C2C=C1~   24.678
27737 O=C(CCSCCC(=O)NN=CC1=CC=C(C=C1)C#N)NN=CC2=CC=C(C=C2)C#N~   18.658
27738 O=C(CNC1=NC=CO1)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(NC(=O)CNC4=NC=CO4)C=C3~   26.947
27739 CC(=O)C(CC1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3~    7.461
27741 CC1=C(C)CC2=C(OC(=C2C1)C3=CC=CC=C3)C4=CC=CC=C4~    4.188
27742 CC1=C(C=CC=C1)[CH](CC(=O)C2=CC=CC=C2)C3=CC=CC=C3~    7.028
27744 C[CH]([CH](C1=CC=CC=C1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3~    6.947
27746 CC1=C(C(O)=O)C(=CC2=C1C(=O)C3=C(C(=C(O)C(=C3O)O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)O)C2=O)O~   32.453
27747 OC(=O)[CH]([CH](CC1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~    9.294
27749 CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3~    6.914
27752 CCOCC1=C(C=CC=C1)C2(O)C3=C(OC4=C2C=CC=C4)C=CC=C3~   11.618
27753 COC1=CC=C(C=C1)[CH]2O[CH](C3=CC=C(OC)C=C3)C4=C2C=CC=C4~    9.235
27754 COC1=CC=C(C=C1)C=C2C=C(OC2=O)C3=CC4=C(CCCC4)C=C3~    7.462
27757 COC1=CC=C(C=C1)[CH](C2=C(OC)C=CC=C2)C3=C(C=CC=C3)C(O)=O~   11.564
27759 COC(=O)C1=C(C2=CC(=C(OC)C(=C2)OC)OC)C3=C(C=C4OCOC4=C3)C(=C1)O~   17.186
27761 CN(C)C(C1=CC=CC=C1)=C(C2=CC=CC=C2)C3=CC=CC=C3~    8.241
27762 CN(C)C1(CC2=CC=CC=C2)C3=C(C=CC=C3)C4=CC=CC=C14~    8.051
27764 O=C(CN(CC1=CC=CC=C1)CC2=CC=CC=C2)C3=CC=CC=C3~    9.199
27765 O=C([CH](NCCC1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~    9.418
27766 C[CH](N[CH](C(=O)C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~    9.418
27767 CC(=O)NC1=C(C)C=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3~   10.310
27768 COC1=CC=C(C=C1)C2(OC)C3=C(C=CC=C3)N(C)C4=C2C=CC=C4~    9.312
27770 C1OC2=C(O1)C=C(C=C2)[CH](CC3=CC=CC=C3)NCC4=CC=CC=C4~   10.870
27772 CC(=O)OC1=CC=C2C=CC=CC2=C1CN(CC3=CC=CC=C3)C(C)=O~   12.384
27773 CC(=O)OC1=CC=C2C=CC=CC2=C1CN(C(C)=O)C3=CC=C(C)C=C3~   10.879
27776 CCOC(=O)CNC(=O)[CH]1[CH](C2C3=C(C=CC=C3)C1C4=C2C=CC=C4)C(O)=O~   16.627
27778 CC1=C(C=CC=C1)C(C2=C(C)C=CC=C2)C3=C(C)C=CC=C3~    4.283
27779 CN1C=CC(=CC2=[N+](C)C3=CC=C(C)C=C3C=C2)C4=C1C=CC=C4~   14.285
27782 CN(C)C1=CC=C(NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C=C1~   12.194
27784 CN(CC1=CC=CC=C1)C2=CC(=O)C(=CC2=O)N(C)CC3=CC=CC=C3~   14.469
27786 O=C(CC(=O)C1=CC=CC=C1)N2CCN(CC2)C(=O)CC(=O)C3=CC=CC=C3~   18.187
27789 CN(C)C1=CC=C(C=C1)C=CC2=[N+](C)C3=C4C=CC=CC4=CC=C3S2~   15.547
27790 CN1N(C2=CC=CC=C2)C(=O)C(=C1C)C3=C(C)N(C)N(C4=CC=CC=C4)C3=O~   13.842
27791 CC1=NC2=C(C=C(OCCOC3=CC4=C(N)C=C(C)N=C4C=C3)C=C2)C(=C1)N~   20.342
27792 O=C(CSCC(=O)NN=CC=CC1=CC=CC=C1)NN=CC=CC2=CC=CC=C2~   15.149
27793 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(NS(=O)(=O)C3=CC=C(NC(C)=O)C=C3)C=C2~   19.680
27796 O=NN(CC(=O)NN=CC=CC1=CC=CC=C1)CC(=O)NN=CC=CC2=CC=CC=C2~   15.130
27797 OC(CC1=CC=CC=C1)(CC2=CC=CC=C2)CC3=CC=CC=C3~    8.480
27798 COC1=C(OC)C(=CC(=C1)CC(CC(=O)C2=CC3=C(OCO3)C=C2)(C(O)=O)C(O)=O)OC~   22.730
27799 CCOCC1=C(C=CC=C1)C(O)(C2=CC=CC=C2)C3=CC=CC=C3~   10.614
27800 CC1=CC(=C(C=C1)C2=CC(=C(C=C2O)C3=C(C)C=C(C)C=C3)O)C~   12.292
27801 OC1=C2C=CC=CC2=CC=C1C(=O)CCCCCC3=CC=CC=C3~    7.502
27802 C(OC(CC1=CC=CC=C1)OCC2=CC=CC=C2)C3=CC=CC=C3~    7.452
27803 CC1=CC=C(C=C1)[CH](CS(=O)(=O)C2=CC=C(C)C=C2)C3=CC=CC=C3~    7.883
27804 COC1=CC=C(C=C1)[C](O)(C2=C(C)C=CC=C2)C3=C(OC)C=CC=C3~   11.262
27805 COC1=CC=C(C=C1)C(C2=CC=C(OC)C=C2)C3=CC=C(OC)C=C3~    8.096
27806 COC1=CC=C(C=C1)C=C2CCCC(=CC3=CC=C(OC)C=C3)C2=O~    9.857
27807 COC1=CC=C(C=C1)[CH](O)C2=C(C=CC=C2)[CH](O)C3=CC=C(OC)C=C3~   12.699
27809 COC1=CC=C(C=C1)[CH](O)[C](O)(C2=CC=CC=C2)C3=CC=C(OC)C=C3~   12.618
27810 COC1=CC(=C(OC)C(=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3~    9.367
27811 CCOC(=O)C1([CH]([CH]1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(=O)OCC~   11.211
27812 COC1=C(O)C=CC(=C1)C=C2CCCC(=CC3=CC(=C(O)C=C3)OC)C2=O~   17.824
27813 COC1=C(C=CC=C1)C(C2=C(O)C=C(C)CC2=O)C3=C(O)C=C(C)CC3=O~   14.013
27814 COC1=CC(=CC=C1OCC=C)C(=O)C(=O)C2=CC=C(OCC=C)C(=C2)OC~   12.788
27815 COC1=CC(=CC=C1O)C(C2=CC=C(O)C(=C2)OC)C3=CC=C(O)C(=C3)OC~   20.044
27816 COC1=CC=C(C=CC(=O)OCCOC(=O)C=CC2=CC=C(OC)C=C2)C=C1~   11.967
27820 COC1=CC(=CC(=C1OC)OC)C[CH]2[CH](COC2=O)C(=O)C3=CC4=C(OCO4)C=C3~   15.453
27821 COC1=CC(=CC(=C1OC)OC)[CH]2[CH]3[CH](COC3=O)CC4=C(O)C5=C(OCO5)C=C24~   16.967
27822 COC1=CC(=CC(=C1OC)OC)[CH]2[CH]3[CH](COC3=O)[CH](O)C4=C2C=C5OCOC5=C4~   17.420
27823 COC1=CC2=C(O)C=C(C(O)=O)C(=C2C=C1OC)C3=CC(=C(OC)C(=C3)OC)OC~   19.213
27825 C[N+](C)(CC1=CC=CC=C1)C2C3=C(C=CC=C3)C4=CC=CC=C24~   16.316
27826 CN(C)[CH](C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~    7.593
27827 C(CC1=CC=CC=C1)N[CH](CC2=CC=CC=C2)C3=CC=CC=C3~    7.812
27828 CC1=CC=C(C=C1)C(C)(C)C2=CC=C(NC3=CC=CC=C3)C=C2~    6.740
27830 CN(CC1=CC=CC=C1)CC(O)(C2=CC=CC=C2)C3=CC=CC=C3~   12.030
27831 CC1=CC=C(C=C1)[C](O)(CNCC2=CC=CC=C2)C3=CC=CC=C3~   12.329
27834 CN(CC1=CC=CC=C1)[CH](OCC2=CC=CC=C2)C3=CC=CC=C3~    8.348
27835 OC1=C([CH](N2CCCCC2)C3=CC=CC=C3)C4=CC=CC=C4C=C1~   11.604
27836 CCC[C](O)([CH](C1=CC=CC=C1)C2=CC=CC=N2)C3=CC=CC=C3~   11.240
27837 CC(C)(CCOC(=O)NC1=C2C=CC=CC2=CC=C1)C3=CC=CC=C3~    9.272
27840 COC1=CC=CC(=C1O)[CH](CC2=CC=CC=C2)NCC3=CC=CC=C3~   13.146
27841 COC1=CC=CC(=C1OC)[CH](CC2=CC=CC=C2)NC3=CC=CC=C3~    9.896
27842 CCOC(=O)C(NC(=O)C1=CC=CC=C1)=CC2=CC(=C(OC(C)=O)C(=C2)C)OC~   13.924
27843 COC1=C(OC)C2=C(C=C1)[CH](OC2=O)[CH]3N(C)CCC4=CC5=C(OCO5)C(=C34)OC~   16.101
27844 CC1=C(N)C=CC(=C1)C(C2=CC=C(N)C(=C2)C)=C3C=CC(=N)C(=C3)C~   11.939
27845 CN(C)C1=CC=C(C=C1)C=NN(CC2=CC=CC=C2)C3=CC=CC=C3~    7.967
27846 C(NC(NCC1=CC=CC=C1)=NCC2=CC=CC=C2)C3=CC=CC=C3~   12.886
27847 CCC1=C(NC2=C3C=NN(C4=CC=CC=C4)C3=NC(=N2)C)C(=CC=C1)CC~   15.484
27849 CC1=CC2=CC=CC=C2N1C=CC3=[N+](C)C4=C(C=CC=C4)C3(C)C~   14.703
27850 CC1=C2C=C(CC3=CC=CC=C3)C=CC2=NC(=C1)N4CCCCC4~    8.955
27851 CCN(CC)C1=CC=C(C=CC2=CC(=C3C=CC=CC3=N2)C)C=C1~    9.311
27852 CN1CCN(CC1)[CH](C2=CC=CC=C2)C3=CC4=C(C=CC=C4)C=C3~   11.171
27853 CC1=CC2=C(C=CC=C2)C=[N+]1CC[N+]3=CC4=CC=CC=C4C=C3C~   14.325
27854 C(CC[N+]1=C2C=CC=CC2=CC=C1)C[N+]3=CC=CC4=C3C=CC=C4~   14.164
27855 C(CC[N+]1=CC2=CC=CC=C2C=C1)C[N+]3=CC4=C(C=CC=C4)C=C3~   14.164
27856 COC1=CC2=C(C=C1)N(CCCN(C)C)C3=C(S2)C4=C(C=CC=C4)C=C3~   11.542
27857 OCC[N+]1=CC=C(CCCN2C3=C(SC4=C2C=CC=C4)C=CC=C3)C=C1~   18.959
27858 CCOC1=CC=C(NC(=O)C2=C[N+](=CC=C2)CCC3=CC=CC=C3)C=C1~   18.542
27860 COC1=CC=C(C=C1)C(=NN=C(C2CC2)C3=CC=C(OC)C=C3)C4CC4~    6.845
27863 CC(=O)CC(=O)NC1=CC=C(C=C1C)C2=CC=C(NC(=O)CC(C)=O)C(=C2)C~   18.324
27864 CCOC(=O)C(NC(C)=O)([CH]1C2=CC=CC=C2C3=C1C=C(N)C=C3)C(=O)OCC~   17.282
27865 CCOC(=O)[CH](NC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)[CH]3N[CH](CS3)C(O)=O~   18.005
27866 COC(=O)[CH](CC1=CC(=CC=C1)N(CCO)CCO)N2C(=O)C3=CC=CC=C3C2=O~   17.369
27867 COC(=O)C[CH](N1C(=O)C2=CC=CC=C2C1=O)C3=CC=CC(=C3)N(CCO)CCO~   18.668
27869 CCOC(=O)C(CCC1=CC=C(C=C1)[N+]([O-])=O)(CCC2=CC=C(C=C2)[N+]([O-])=O)C(C)=O~   13.306
27871 O=C1[CH]2[CH]3C[CH](C=C3)[CH]2C(=O)N1CCOS(=O)(=O)OCCN4C(=O)[CH]5[CH]6C[CH](C=C6)[CH]5C4=O~   21.086
27872 OC(=O)[CH](CSSC[CH](NC(=O)OCC1=CC=CC=C1)C(O)=O)NC(=O)OCC2=CC=CC=C2~   21.169
27873 CN(C)[CH]1[CH]2[CH](O)[CH]3C(=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O)C(=O)C4=C(O)C=CC=C4[C]3(C)O~   24.770
27874 CCN(CC)CCN1C2=C(SC3=CC=C4C=CC=CC4=C13)C=CC=C2~   10.190
27875 CCN(CC)CCN1C2=C(SC3=C1C=CC4=C3C=CC=C4)C=CC=C2~   10.190
27876 CN(C)CCCN1C2=C(SC3=C1C=CC4=C3C=CC=C4)C=C(C)C=C2~   10.271
27877 C1CN(CCN1CC2=CNC3=C2C=CC=C3)CC4=CNC5=C4C=CC=C5~   17.728
27878 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(NS(=O)(=O)C3=CC=C(NC(C)=O)C=C3)N=C(C)C(=N2)C~   22.860
27879 COC1=CC=C(C=C1)C(C2CC2)=C(C3CC3)C4=CC=C(OC)C=C4~    6.192
27880 CC(C)C1=CC=C(C=C1)C(=O)CCC(=O)C2=CC=C(C=C2)C3CC3~    8.539
27884 OC(=O)[CH](C1=CC=CC=C1)C2(O)CCC(O)(CC2)[CH](C(O)=O)C3=CC=CC=C3~   18.943
27887 COC1=CC=C(C=C1OC)[CH]2[CH]([CH](CC3=C2C=C(OC)C(=C3)OC)C(O)=O)C(O)=O~   18.554
27888 COC1=C(OC)C(=CC(=C1)C[CH]([CH](C)C(=O)C2=CC3=C(OCO3)C=C2)C(O)=O)OC~   17.479
27891 O=C(C[CH](N1CCCCC1)C2=CC=CC=C2)C=CC3=CC=CC=C3~   10.193
27892 C[CH]1CCN(CC1)[CH](CC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3~   10.629
27893 C[CH]1CCCCN1[CH](CC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3~   10.629
27895 OCCN(CCO)[CH](CC1=CC=CC=C1)C2=C3C=CC=CC3=CC=C2~   13.138
27897 CC1=CC(=C(C(=C1)C)C(=O)C=C(N)C(=O)C2=C(C)C=C(C)C=C2C)C~   11.474
27898 CCCCCC(C=NC1=C(C=CC=C1)C(=O)OC)=CC2=CC=CC=C2~    5.648
27899 O[CH]1CCCC[CH]1[C]2(CN(CC3=CC=CC=C3)C2=O)C4=CC=CC=C4~   13.863
27901 CCOC(=O)C1(CCN(CC1)CC(=O)C2=CC=CC=C2)C3=CC=CC=C3~   10.593
27905 COC1=CC=C2C(=CC1=O)[CH](CCC3=CC(=C(OC)C(=C23)OC)OC)NC(C)=O~   16.747
27907 CC1(C)CCCN1CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3~    9.623
27910 OCCNCCN[CH](CC1=CC=CC=C1)C2=C3C=CC=CC3=CC=C2~   15.690
27913 CCOC(=O)C1=C(C)N(CC2=CC=CC=C2)C3=C1C=C(O)C(=C3)CN(C)C~   15.086
27914 CCOC(=O)NC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)N(CC)CC~   13.457
27915 COC(=O)C1=CO[CH](C)[CH]2CN3CCC4=C(NC5=CC(=CC=C45)OC)[CH]3C[CH]12~   14.812
27917 C(CCCCC1=NC2=CC=CC=C2N1)CCCC3=NC4=CC=CC=C4N3~   10.790
27918 CCN(CC)C1=CC=C(C=C1)C=NC2=C(C)N(C)N(C3=CC=CC=C3)C2=O~   11.384
27921 CC(=NNC(=O)CCSCCC(=O)NN=C(C)C1=CC=CC=C1)C2=CC=CC=C2~   14.381
27922 COC1=CC=C(C=C1)C=NNC(=O)CCCCC(=O)NN=CC2=CC=C(OC)C=C2~   14.987
27923 COC1=CC=C(C=C1)C=NNC(=O)CCSCCC(=O)NN=CC2=CC=C(OC)C=C2~   17.083
27925 OC1=C(C=CC=C1)C=NNC(=O)CCCSCCCC(=O)NN=CC2=C(O)C=CC=C2~   22.347
27927 NC(=O)[CH](CSSC[CH](NC(=O)OCC1=CC=CC=C1)C(N)=O)NC(=O)OCC2=CC=CC=C2~   24.550
27929 OCC1OC(OC2OC=CC3C(OC(=O)C4=CC=C(O)C=C4)C5OC5(CO)C23)C(O)C(O)C1O~   26.474
27930 O=C(CCCCCCCCC(=O)C1=CC=CC=C1)C2=CC=CC=C2~    8.022
27932 CCC(=O)OC1=CC=C(C=C1)C(C)(CC)C2=CC=C(OC(=O)CC)C=C2~    6.544
27933 COC(=O)C=C1CC[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[CH]3C(=O)C[C]12C~   10.520
27934 CCOC(=O)[CH](SC1=CC=C(C)C=C1)[CH](SC2=CC=C(C)C=C2)C(=O)OCC~   11.267
27936 COC1=CC=C(C=C1OC)[CH]2OC[CH]3[CH]2CO[CH]3C4=CC=C(OC)C(=C4)OC~   13.336
27937 COC1=C(OC)C=C(C=C1)[CH]2OC[C]3(O)[CH]2CO[CH]3C4=CC=C(OC)C(=C4)OC~   17.772
27939 COC1=CC(=CC(=C1OC)OC)[CH]2[CH](CO)[CH](CO)[CH](O)C3=C2C=C4OCOC4=C3~   17.069
27940 CCOC(=O)C(=CC1=CC=C(C=C1)C=C(C(=O)OCC)C(=O)OCC)C(=O)OCC~   13.654
27941 COC1=CC(=CC(=C1OC)OC)CC(=O)OC(=O)CC2=CC(=C(OC)C(=C2)OC)OC~   14.002
27943 CN1[CH]2CC[CH]1CC(C2)O[CH](C3=CC=CC=C3)C4=CC=C(C)C=C4~    8.609
27944 CCCCCCCCCC(=O)N1C2=C(SC3=C1C=CC=C3)C=CC=C2~    8.091
27945 COC1=CC=C(C=C1)C=N[CH]2[CH](O[CH](COC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O)OC(C)=O~   17.824
27946 CC(=O)OC[CH]1O[CH](OC(C)=O)[CH](NC(=O)OCC2=CC=CC=C2)[CH](OC(C)=O)[CH]1OC(C)=O~   21.342
27947 CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)C(=O)NC1=CC=CC=C1~   19.983
27949 CCCCCCCCOC(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2~    9.388
27950 COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC(=CC=C2)CN3CCCCC3~   11.824
27951 COC1=CC2=C(C=C(C)[N+](=C2C=C1OC)C)C3=CC(=C(OC)C(=C3)OC)OC~   18.045
27952 CCN(CC)CCCN(C1=CC=CC=C1)C2=NC3=C(C=CC=C3)C=C2~   11.373
27953 CCCCN(CCCC)C(=N)C1=C2C=CC=CC2=NC3=C1C=CC=C3~   11.219
27954 CCN(CC)C1=CC=C(CNC2=CC(=NC3=CC=C(OC)C=C23)C)C=C1~   13.103
27956 COC1=CC(=C2N=CC=CC2=C1)NCCN(C)[CH](C)CC3=CC=CC=C3~   14.529
27957 O=C([CH]([CH](N1CCOCC1)C2=CC=CC=C2)N3CCOCC3)C4=CC=NC=C4~   18.499
27958 C[C]1(O)[CH]2[CH](O)[CH]3[CH](C(=C(C(N)=O)C(=O)[C]3(O)C(=C2C(=O)C4=C(O)C=CC=C14)O)O)[N+](C)(C)N~   35.631
27959 CC(C)(CC(C(N)=O)(C1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3~   13.059
27960 CC1(C)CCCN1CCC(C(N)=O)(C2=CC=CC=C2)C3=CC=CC=C3~   13.059
27961 CCCN(CCC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1~   13.046
27962 CCOC1=CC=C(NC(=O)[CH]2CCCN(CCC3=CC=CC=C3)C2)C=C1~   13.575
27964 CCN(CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1)CC(C)(C)O~   17.483
27965 CCN(CC)C[CH](O)CNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1C~   17.564
27966 CCCCN(CCO)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1~   17.483
27967 COCCOC1=CC2=C(C=CN=C2C=C1)[CH](O)[CH]3C[CH]4CCN3CC4=CC~   16.730
27970 CN(CCN(C)C[CH]1COC2=C(O1)C=CC=C2)C[CH]3COC4=C(O3)C=CC=C4~   15.268
27971 CNC(=O)OC1=C(SC2=C(OC(=O)NC)C=C(C=C2)C(C)C)C=CC(=C1)C(C)C~   11.175
27973 CCOC1=CC=C(NC(=O)N2CCN(CC2)C(=O)NC3=CC=C(OCC)C=C3)C=C1~   22.536
27975 COC1=CC2=NC3=CC(=CC=C3C(=C2C=C1OC)NCCCNCC(C)(C)O)[N+]([O-])=O~   22.611
27976 CC(C)C1=CC=C(C=C1)C=NNC(=N)C(=N)NN=CC2=CC=C(C=C2)C(C)C~   12.785
27977 CN(C)C1=CC=C(C=C1)C=NNC(=O)CSCC(=O)NN=CC2=CC=C(C=C2)N(C)C~   18.470
27978 CC1=CC(=C(CCCC(=O)C2=C(C)C=C(C)C=C2C)C(=C1)C)C~    5.599
27980 CCCC(=O)OC1=C(C=C(C=C1)C(C)(C)C)[CH](C)C2=CC=CC=C2~    4.457
27984 CC[CH]1[CH](C)[CH](C2=CC=C(OC)C(=C2)OC)C3=CC(=C(OC)C=C13)OC~    8.052
27986 COC1=C[CH](C)[CH]2C[CH]3OC(=O)C[CH]4C(=C(OC)C(=O)[CH]([C]34C)[C]2(C)C1=O)C~   10.873
27988 CC(C)C1=CC2=C(C=C1C(C)=O)[C]3(C)CCC[C](C)(C#N)[CH]3CC2~    7.742
27991 CCCCN(CCCC)[CH](C1=CC=CC=C1)C(=O)C2=CC=CC=C2~    7.368
27992 OCCC[CH]1CCCCN1[CH](CC2=CC=CC=C2)C3=CC=CC=C3~   10.554
27993 OCCC[CH]1CCN(CC1)[CH](CC2=CC=CC=C2)C3=CC=CC=C3~   10.554
27994 CCC[C](O)([CH]([CH]1CCCCN1)C2=CC=CC=C2)C3=CC=CC=C3~   10.772
27995 CC[CH](CN(CC)CC)C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2~    9.180
27996 CCN(CC)CCC(C(=O)CC)(C1=CC=CC=C1)C2=CC=CC=C2~    9.180
27997 CC(C)N(CCOC1=CC=C(C=C1)C=CC2=CC=CC=C2)C(C)C~    7.824
27998 COC1=CC=C(CN[CH]2[CH](O[CH](COC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O)OC(C)=O)C=C1~   20.288
27999 CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)C#N~   18.320
28000 CN1CCC(CC1)(C2=C(C)C(=C(C)C=C2)O)C3=C(C)C(=C(C)C=C3)O~   14.405
28002 CCC(=C(CC)C1=CC=C(O)C(=C1)CN(C)C)C2=CC=C(OC)C=C2~   11.745
28004 OCCOC1=C(C=CC=C1)[CH](CC2=CC=CC=C2)NC3CCCCC3~   12.124
28006 CC[CH](COC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)N(CC)CC~    8.631
28007 CC(C)C(=O)OCCN(CCC1=CC=CC=C1)CCC2=CC=CC=C2~    8.631
28008 CC1=CC=CC(=C1O)CN(CC2=C(O)C(=CC=C2)C)C3CCCCC3~   14.243
28011 CCN(CC)CCOC(=O)[C](O)(C1=CC=CC=C1)C2=CC(=C(C)C=C2)C~    9.599
28012 CCN(CC)CCOC(=O)C(O)(C1=C(C)C=CC=C1)C2=C(C)C=CC=C2~    9.599
28013 COC1=CC=C(C=C1)C(O)(C[CH]2CCCCN2C)C3=CC=C(OC)C=C3~   13.256
28015 CC(C)COC(C(=O)OCCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2~    9.836
28016 COC1=C(OC)C2=C(C=C1)C=CC3=C(OC)C=CC(=C23)CC[N+](C)(C)C~   19.254
28017 CCN(CC)CC[C](O)(CC1=CC=CC=C1)[CH](C(O)=O)C2=CC=CC=C2~   15.451
28018 CN1C2CC(CC1C3OC23)OC(=O)C(COC(=O)C(C)(C)C)C4=CC=CC=C4~   13.292
28019 C[C]12CC(=O)[C]3(SC(N)=O)[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[C]2(O)C(=O)CO~   14.198
28020 CCN(CC)CCC[CH](C)NC1=C2C=CC=CC2=NC3=CC=CC=C13~   12.848
28021 COC1=CC=C(C[CH](N)C(=O)N[CH]2[CH](O)[CH](O[CH]2CO)N3C=NC4=C(N=CN=C34)N(C)C)C=C1~   30.226
28024 CCN(CC)CCC(C(=O)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2~   12.267
28026 C[CH]1CN(CCCCO)CCN1C(C2=CC=CC=C2)C3=CC=CC=C3~   14.105
28028 CCCC1N(CCN1CC2=CC=C(OC)C=C2)CC3=CC=C(OC)C=C3~    9.870
28030 C(COC1=CC=CC=C1)CN2CCN(CCCOC3=CC=CC=C3)CC2~   12.210
28031 CN(C)C(=O)OC1=C(C[N+]2(C)CCCCC2)C=C(C=C1)C3=CC=CC=C3~   19.658
28032 O[CH](CN1CCN(CC1)C[CH](O)CC2=CC=CC=C2)CC3=CC=CC=C3~   15.542
28033 CCCCCCCCCC1=CC=[N+](CC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1~   15.075
28034 CCCN(CCC)C1=CC=C(NC(=O)C2=CC(=C(OC)C(=C2)OC)OC)C=C1~   13.903
28035 C[CH]1CN(CSC2=CC=C(C)C=C2)[CH](C)CN1CSC3=CC=C(C)C=C3~    7.646
28037 CN1C(=O)N(C)C2=C(N=C(CCCCCCCCC3=NC4=C(N3)N(C)C(=O)N(C)C4=O)N2)C1=O~   24.672
28039 CC(C)C1=C(OCCOC2=C(C=CC(=C2)C)C(C)C)C=C(C)C=C1~    5.074
28040 CCCCCCCCCCCC(=O)OC1=CC2=C(C=CC=C2)C=C1~    3.967
28041 CC1=C(SC2=CC(=C(O)C=C2C)C(C)(C)C)C=C(C(=C1)O)C(C)(C)C~   11.559
28045 C=CCCCCCCCCC(=O)O[CH](CC=C)C1=CC2=C(OCO2)C=C1~    6.562
28047 CCC(=O)O[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3C(=O)C[C]12C~    9.936
28048 C[CH]1C[CH]2[CH]3CC[C](O)(C(=O)CO)[C]3(C)C[CH](O)[CH]2[C]4(C)C=CC(=O)C=C14~    7.445
28049 CC1=C(C)C=C(C=C1)C([CH](O)[CH](O)[CH](O)[CH](O)CO)C2=CC(=C(C)C=C2)C~   12.717
28050 O=C(OCCC[CH]1CCCO1)C2=C(C=CC=C2)C(=O)OCCC[CH]3CCCO3~   10.893
28052 CCCCN(CCCC)C[CH](O)C1=CC=C(C=C1)C2=CC=CC=C2~   10.220
28053 CCN(CC)CC1=CC(=CC(=C1O)C2=CC=CC=C2)C(C)(C)CC~    9.848
28055 CCO[CH](CN(CC)CC)C1=CC=C(CCC2=CC=CC=C2)C=C1~    7.896
28056 C[N+]1(CCCC[CH]1CCO)[CH](CC2=CC=CC=C2)C3=CC=CC=C3~   18.821
28057 CCCCCCCCN[CH]([CH](O)C1=CC=CC=C1)C2=CC=CC=C2~   10.418
28058 CC(C)N(C[CH](C1=CC=CC=C1)[C](C)(O)C2=CC=CC=C2)C(C)C~   10.199
28059 CCCN(CCC)C[CH](O)C1=C2C=CC=CC2=C3CCCCC3=C1~   10.386
28061 CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)C(N)=O~   24.726
28062 C[CH]1CC[CH](C)N1CCOC(=O)[CH]([CH]2CCCC=C2)C3=CC=CC=C3~    7.567
28063 CC1(C)CCN(CCOC(=O)[CH]([CH]2CCCC=C2)C3=CC=CC=C3)C1~    7.567
28064 CC[CH]1CCCN1CCOC(=O)[CH]([CH]2CCCC=C2)C3=CC=CC=C3~    7.567
28065 C[CH]1CC(C)(C)CN1CCOC(=O)[CH]([CH]2CCC=C2)C3=CC=CC=C3~    7.567
28066 C[CH](CCN1CCCC1)OC(=O)[CH]([CH]2CCCC=C2)C3=CC=CC=C3~    7.567
28067 C[CH](COC(=O)[CH]([CH]1CCCC=C1)C2=CC=CC=C2)CN3CCCC3~    7.567
28068 O=C(OCCCCN1CCCC1)[CH]([CH]2CCCC=C2)C3=CC=CC=C3~    7.567
28069 C[CH]1CN(CCOC(=O)[CH]([CH]2CCCC=C2)C3=CC=CC=C3)C[CH]1C~    7.567
28070 C[CH]1CN(CCOC(=O)[CH]([CH]2CCC=C2)C3=CC=CC=C3)C(C)(C)C1~    7.567
28072 C[CH]1CCN(CCOC(=O)[CH]([CH]2CCCC=C2)C3=CC=CC=C3)[CH]1C~    7.567
28074 CCCCN(CCCC)CCC(=O)C1=C2C=CC=CC2=C(OC)C=C1~    9.690
28076 CCC[CH](O)[CH](CC)N[CH](CC1=CC=CC=C1)C2=CC=C(OC)C=C2~   11.770
28077 CCC[CH](O)C(C)(C)N[CH](CC1=CC=CC=C1)C2=CC=C(OC)C=C2~   11.770
28079 CCCCCCCCS(=O)(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2~    6.317
28081 COC1=CC(=C2N=CC=CC2=C1)NCCCCCCN(CC=C)CC=C~   12.955
28082 CCCN1CCN(CCCOC(=O)NC2=C3C=CC=CC3=CC=C2)C[CH]1C~   14.896
28083 CC(C)N1CCN(CCCOC(=O)NC2=C3C=CC=CC3=CC=C2)C[CH]1C~   14.896
28084 CC(=O)N(CCC1=CC=CC=C1)C(=S)NC(=O)N(C2CCCC2)C3CCCC3~   12.939
28085 CCCC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C~   24.310
28087 CCCCN(CC1=CC=CC=C1)CC2=CC=C(C=C2)N(CC)CC~    7.807
28088 CCN(CC)C1=CC=C(CCC2=CC=C(C=C2)N(CC)CC)C=C1~    6.301
28089 CCNC(=O)C(C[CH](C)[N+](C)(C)C)(C1=CC=CC=C1)C2=CC=CC=C2~   20.750
28090 CC[N+](CC)(CC)CCC(C(N)=O)(C1=CC=CC=C1)C2=CC=CC=C2~   20.971
28093 C[CH](CC(C(=O)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)[N+](C)(C)C~   20.532
28094 CC[N+](C)(CC)CCC(C(=O)NC)(C1=CC=CC=C1)C2=CC=CC=C2~   20.750
28095 CCN(CC)CCCN[CH](CC1=CC=CC=C1)C2=CC=C(OC)C=C2~   10.883
28096 COC1=CC=C(C=C1)[CH](CC2=CC=CC=C2)NC(C)(C)CNC(C)C~   11.101
28097 CC(C)(CO)NCC(C)(C)N[CH](CC1=CC=CC=C1)C2=CC=CC=C2~   14.186
28098 CCCCCCCCN(C[CH](O)C1=CC=NC=C1)CC2=CC=CC=C2~   12.959
28099 OCCN(CCO)S(=O)(=O)C1=CC=C(OCCOC2=CC=C(C=C2)S(=O)(=O)N(CCO)CCO)C=C1~   20.839
28103 CN(CCCOC1=CC=CC=C1)CCN(C)CCCOC2=CC=CC=C2~   11.854
28104 CCN(CCOC1=CC=CC=C1)CCN(CC)CCOC2=CC=CC=C2~   11.854
28105 CCO[CH](CC)C(O)(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C~   12.793
28106 C1CCC(CC1)N2COC3=C(C2)C=CC4=C3OCN(C4)C5CCCCC5~    9.086
28110 C[CH](C=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C~    6.804
28111 C[CH](C=C)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[CH]4[CH]3CC[C]12C~    8.211
28113 C[CH]1C[C]2(C)[CH]3CC[C]4(C)[CH](CC[CH]4C(C)=O)[CH]3CCC2=CC1=O~    7.064
28114 CC(CO)=C1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C~    7.996
28115 C[CH]1C[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]2(C)[CH]1C(C)=O~    7.064
28116 C[CH]1CC2=CC(=O)CC[C]2(C)[CH]3CC[C]4(C)[CH](CC[CH]4C(C)=O)[CH]13~    7.064
28117 CC(C)C1=CC=CC(=C1OC(=O)[CH]2[CH](C=C(C)C)C2(C)C)C(C)C~    2.967
28118 CCC(=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C~    7.064
28120 CCC(=O)O[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C~    6.516
28121 CCC(=O)O[CH]1CC[CH]2[CH]3CC[CH]4CC(=O)C=C[C]4(C)[CH]3CC[C]12C~    6.588
28122 C[CH]1C[CH]2[CH]3CCC(=CCO)[C]3(C)C[CH](O)[CH]2[C]4(C)CCC(=O)C=C14~    9.504
28124 CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C=CC(O)=O~    9.220
28126 CCC(=O)O[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C~   10.955
28127 CCC(=O)O[CH]1CC[CH]2[CH]3CC[C]45O[CH]4C(=O)CC[C]5(C)[CH]3CC[C]12C~    8.320
28128 CC(=O)O[CH]1C[C]2(C)[CH](CC[C]2(C)O)[CH]3CCC4=CC(=O)CC[C]4(C)[CH]13~   10.955
28130 C[CH]1C[CH]2[CH]3CC[C](O)(C(=O)CO)[C]3(C)C[CH](O)[CH]2[C]4(C)CCC(=O)C=C14~    7.115
28132 CC(=O)O[CH]1CC(=CCCC(=CCC[C](C)(O)[CH]2C[CH]1C(=C)C(=O)O2)C)C~    9.733
28133 CCCCN(CCCC)CC[C](C)(O)C1=C2C=CC=CC2=CC=C1~    9.870
28134 CCCN(CCC)CC(C)(C)[CH](O)C1=C2C=CC=CC2=C(OC)C=C1~   11.221
28135 CC(C)(COC(=O)C1(CCCCC1)C2=CC=CC=C2)CN3CCOCC3~    9.565
28136 CCCCCCN(CCCCCC)C(=N)C1=C2C=CC=CC2=NC=C1~    9.717
28137 CN1C=C(CCC2=CC=[N+](CCC[N+](C)(C)C)C=C2)C3=CC=CC=C13~   18.406
28138 COC1=CC(=C2N=CC=CC2=C1)NCCCCCCC[CH]3CCCCN3~   13.272
28139 COC1=CC(=C2N=CC=CC2=C1)NCCCN(CC(C)C)C3CCCC3~   13.053
28141 COC1=CC(=C2N=CC=CC2=C1)NC[CH](O)CN(CC(C)C)C3CCCC3~   17.489
28142 CC1(C)CCC(C)(C)C2=C1C=C3C(=C2)C(C)(C)CCC3(C)C~    1.333
28143 C[N+]1(CCC2=CC=CC=C2)CC[N+](C)(CCC3=CC=CC=C3)CC1~   20.199
28145 CCCCN(CCCC)CCC[CH](O)C1=C2C=C(OC)C=CC2=NC=C1~   13.983
28146 NC1=CC=C(C=C1)C(=O)OCCCN(C2CCCCC2)C3CCCCC3~   10.451
28147 O=C(OCCN1CCCCC1)[CH](OCCN2CCCCC2)C3=CC=CC=C3~   12.267
28149 CCCCCC(=O)C1=CC=C(OCCCN2CCN(CC2)C(=O)OCC)C=C1~   14.499
28153 CCC[CH]1[CH](CC)C(=C(CCC)CC1=NNC2=C(N)C=C(C=C2)[N+]([O-])=O)CC~    9.570
28154 CCC(=O)C1=CC2=C(C=C1C(C)C)[C](C)(CC)CC[C]2(C)CC~    3.883
28155 CC(C)=C(OC(=O)C1=CC=CC=C1)[C](C)(CC(C)(C)C)C(C)(C)C~    1.821
28156 COC1=CC(=C(OC)C=C1C2(C)CCCCC2)C3(C)CCCCC3~    3.873
28157 C[CH](C=O)[CH]1CC[CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3CC[C]12C~    6.548
28160 C[C]1(O)CC[CH]2[CH]3CC=C4C(C)(C)C(=O)CC[C]4(C)[CH]3CC[C]12C~    7.810
28161 CO[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](CC[CH]4C(C)=O)[CH]3CC=C2C1~    5.428
28164 CC[C]1(O)CCC[CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3C(=O)C[C]12C~   11.245
28167 CCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OC[CH](CC)CCCC~    5.174
28168 CCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC(C)C~    5.174
28170 C[CH]1C[CH]2[CH]3CC[CH](C(C)=O)[C]3(C)C[CH](O)[CH]2[C]4(C)CCC(=O)C[C]14O~   12.682
28172 CCCCCCCCCCCCCCOC(=O)C1=C(C=CC=C1)C(O)=O~    7.556
28174 COC(=O)CCC1(CCCC(CCC(=O)OC)(CCC(=O)OC)C1=O)CCC(=O)OC~   13.801
28176 C[CH]1CC(C)(C)CN1CCOC(=O)[CH]([CH]2CCCC=C2)[CH]3CCC=C3~    6.148
28177 CCCCCCCCCC[CH](N1CCOCC1)C(=O)C2=CC=CC=C2~    7.947
28178 CC12CCCC3(C=[N+](CCO)C1)C2CCC45CCC(CC34)C(=C)C5O~   15.827
28179 C[CH]1CCC[CH](C=C[CH]2[CH]3CCCC[CH]3C[CH]4[CH]2[CH](C)OC4=O)N1C~    6.447
28180 CCCCCCCCCCCCNC(=O)C=CC1=CC=C(OC)C=C1~    9.111
28181 C[N+]1(CCCCC1)CCOC(=O)[C](O)(C2CCCCC2)C3=CC=CC=C3~   16.583
28184 CCCCOCCOCCOCCOCCCN1C(=O)[CH]2[CH]3C[CH](C=C3)[CH]2C1=O~   14.149
28185 CCCCCCCCCCCCCCCC1=NC2=CC=CC=C2S1~    4.662
28186 CCC[CH](C)N(CCCNC1=C2N=CC=CC2=CC(=C1)OC)CC(C)C~   12.697
28187 CCCC[CH](C)N(CCNC1=C2N=CC=CC2=CC(=C1)OC)CC(C)C~   12.697
28188 CCCCCN(CCCCC)CCNC1=C2N=CC=CC2=CC(=C1)OC~   12.697
28189 CCCCN(CC(C)C)C[C](C)(O)CNC1=C2N=CC=CC2=CC(=C1)OC~   17.134
28191 COC1=CC(=C2N=C(C)C=CC2=C1)NC[CH](O)CN(CC(C)C)CC(C)C~   17.215
28193 CC[CH](C)N(CC(C)C)C[C](C)(O)CNC1=C2N=CC=CC2=CC(=C1)OC~   17.134
28194 COC1=CC(=C2N=CC=CC2=C1)NC[C](C)(O)CN(CC(C)C)CC(C)C~   17.134
28195 CCCCCN(CCCCC)C(=O)NC(=S)N(CCC1=CC=CC=C1)C(C)=O~   12.228
28196 CCCCCCCCCCCC1=NC(C)(C)CN1C2=CC=CC=C2~    4.005
28198 CC1=CC=[N+](CCCCCCCCCC[N+]2=CC=C(C)C=C2)C=C1~   11.320
28199 COC1=CC2=C(C=C1)N(CCCCCCCN3CCCCC3)CCC2~    8.038
28200 C(CCCN1CCNCC1)CCOC2=CC=C(C=C2)C3CCCCC3~    9.762
28201 CN(CC1=C(O)C=C(CN(C)C2CCCCC2)C(=C1)O)C3CCCCC3~   16.239
28202 CCC[CH](C)C1=CC=C(OCCCCN2CCN(CC2)C(=O)OCC)C=C1~   11.593
28205 CN(C)C1CCC(CC1)NC2=CC(=O)C(=CC2=O)NC3CCC(CC3)N(C)C~   19.056
28208 CCCCCCCCCCOC(=O)COC1=CC=C(C=C1)C(C)(C)C~    3.750
28209 COC(C[C](C)(O)C#CC[C](C)(O)C=CC1=C(C)CCCC1(C)C)OC~    9.449
28210 CCCCCCCCCCCCCCCC(=O)OCC1=CC(=O)C(=CO1)O~    6.085
28211 CC(=O)O[CH]1[CH]2CC[CH]3[C](C)(O)[CH]4C[CH](O)C(C)(C)[C]4(O)[CH](O)C[C]13C[C]2(C)O~   13.025
28212 CCCCN(CCCC)C[CH](O)C1=CC=C(C=C1)C2CCCCC2~    8.804
28213 CCN(CC)CC1=CC(=CC(=C1O)C2CCCCC2)C(C)(C)CC~    8.429
28214 CC(C)C1=CC=CC(=C1OCC(C)(C)CN2CCCCC2)C(C)C~    5.717
28215 CC1=C(CNC2CCCCC2)C(=C(C=C1C(C)(C)C)C(C)(C)C)O~    8.728
28216 CC1=CC(=C(OCCCN2CCOCC2)C(=C1)C(C)(C)C)C(C)(C)C~    7.854
28218 CCCCCCCCCC[CH]([CH](O)C1=CC=CC=C1)N2CCOCC2~   10.777
28220 CCCCCCCCCCCCCCOC(=N)C1=CC(=C(O)C=C1)OC~    9.292
28221 CCCOC1=CC(=CC(=C1OCCC)OCCC)C(=O)OCCN(CC)CC~   10.341
28222 CCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C#N~    9.991
28224 CCCCCCCCCCCC(=O)NC1=CC=C(C=C1)N(CC)CC~    8.532
28226 CC(C)(C)C1CCC(O)(CC1)C#CC2(O)CCC(CC2)C(C)(C)C~    6.339
28227 CCCCCCCCCCCCCCCCCC=C1CC(=O)OC1=O~    2.845
28228 COC(C[C](C)(O)C=CC[C](C)(O)C=CC1=C(C)CCCC1(C)C)OC~    8.300
28230 C[CH](CC[CH]1CCCO1)OC(=O)CCCCC(=O)O[CH](C)CC[CH]2CCCO2~   10.008
28231 CCC(=O)OCCC[CH](CC[CH](CC[CH]1CCCO1)OC(=O)CC)OC(=O)CC~   10.467
28232 CCCCCCCCCCCCCCC[CH](N)C1=CC=CC=C1~    4.368
28234 CCCCCC=CCC=CCCCCCCCC1=N[C](C)(CO)CO1~    6.812
28235 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC=CO1~    5.281
28236 CCCCN(CCCC)C[CH](CN(CC)CC)OC(=O)NC1=CC=CC=C1~   13.040
28237 CCCCCCCCCCCC[N+]1(C)CCC[CH]1C2=CN=CC=C2~   15.312
28239 O=C(CCCCCCCCC(=O)CN1CCCCC1)CN2CCCCC2~   10.599
28240 CCN(CC)CC(CN(CC)CC)N(C)CC(=O)NC1=C(C)C=CC=C1C~   16.000
28241 CN1N=CC2=C(NC(C)(C)CC(C)(C)C)N=C(NC(C)(C)CC(C)(C)C)N=C12~    9.328
28242 CCCCCCCCC#CCCCCCCCCCCCC(O)=O~    5.005
28243 CCCCCCCCCCCCOC(=O)C[CH]1C[CH](C(C)=O)C1(C)C~    5.192
28244 CCCCCCCCC(=O)O[CH](CC[CH]1CCCO1)CC[CH]2CCCO2~    7.139
28245 CCCOC(=O)C[CH](C(=O)OCCC)C(C)(C)C=C(C)C[CH](C)CCC~    4.272
28246 CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1C~    7.936
28247 CCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C~    7.936
28248 CCCCCCCCCCCCCCCC[N+]1=CC=C(C)C=C1~    7.936
28249 CCCCCN(CCCCC)CC(=O)O[CH]1C[CH]2CC[C]1(C)C2(C)C~    4.380
28250 CCC[CH](C1CCCC1)C(=O)OCC[N+]2(C)CCCC23CCCCC3~   14.301
28251 CCCCCCCCC=CCCCCCCCC(=O)NC(C)(C)C(O)=O~    9.279
28252 CCCC[CH](CC)C(=O)O[CH](C)CNC(=O)[CH](C)OC(=O)[CH](CC)CCCC~   10.161
28254 CCN(CC)CCOC(=O)[CH]1CCCN2C[CH](CC[CH]12)[CH]3CCCCN3C~   13.137
28256 C[CH](C[CH](NCCN[CH](C[CH](C)CC(C)(C)C)C#N)C#N)CC(C)(C)C~   13.097
28257 N=C(CCCCCCCCC(=N)NC1CCCCC1)NC2CCCCC2~    9.845
28258 CCCCCCCCC=CCCCCCCCC(=O)OCCCC~    1.474
28260 CCCCCC[CH](O)CC=CCCCCCCCC(=O)OCCCC~    5.910
28261 CCCCCCCC[CH]1O[CH]1CCCCCCCC(=O)OCCCC~    4.329
28262 CCCCCCCCCCCCCC(=O)OCCCC[CH]1CCCO1~    4.728
28263 CCOC(=O)CCCCCCCCCCCCCCCCC(=O)OCC~    4.287
28264 CCCCCC[CH](C)OC(=O)CCCCC(=O)O[CH](C)CCCCCC~    4.287
28265 CCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCC~    4.287
28266 CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC~    4.287
28267 CCCCCC[CH](O)CC=CCCCCCCCC(=O)OCCOCCO~    9.402
28268 CCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCC~    8.397
28269 CCCC[CH](CC)COC(=O)CCS(=O)(=O)CCC(=O)OC[CH](CC)CCCC~    8.483
28270 CCC[CH](C)C1CCC(CC1)NC2CCC(CC2)[CH](C)CCC~    3.029
28271 CCCCCCCCCCCC1=NC[CH](C[CH](C)CC(C)(C)C)O1~    2.264
28272 CCCCCCCCCCCCCCCCCC1=N[CH](CC)CO1~    2.264
28273 CCCCCCCCCCCCCCCCCC1=NC(C)(C)CO1~    2.264
28274 CCCCCCCCCCCCCCCCN1CCCCCC1=O~    5.409
28275 CCCCCCCCCCCCCCCCCC1=N[C](C)(CO)CO1~    6.701
28277 CCCCCCCCCCCCCCCCCC[CH](NC(C)=O)C(O)=O~    9.223
28278 CCCCCCCCCCCCCCCCSC(=S)N1CCCCC1~    2.074
28279 CCCC[CH](CC)[CH](C#C[CH]([CH](CC)CCCC)N(C)C)N(C)C~    6.854
28280 CCCCCCCCCCCCCCCCCC1=NCCN1CCO~    8.197
28281 CCCCCCCCC=CCCCCCCCCCCCCO~    2.842
28285 CCCCCCCCCCCCCCCCCCCCCC(O)=O~    3.801
28286 CCCCCCCCCCCSCCCCCCCCCCC(O)=O~    5.896
28288 CCCCCCCCCCCS(=O)(=O)CCCCCCCCCCC(O)=O~    7.996
28289 CCCCCCCCCCCCCCCC(=O)OCCN(CC)CC~    4.971
28290 CCCCCCCCCCCCCCCCNCCCCCC(O)=O~    7.570
28291 CC(C)CCC[CH](C)CCN(CC[CH](C)CCCC(C)C)CC(O)=O~    6.051
28293 CCN(CC)CCNC(=O)CCCCCCCCC(=O)NCCN(CC)CC~   15.896
28296 CCCCCCCCCCCCCCCCCC(O)(CC)CC~    2.785
28299 CCCCCCCCCCCCCC[N+](C)(C)CCCCCC(O)=O~   15.616
28300 CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(O)=O~   14.316
28302 C[N+]1(CCCCCCCC[N+]2(C)CCCCCC2)CCCCCC1~   16.893
28303 C[N+]1(CCCCCCC1)CCCCCC[N+]2(C)CCCCCCC2~   16.893
28304 CCCCCCCCCCCCCCCCCC[N+](C)(C)CC~   10.365
28305 [O-][N+](=O)C1=CC=C2C3=CC=CC=C3C(=NC4=CC5=C(C=CC=C5)C=C4)C2=C1~    8.971
28306 OC1=CC=C2C=CC=CC2=C1N=NC3=CC4=C(C=C3)C5=CC=CC=C5C4=O~   13.726
28307 C1=CC2=C(C=C1)C=C(C=C2)N=C3C4=C(C=CC=C4)C5=CC=CC=C35~    6.569
28308 C1=CC2=CC=CC(=C2C=C1)N=C3C4=C(C=CC=C4)C5=CC=CC=C35~    6.569
28309 O=C1N(C2C3=C(OC4=C2C=CC=C4)C=CC=C3)C(=S)SC1=CC5=CC=CC=C5~   11.533
28310 C1C2=CC=CC=C2C3=C1C=C(C=C3)N=CC4=NC5=C(C=CC=C5)C=C4~    9.408
28311 C1C2=CC=CC=C2C3=C1C=C(C=C3)N=CC4=C5C=CC=CC5=NC=C4~    9.408
28312 O=C(OC(=NC1=CC=CC=C1)C2=C3C=CC=CC3=CC=N2)C4=CC=CC=C4~   11.227
28313 [N-]=[N+]=NCC(=O)C1=C2C=CC=C(C3=CC=CC=C3)C2=NC(=C1)C4=CC=CC=C4~   12.450
28314 OC1=C(N=NC2=CC(=CC=C2)[N+]([O-])=O)C3=C(C=CC=C3)C=C1C(=O)NC4=CC=CC=C4~   15.775
28316 O=C1C=C(C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=C1C=CC=C4~   10.697
28317 OC1=CC(C2=C(C=CC=C2)C1=O)=C(C3=CC=CC=C3)C4=CC=CC=C4~    8.481
28318 O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)C3C(=O)C4=CC=CC=C4C3=O~   13.585
28319 OC1=C(C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=C(C=CC=C4)C1=O~   10.604
28320 O=C(OCOC(=O)C1=C2C=CC=CC2=CC=C1)C3=C4C=CC=CC4=CC=C3~    9.807
28323 OC(=O)C1=C(O)C(=C2C=CC=CC2=C1)CC3=C(O)C(=CC4=CC=CC=C34)C(O)=O~   16.498
28324 C1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC=CC=C3)C4=CC=CC=C4~    8.496
28325 NC1(C2=C3C=CC=CC3=CC=C2)C4=C(C=CC=C4)C5=CC=CC=C15~    9.866
28326 C1C2=CC=CC=C2C=C1C3=C(NC4=C3C=CC=C4)C5=CC=CC=C5~    9.047
28327 O=C(O[CH](C1=CC=CC=C1)C2=C3C=CC=CC3=CC=N2)C4=CC=CC=C4~   10.539
28330 O=C1C[CH](SC2C3=C(C=CC=C3)C4=CC=CC=C24)C(=O)N1C5=CC=CC=C5~   11.500
28331 O=S(=O)(NC1C2=C(OC3=C1C=CC=C3)C=CC=C2)C4=CC5=C(C=CC=C5)C=C4~   10.232
28332 O=C(NC1=CC=C(C=C1)N=NC2=CC=CC=C2)C3=C4C=CC=CC4=CC=C3~   12.487
28333 OC1=C2C=CC(=CC2=CC(=C1N=NC3=CC=CC=C3)S(O)(=O)=O)NC(=O)C4=CC=CC=C4~   22.801
28335 C1=CC=C(C=C1)[CH]2C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4~    4.987
28336 O=C(NN(C1=CC=CC=C1)C2=C3C=CC=CC3=CC=C2)C4=CC=CC=C4~   11.590
28338 OC(=O)C1=C(N[CH](C2=CC=CC=C2)C3=C(O)C4=NC=CC=C4C=C3)C=CC=C1~   20.137
28340 [O-][N+](=O)C1=CC=C(C=C1)[CH](C#N)[CH](CC(=O)C2=CC=CC=C2)C3=CC=CC=C3~   12.735
28341 COC(=O)[CH](CCC(=O)CN1C(=O)C2=CC=CC=C2C1=O)N3C(=O)C4=CC=CC=C4C3=O~   20.314
28342 O=C(NN=CC1=C2C=CC=CC2=CC=C1)NN=CC3=C4C=CC=CC4=CC=C3~   12.790
28344 S=C(NN=CC1=C2C=CC=CC2=CC=C1)NN=CC3=C4C=CC=CC4=CC=C3~   10.154
28345 CC1=CC=C(C=C1)N=NC2=C(N)C3=C(O)C(=C(C=C3C=C2S(O)(=O)=O)S(O)(=O)=O)N=NC4=CC=C(C=C4)[N+]([O-])=O~   30.863
28347 OC1=C2C=CC=CC2=C(C=C1)C(C3=CC=CC=C3)C4=CC=CC=C4~    9.405
28348 OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=C4C=CC=CC4=CC=C3~    9.860
28350 O=C(CC(=O)C1=CC=CC=C1)C=C(C2=CC=CC=C2)C3=CC=CC=C3~   11.156
28351 O=C1O[CH]([CH]([CH]1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4~    9.200
28352 C(C=CC=CC1=NC2=C(C=CC=C2)C=C1)=CC=CC3=CC=CC=C3~    7.498
28353 OC(CC1=C2C=CC=CC2=CC=N1)(C3=CC=CC=C3)C4=CC=CC=C4~   12.620
28354 O=C(C[N+]1=CC2=CC=CC=C2C=C1)C3=CC=C(C=C3)C4=CC=CC=C4~   15.824
28355 O=C1[CH](CCC2=C1C=CC3=C2C=CC=C3)[N+]4=CC5=CC=CC=C5C=C4~   15.910
28356 COC1=CC=C(C=C1)[C](O)(C2=CC=CC=C2)C3=C4C=CC=CC4=CC=N3~   13.971
28357 CC(=O)O[CH](C(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2)C4=CC=CC=C4~   12.583
28358 CCOC(=O)C1=CC=C(C=C1)N(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3~   10.003
28359 C[CH]([CH](OC(=O)C1=C(C(O)=O)C(=CC=C1)[N+]([O-])=O)C2=CC=CC=C2)C3=CC=CC=C3~   13.499
28360 NC1=CC=C(C=C1)C(C2=CNC3=C2C=CC=C3)C4=CNC5=C4C=CC=C5~   15.432
28361 COC1=CC2=C(C=C1)N(CCC2)C3=C4C=CC=CC4=NC5=CC=CC=C35~   10.987
28362 CC1=C(NC2=CC=CC=C2)C(=O)N([CH]1C3=CC=CC=C3)C4=CC=CC=C4~   10.983
28363 OC(CC1=NNC(=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4~   13.004
28364 O=C(NOC(=O)C1=CC=CC=C1)[CH]2[CH]3C[CH](C=C3)[CH]2C(=O)NOC(=O)C4=CC=CC=C4~   14.775
28366 CC1=NC2=C(C=C(NC(=O)NC3=C(C=CC=C3)C4=CC=CC=C4)C=C2)C(=C1)N~   18.372
28367 CC1=C(NC(=S)NC(=O)C2=CC=CC=C2)C=C(NC(=S)NC(=O)C3=CC=CC=C3)C=C1~   14.996
28368 O=C1OC(=CC1=CC=CC2=CC=CC=C2)C3=CC4=C(CCCC4)C=C3~    6.133
28370 COC(=O)[CH](CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C3=CC=CC=C3~    9.717
28371 CC(C)(OC(=O)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3~    8.354
28372 OC1=C(C=CC=C1)C(CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3~   13.714
28373 O=C(OC[CH]1COC(O1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4~   10.041
28374 CCOC(=O)[C](SC1=CC=CC=C1)(C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3~   14.951
28375 CN(CC1=C2C=CC=CC2=CC=C1)CC3=C4C=CC=CC4=CC=C3~    8.644
28376 CC[CH](C(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2)C4=CC=CC=C4~   11.646
28377 COC1=CC=C(C=C1)C=CC2=NC(=CC=C2)C=CC3=CC=C(OC)C=C3~   10.886
28378 CN(CC1=C2C=CC=CC2=CC=C1O)CC3=C4C=CC=CC4=CC=C3O~   16.609
28379 CC(CCC1=NC2=CC=CC=C2S1)(C3=CC=C(O)C=C3)C4=CC=C(O)C=C4~   16.167
28380 O[C]1(OCCN([CH]1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4~   16.759
28382 O=C(O[C]1(OCCN[CH]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4~   12.456
28383 O=C(NC1=CC=CC=C1)OC[CH]2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4~   13.243
28384 CCO[CH](NC1=CC=C(C=C1)C(O)=O)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3~   13.424
28386 CC1=CC=C(C=C1)N=C(C(C2=CC=CC=C2)C3=CC=CC=C3)N4CC4~    8.595
28387 CCN(CC)C1=CC=C(C=C1)C2=C3C=CC=CC3=NC4=C2C=CC=C4~    9.839
28388 COC1=CC(=C2C=C(CC3=CC4=C(C=C3)N=C(OC)C=C4C)C=CC2=N1)C~   11.556
28390 CC(=O)C(C1=CC=CC=C1)(C2=C(C)C=CC=C2)C3=C(C)C=CC=C3~    7.498
28391 COC1=CC=C(C=C1)C=C(C2=CC=C(OC)C=C2)C3=CC=C(OC)C=C3~    8.939
28393 COC(=O)C1=C(C=CC=C1)C(C2=CC=C(OC)C=C2)C3=CC=C(OC)C=C3~    9.058
28395 COC1=CC(=C(OC(C)=O)C(=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3~   10.058
28396 CC1=CC(=C(C)C=C1O)C2(OS(=O)(=O)C3=C2C=CC=C3)C4=C(C)C=C(O)C(=C4)C~   16.510
28398 COC1=CC2=C(C=C1OC)[CH]3[CH](CO2)OC4=C(C=CC5=C4C[CH](O5)C(C)=C)C3=O~   12.951
28400 CN(CCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)CC3=CC=CC=C3~   10.398
28402 CC[CH](N[CH](C(=O)C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~    9.294
28403 CN(C)CC1=C(C=CC=C1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3~   10.456
28404 CC1=CC=C(C=C1)N=C(SCCO)C(C2=CC=CC=C2)C3=CC=CC=C3~   11.220
28407 CN(C)C1=CC=C(C=C1)C=C2C=C(OC2=O)C3=CC4=C(CCCC4)C=C3~    8.032
28410 O=C(CCN1CCOCC1)C2=C(OC(=C2)C3=CC=CC=C3)C4=CC=CC=C4~   12.585
28411 OCCN([CH]([CH](O)C1=CC=CC=C1)C2=CC=CC=C2)C(=O)OC3=CC=CC=C3~   14.967
28412 N[CH]([CH](O)C1=CC(=C(OCC2=CC=CC=C2)C=C1)OCC3=CC=CC=C3)C(O)=O~   19.000
28413 OC(=O)[CH](CC1=CC=C(OS(=O)(=O)CC2=CC=CC=C2)C=C1)NS(=O)(=O)CC3=CC=CC=C3~   15.876
28414 OC(=O)[CH](CC1=CC=C(O)C=C1)N(S(=O)(=O)CC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3~   16.514
28416 N=C(NCC1=CC=CC=C1)[CH](N=NC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3~   16.642
28417 CCN1C=CC(=CC2=[N+](CC)C3=CC=CC=C3C=C2)C4=C1C=CC=C4~   14.082
28420 CCCCOC(=NC1=CC=CC=C1)N(C2=CC=CC=C2)C3=CC=CC=C3~    8.011
28421 CC(CCC1=CC=CC=N1)(CCC2=CC=CC=N2)C(=O)C3=CC=CC=C3~   12.345
28422 COC1=CC(=CC(=C1OC)OC)[CH]2[CH]3[CH](COC3=O)[CH](SC(N)=N)C4=C2C=C5OCOC5=C4~   20.466
28423 CCN1C(SC2=C1C=CC=C2)=CC=CC=CC3=[N+](CC)C4=CC=CC=C4S3~   12.373
28424 CN(C)C1=C2C=CC=NC2=C(CC3=C4N=CC=CC4=C(C=C3)N(C)C)C=C1~   14.703
28425 OC(=O)[CH]1CCC2=NC(=NC(=C2C1)NCC3=CC=CC=C3)NCC4=CC=CC=C4~   15.544
28426 CC(C)C1=C(O)C=C(C)C(=C1)NC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3~   16.169
28428 C[CH](C(OCC1=CC=CC=C1)OCC2=CC=CC=C2)C3=CC=CC=C3~    7.329
28429 CCOCC1=C(C=CC=C1)[C](O)(C2=CC=CC=C2)C3=CC=C(OC)C=C3~   11.842
28430 COC1=CC(=CC(=C1OC)OC)[CH]2[CH]3[CH](COC3=O)[C](C)(O)C4=C2C=C5OCOC5=C4~   17.297
28431 COC1=CC(=CC(=C1OC)OC)[CH]2[CH]3[CH](COC3=O)CC4=C(OC)C5=C(OCO5)C=C24~   14.211
28432 C[N+](C)(C)C1=CC=C(CC2C3=C(C=CC=C3)C4=CC=CC=C24)C=C1~   15.658
28433 C[CH]([CH](O)C1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3~   11.907
28434 CN(C)C[CH](C1=CC=CC=C1)C(O)(C2=CC=CC=C2)C3=CC=CC=C3~   11.907
28435 CCOC1=CC(=CC(=C1)O)[CH](CC2=CC=CC=C2)NCC3=CC=CC=C3~   13.023
28436 CCN(CC)CCC(=O)C1=C(OC(=C1)C2=CC=CC=C2)C3=CC=CC=C3~   10.174
28438 OCCN(CC1=CC=CC=C1)[CH]([CH](O)C2=CC=CC=C2)C3=CC=CC=C3~   13.344
28439 CN1[CH]2CC[CH]1[CH](COC(=O)C3=CC=CC=C3)[CH](C2)OC(=O)C4=CC=CC=C4~   11.064
28440 CC1=CC=C(C=C1)S(=O)(=O)N(C[CH](O)C2=CC=CC=C2)C[CH](O)C3=CC=CC=C3~   13.462
28441 CCCCOC(=O)C(NC(=O)C1=CC=CC=C1)=CC2=CC(=C(OC(C)=O)C=C2)OC~   13.721
28442 CN(C)NC(=NC1=CC=C(C)C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3~   10.618
28443 CN(C)C1=CC=C(C=C1)C(=CC2=CC=CC=N2)C3=CC=C(C=C3)N(C)C~   11.738
28445 CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC(=CC=C3)[N+]([O-])=O~   10.413
28446 CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)[N+]([O-])=O~   10.413
28447 CCCCCCC1=CC(=C2C=CC=CC2=N1)C(=O)NN=CC3=C(O)C=CC=C3~   16.539
28448 CCN(CC)CCOC(=O)C1=CC=C(C=C1)N=NC2=C3C=CC=CC3=C(O)C=C2~   14.951
28449 [O-][N+](=O)C1=CC(=CC=C1)C(N2CCOCC2)=C(N3CCOCC3)C(=O)C4=CC=CC=C4~   18.036
28451 CN(C)CCCNC1=NC(=NC2=C1N=C(C3=CC=CC=C3)C(=N2)C4=CC=CC=C4)N~   17.996
28453 C(CC[N+]1=CC=CC2=C1C=CC=C2)CC[N+]3=C4C=CC=CC4=CC=C3~   14.041
28455 CC1=CC2=C(C=CC=C2)C=[N+]1CCC[N+]3=CC4=CC=CC=C4C=C3C~   14.202
28456 CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C~    8.009
28457 CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)=C3C=CC(C=C3)=[N+](C)C~   14.914
28460 CC1=CC2=CC=CC=C2C=[N+]1CC(O)C[N+]3=CC4=CC=CC=C4C=C3C~   18.638
28461 O[CH]([CH](NCCNCC1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~   15.896
28462 CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=C(O)C=CC=C3~   11.991
28463 CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC(=CC=C3)O~   11.991
28466 C(COC1=CC=C(NC2=CC3=C(C=CC=C3)C=C2)C=C1)CN4CCOCC4~   13.440
28468 CC(=O)CC(=NCC(O)CN=C(CC(C)=O)C1=CC=CC=C1)C2=CC=CC=C2~   15.971
28469 CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=C(C=CC=C3)S(O)(=O)=O~   14.340
28470 CCCC1=C(CN(CC2=C(CCC)C=C3OCOC3=C2)C#N)C=C4OCOC4=C1~   11.273
28471 OC(=O)C(CCCNC(=O)C1=CC=CC=C1)(CCCNC(=O)C2=CC=CC=C2)C(O)=O~   21.812
28472 CCOC(=O)C(CCC1=CC=C(C=C1)[N+]([O-])=O)(CCC2=CC=C(C=C2)[N+]([O-])=O)C(=O)OCC~   12.635
28473 CCOC(=O)C(CCC1=C(C=CC=C1)[N+]([O-])=O)(CCC2=C(C=CC=C2)[N+]([O-])=O)C(=O)OCC~   12.635
28474 CCN(CC)CCN1C2=C(SC3=CC=C4C=CC=CC4=C13)C=C(C)C=C2~   10.148
28475 CCN(CC)CCN1C2=C(SC3=CC=C4C=CC=CC4=C13)C=CC(=C2)C~   10.148
28476 CN(C)CCCN1C2=C(SC3=C1C(=CC=C3C)C)C4=C(C=CC=C4)C=C2~   10.228
28477 CCC[CH]1C(=O)C(=C(C2=CC=CC=C2)[C]1(O)C3=CC=CC=C3)CCC~   10.812
28478 CC(=O)C(CCC(=O)OCC1=CC=CC=C1)CCC(=O)OCC2=CC=CC=C2~   11.245
28479 CCCCCC1=C2OC3=CC(=CC(=C3C(=O)OC2=CC(=C1)O)C(=O)CCCC)O~   15.697
28482 COC1=CC2=C(C=C1OC)[CH](C3=CC(=C(OC)C(=C3)OC)OC)[C]4(O)C(=O)OC[C]4(O)C2~   14.747
28484 C=C[CH](CN1CCCCC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3~    8.991
28486 COC(=O)[CH]1CC2=C(C=C(OC)C(=C2)OC)[CH]([CH]1C(N)=O)C3=CC=C(OC)C(=C3)OC~   17.740
28487 COC1=C(OC)C(=C(C=C1)C(=O)CC2=C(OC)C3=C(OCO3)C=C2CCN(C)C)C(O)=O~   20.554
28488 [O-][N+](=O)C1=CC=CC(=C1)[CH]([CH](N2CCOCC2)C(=O)C3=CC=CC=C3)N4CCOCC4~   18.020
28489 COC(=O)CC[CH](NC(=O)C1=CC=C(NC(=O)[CH]2CCC3=C(C2)C(=NC(=N3)N)O)C=C1)C(=O)OC~   23.065
28490 CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=NN3C4=CC=CC=C4~   30.529
28491 CCN(CC)CCCN1C(=CC=C1C2=CC=CC=C2)C3=CC=CC=C3~    8.754
28492 O=C([CH]([CH](N1CCOCC1)C2=CC=CC=C2)N3CCOCC3)C4=CC=CC=C4~   15.616
28494 CCOC(=O)CNC(=O)[CH](CCSCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2~   14.150
28496 CCOC(=O)C(CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C)C=C2)(NC(C)=O)C(=O)OCC~   16.602
28497 COC1=CC2=C(C=C1OC)[CH]([CH](C(O)=O)[C](O)(CO)[CH]2O)C3=CC(=C(OC)C(=C3)OC)OC~   21.842
28499 CCOC(=O)[CH](O[CH]1O[CH]([CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O)C(=O)OC)C2=CC=CC=C2~   17.569
28503 CC(=O)OCC(=O)[C]1(O)C[CH]2O[C]23[CH]4CCC5=CC(=O)CC[C]5(C)C4=CC[C]13C~   12.662
28505 CC1=CC=C(C=C1)S(=O)(=O)OC[CH]2[CH]3CC[CH](C3)[CH]2COS(=O)(=O)C4=CC=C(C)C=C4~   10.697
28508 CCOC(=O)[CH](CC)[C](O)(C1=CC2=C(OCO2)C=C1)C3=CC(=C(OC)C(=C3)OC)OC~   16.506
28510 CC(C)(C)C1=CC2=C(C=C1)N(CCC(O)=O)C3=CC=C(C=C23)C(C)(C)C~    9.421
28511 CN1CCCCCC[CH]1COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3~    8.863
28512 CCN(CC)CCOC(=O)C(CC=C)(C1=CC=CC=C1)C2=CC=CC=C2~    8.636
28513 CC(C)(COC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)CN3CCOCC3~   10.917
28514 CCN(CC)CCOC(=O)C(OCC=C)(C1=CC=CC=C1)C2=CC=CC=C2~    9.842
28515 CCCCCCCCCOC(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2~    9.266
28516 COC1=CC=C(C=C1)C(O)(C(=O)OCCN2CCCCC2)C3=CC=C(OC)C=C3~   12.373
28517 CCN(CC)CC1=CC(=CC(=C1)C(=O)OC)OC(=O)C2=CC(=C(OC)C(=C2)OC)OC~   13.783
28518 COC1=CC(=CC(=C1OC)OC)[C](O)(CCN2CCOCC2)C3=CC4=C(OCO4)C=C3~   19.597
28519 CCN(CC)CCCNC1=CC=C(C=C1)C2=C3N=CC=CC3=CC(=C2)OC~   14.427
28520 CCCCN(CCCC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C=C1)[N+]([O-])=O~   15.246
28521 CCN(CC)CCCNC1=CC=CC2=C(SCC3=CC=CC=C3)C=CN=C12~   14.712
28522 CCN(CC)C1=CC=C(C=C1)C=CC2=[N+](C)C3=C(C=CC=C3)C2(C)C~   13.907
28523 CN(C)C1=CC=C(C=C1)C([CH]2CCCC=C2)C3=CC=C(C=C3)N(C)C~    6.588
28524 NC(=O)C(CCCCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3~   12.936
28525 C[CH]1CCC[CH](C)N1CCC(C(N)=O)(C2=CC=CC=C2)C3=CC=CC=C3~   12.936
28527 CCCCN(CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1)C[CH](C)O~   17.360
28528 CC(C)N1CCN(CCOC(=O)C(O)(C2=CC=CC=C2)C3=CC=CC=C3)CC1~   13.222
28529 OC1=C(CN2CCOCC2)C=C(CC3=CC=CC=C3)C=C1CN4CCOCC4~   18.154
28530 C(CC1OCC2(CO1)COC(CCNC3=CC=CC=C3)OC2)NC4=CC=CC=C4~   16.623
28533 CCN(CC)CCCNC1=CC(=C(NC2=CC=CC=C2)C3=CC=CN=C13)OC~   17.023
28534 O=C(C1CC2CCC13CC=CCC23)C4CC5CCC46CC=CCC56~    4.089
28535 CC(=O)OC[CH]1O[CH](OCCCC2=CC=CC=C2)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O~   16.399
28537 CC(=O)OCC(=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[CH]3CC[C]12C~    9.290
28539 CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[CH]3CC[C]12C~   10.097
28541 CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)C3=CC[C]12C~    9.752
28542 CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[CH]3[CH](O)C[C]12C~   11.533
28543 CC(=O)OCC(=O)[C]1(O)CC=C2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C~   11.188
28544 CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CC[CH]4CC(=O)C=C[C]4(C)[CH]3C(=O)C[C]12C~   13.258
28547 CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[C]35O[CH]5C[C]12C~   12.678
28548 CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3C(=O)C[C]12C~   13.186
28549 CC(=O)OCC(=O)[C]1(O)C[CH]2O[C]23[CH]4CCC5=CC(=O)CC[C]5(C)[CH]4[CH](O)C[C]13C~   14.115
28550 CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3C[CH](O)C4=CC(=O)CC[C]4(C)[CH]3C(=O)C[C]12C~   14.623
28553 CCN(CC)CCOC(=O)C(C(C)C)(C1=CC=CC=C1)C2=CC=CC=C2~    8.509
28554 CCOC1=C(C=C(C=C1)C=NC2=C(C)C=C(O)C(=C2)C(C)C)C(C)(C)C~    8.351
28555 CCN(CC)CC1(CC)COC(OC1)(C2=CC=CC=C2)C3=CC=CC=C3~    9.403
28556 CCCC(C(=O)OCCN(CC)CC)(C1=CC=CC=C1)C2=CC=CC=C2~    8.509
28560 C[C]12CC[CH]3[CH](CCC4=C3C=C(CN5CCOCC5)C(=C4)O)[CH]1CCC2=O~   14.848
28561 CCOC1=CC(=CC2=C1C=CC3=CC=C(OC)C(=C23)OC)CC[N+](C)(C)C~   19.131
28562 CCN(CC)CC[C](O)(C1=CC2=C(OCO2)C=C1)C3=CC(=C(OC)C(=C3)OC)OC~   17.187
28563 CCOC(OCC)[CH](O)CN(C1=CC=C(C=C1)C(=O)OCC)S(=O)(=O)C2=CC=C(C)C=C2~   14.455
28564 CCN(CC)CCC[CH](C)NC1=C2C=C(OC)C=CC2=NC3=CC=CC=C13~   14.077
28565 CCN(CC)CCOC(=O)C1=CC=C(C=C1)N=NC2=C(C=C(O)C(=C2)C)C(C)C~   13.609
28566 CC1(C)CCC[N+]1(C)CCC(C(N)=O)(C2=CC=CC=C2)C3=CC=CC=C3~   21.201
28567 C[CH](CC(C(=O)NCC=C)(C1=CC=CC=C1)C2=CC=CC=C2)[N+](C)(C)C~   20.754
28568 CNC(=O)C(CCC[N+]1(C)CCCC1)(C2=CC=CC=C2)C3=CC=CC=C3~   20.983
28570 CCN(CC)CCCC(C(=O)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2~   12.144
28572 CC(C)CN(C[CH](O)COC1=CC=CC=C1)CC(=O)NC2=C(C)C=CC=C2C~   16.314
28576 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)NN=CC2=CC=C(C=C2)N(CC)CC~   13.873
28577 CN1C(=O)N(C)C2=C(N(C)C(=N2)CCCCCCCC3=NC4=C(N3C)C(=O)N(C)C(=O)N4C)C1=O~   22.136
28578 CCCCCCCCCCOC(C1=CC=CC=C1)C2=CC=CC=C2~    4.143
28579 CC(=O)OC[CH]1O[CH](O[CH]2[CH]3CO[CH](O3)[CH]4OC(C)(C)O[CH]24)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O~   23.854
28582 COC1=C(C=C(CC2=CC(=C(OC)C=C2C)C(C)C)C(=C1)C)C(C)C~    5.111
28583 COC(=O)[C]1(C)CCC[C]2(C)[CH]1CCC3=C2C=C(C(C)=O)C(=C3)C(C)C~    6.983
28584 CCCCC(=O)O[CH]1CC[CH]2[CH]3CCC4=C(C=CC(=C4)O)[CH]3CC[C]12C~    8.256
28585 CC(=O)O[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](CC=C4C(C)=O)[CH]3CC=C2C1~    6.377
28587 CC(=O)OCC(=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C~    8.963
28589 CC(=O)OCC(=O)[CH]1CC[CH]2[CH]3CC=C4CC(=O)CC[C]4(C)[CH]3CC[C]12C~    8.688
28591 CC(=O)O[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](C[CH]5O[C]45C(C)=O)[CH]3CC=C2C1~    8.180
28594 CC(=O)OC1CCC2(C)C(CCC3C4CC5OC5(C(C)=O)C4(C)CC(=O)C23)C1~   11.614
28595 CC(=O)OC[CH]1O[C]12CC[CH]3[CH]4CCC5=CC(=O)CC[C]5(C)[CH]4[CH](O)C[C]23C~   13.740
28596 CC1(C)C(=O)CC[C]2(C)[CH]3[CH](CC=C12)[CH]4CC[C](O)(C(=O)CO)[C]4(C)CC3=O~    8.701
28597 CC(=O)O[CH]1C[C]2(C)[CH](CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]13)OC(C)=O~    9.262
28598 CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C~   11.205
28600 CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[C]3(O)CC[C]12C~   11.205
28601 CC(=O)OCC(=O)[C]1(O)CC[C]2(O)[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C~   11.205
28605 CC(=O)OCC(=O)[C]1(O)CC[C]2(O)[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C~   12.642
28607 CCCN(CCC)[CH](C)[CH](O)C1=C2C=CC=CC2=C3CCCCC3=C1~   10.264
28608 CCCCCC[CH](C)C1=CC(=C(O)C(=C1)CN(C)C)C2=CC=CC=C2~    9.724
28610 CCCN(CCC)CC[CH](O)C1=C2C=CC=CC2=C3CCCCC3=C1~   10.264
28611 CC(C)C1=C(OCCN(C)C)C(=CC(=C1)CC2=CC=CC=C2)C(C)C~    7.151
28614 CC(C)(COC(=O)[CH]([CH]1CCCC=C1)C2=CC=CC=C2)CN3CCCC3~    7.444
28615 C[CH]1CN(CCOC(=O)[CH]([CH]2CCCC=C2)C3=CC=CC=C3)C(C)(C)C1~    7.444
28616 C[C]12CC[CH]3[CH](CCC4=C3C=C(CN5CCCC5)C(=C4)O)[CH]1CC[CH]2O~   13.810
28618 CCN(CC)CC1=CC2=C(CC[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O)C=C1O~   12.437
28619 CC(C)C1=C[C]23CC[CH]4[C](C)(CCC[C]4(C)C(O)=O)[CH]2C[CH]1C[CH]3C#N~    8.588
28621 CC(C)(C)C(=O)OCC(C(=O)OC1CC2C3OC3C(C1)[N+]2(C)C)C4=CC=CC=C4~   21.433
28622 CCOC(C)C(=O)OCC(C(=O)OC1CC2C3OC3C(C1)[N+]2(C)C)C4=CC=CC=C4~   22.638
28623 CCCCN(CCCC)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C~    7.701
28624 CCN(CC)CCOC1=CC=C(NC(=S)NC2=CC=C(OCC(C)C)C=C2)C=C1~   12.340
28625 CCCCOC1=CC=C(NC(=S)NC2=CC=C(OCCN(CC)CC)C=C2)C=C1~   12.340
28626 CCN(CC)CCC[CH](C)N[CH](CC1=CC=CC=C1)C2=CC=CC=C2~    9.408
28627 CC[N+](C)(CC)CCC(C(=O)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2~   20.409
28629 CC(C)[N+](C)(CCC(C(N)=O)(C1=CC=CC=C1)C2=CC=CC=C2)C(C)C~   20.845
28630 CC[N+](C)(CC)CCCC(C(=O)NC)(C1=CC=CC=C1)C2=CC=CC=C2~   20.627
28632 CN(C)CC1=CC(=CC(=C1O)C)C(C)(C)C2=CC(=C(O)C(=C2)CN(C)C)C~   17.476
28633 CCN(CC)C(=O)C[N+](C)(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2~   21.163
28634 O=C(C1CC2CCC13CCCCC23)C4CC5CCC46CCCCC56~    3.979
28636 CCC(=O)O[CH]1CCC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C~    6.393
28638 CCC(=O)O[CH]1CC[CH]2[CH]3CCC4=CCC(=O)CC[C]4(C)[CH]3CC[C]12C~    6.120
28641 CC(=O)O[CH]1CC[C]2(C)[CH](CC=C3[CH]4CC[CH](OC(C)=O)[C]4(C)CC[CH]23)C1~    5.570
28642 CC(=O)O[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](C[CH](O)[CH]4C(C)=O)[CH]3CC=C2C1~   10.556
28643 CC(=O)O[CH]1CC[C]2(C)[CH](C1)C[CH]3O[C]34[CH]5CC[CH](C(C)=O)[C]5(C)CC[CH]24~    9.046
28645 CC(=O)O[CH]1CC[C]2(C)[CH](CC[CH]3[CH]4CC[CH](C(C)=O)[C]4(C)CC(=O)[CH]23)C1~    9.554
28646 CC(=O)O[CH]1CC[C]2(C)[CH](CC[CH]3[CH]4CCC(=O)[C]4(C)[CH](C[CH]23)OC(C)=O)C1~    9.005
28647 CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3CC[C]12C~    9.511
28649 C[C]12CC[CH](O)CC1=CC[CH]3[CH]2CC[C]4(C)[CH]3CCC4(SCC(O)=O)SCC(O)=O~   18.963
28651 CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C~   10.947
28652 CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3C(=O)C[C]12C~   10.947
28655 CCCCCN(CCCCC)C[CH](O)C1=C2C=CC=CC2=C(OC)C=C1~   11.099
28656 C[CH]1CC[CH](C)[N+]1(C)CCOC(=O)[CH]([CH]2CCCC=C2)C3=CC=CC=C3~   15.710
28659 O=C(OCCCCCCN1CCOCC1)C2(CCCCC2)C3=CC=CC=C3~    9.442
28660 CCCCN(CCCC)C1=CC(=C2C=CC=CC2=N1)C(=O)CCCCCN~   13.457
28661 CCOC(=O)[C](CN1CCCCC1)(C[C](CN2CCCCC2)(C#N)C(=O)OCC)C#N~   18.987
28663 CCN(CC)CCNC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)NCCN(CC)CC~   20.690
28664 CCCCCC(=CC1=CC=CC=C1)C2OCC(CC)(CCCC)CO2~    4.333
28666 CCC(=O)O[CH]1CC[CH]2[CH]3CC[CH]4CC(=O)[CH](C)C[C]4(C)[CH]3CC[C]12C~    6.136
28668 CCC(=O)O[CH]1CC[CH]2[CH]3C[CH](C)[CH]4CC(=O)CC[C]4(C)[CH]3CC[C]12C~    6.136
28670 CC(=O)O[CH]1CC[C]2(C)[CH](CC[CH]3[CH]4CC[CH](OC(C)=O)[C]4(C)CC[CH]23)C1~    5.587
28671 CC(=O)O[CH]1CC[C]2(C)[CH](CC[CH]3[CH]2CC[C]4(C)[CH]3CC[C]4(O)C(C)=O)C1~    6.943
28672 CC(C)CCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCC(C)C~    5.051
28673 CC(=O)O[CH]1C[C]2(C)[CH](CC[C]2(O)C(C)=O)[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]13~    8.380
28674 CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C~    7.530
28675 CCCCCCCCCCCCCC[N+]1=C2C=CC=CC2=CC=C1~    9.234
28676 CCCCCCCCCC[CH](N1CCCCC1)C(=O)C2=CC=CC=C2~    5.770
28677 CCCCCCCCCCCCCCC(=NOCC1=CC=CC=C1)C(O)=O~    6.048
28678 CCC(CC)COCCOCCCN1C(=O)[CH]2[CH](C)C=C[CH](C3OCCO3)[CH]2C1=O~   13.325
28679 COC1=CC(=C2N=CC=CC2=C1)NCCCN(CCC(C)C)CCC(C)C~   12.575
28680 COC1=CC(=C2N=C(C)C=CC2=C1)NC[C](C)(O)CN(CC(C)C)CC(C)C~   17.092
28683 CCCCCCCCCCCCCCCCN=CC1=C(C=CC=C1)[N+]([O-])=O~    3.967
28684 CN(C)CCN1C(=O)CC[C]2(C)[CH]3CC[C]4(C)[CH](CC[C]4(C)O)[CH]3CC=C12~   14.076
28685 CCOC(=O)N1CCN(CCCCCCOC2=CC=C(C=C2)C(C)(C)C)CC1~   11.470
28687 CCOC(=O)N1CCN(CCCCCOC2=CC=C(C=C2)C(C)(C)CC)CC1~   11.470
28688 CCCCCCCCCCCCCCCCSC1=NC2=CC=CC=C2N1~    6.126
28691 CCCCCCCCCCCCCCN1CCC2=C(C1)C=CC=C2~    4.243
28694 CCCCCCCCCC[CH]([CH](O)C1=CC=CC=C1)N2CCCCC2~    8.600
28695 CCCCCCCCCCCCCCCCN=CC1=C(O)C=C(O)C=C1~    9.527
28696 CCOC(=O)C1=C(C)N(CNC2CCCCC2)C(=C1C)CNC3CCCCC3~   12.426
28699 CCCCCCCCCCCCCCCCNC(=S)NC1=CC=CC=C1~    4.873
28700 CCCCCCCCCC[CH](CN(CC)CC)[CH](O)C1=CC=CC=C1~    8.245
28701 CCCCCC=CCC=CCCCCCCCC1=N[C](CC)(CO)CO1~    6.688
28702 CC(C)COC(=O)N[CH](C(C)C)C(=O)N(C1CCCCC1)C(=O)NC2CCCCC2~   12.656
28703 CCCCCCCCN(CCCCCCCC)C[CH](O)C1=CC=CN=C1~   11.005
28704 CCCCCCCCCCCCCCCCCCOC(=O)C=CC(=O)NC(N)=O~   10.979
28706 CCCCCCCCCC(=O)O[CH](CC[CH]1CCCO1)CC[CH]2CCCO2~    7.016
28707 CCCC[CH](CC)COC(=O)C(=CC(C)C)C(=O)OC[CH](CC)CCCC~    4.695
28709 CCCCCCCCCCCCCCCCCC[N+]1=CC=CC=C1~    7.730
28710 CCCCCCCCCCCCCCCC[N+]1=CC=C(CCO)C=C1~   12.248
28713 CCCCCCNC1=NC2=C(NCCCCCC)N=C(NCCCCCC)N=C2N1~   13.636
28715 CCCCCCCCCCCCCCCCCC1=NCCN1C(=O)OCCO~   10.479
28717 CCCC[CH](CC)CO[CH](OC[CH](CC)CCCC)C(=O)C=CC(C)C~    4.733
28718 CCCCCCCCCCCCCCCCCC(=O)OC[CH]1CCCO1~    4.606
28719 CCCC[CH](CC)C(=O)OCCCCCCCOC(=O)[CH](CC)CCCC~    4.164
28720 CCCCCCCCCCCCCCCCCC1=N[C](CC)(CO)CO1~    6.577
28721 CCCCCCCCCCCC(=O)O[CH](C)C(=O)NC(C)(C)CC(C)(C)C~    7.168
28724 CCCCCCCCCCCCCCCCCC1=NCCCN1CCO~    8.073
28725 CCCCCCCCCCCC(=O)CCCCCCCCCCC~    1.845
28727 CCCCCCCCCCCCSCCCCCCCCCCC(O)=O~    5.772
28728 CCCCCCCCCCCCS(=O)(=O)CCCCCCCCCCC(O)=O~    7.873
28730 CCCCCCCCCCN(CCCCCCCCCC)C(=O)[CH](C)O~    5.738
28731 CCCCCCCCCCCCCCCCCCNC1=NCCCCN1~    7.623
28732 CCCCCCCCCCCCOCCCCCCCCCCC~    0.480
28733 CCCCCCCCCCCCCCCCCCC(S(=O)(=O)CC)S(=O)(=O)CC~    6.815
28734 CCCCCCN(CCCCCC)CCCCCCCCCCCO~    6.413
28736 CCCCN(CCCC)CCCCCCCN(CCCC)CCCC~    5.527
28737 O=C1NC(=O)C2=CC=C3C4=CC=C5C(=O)NC(=O)C6=C5C4=C(C=C6)C7=C3C2=C1C=C7~   20.735
28738 O=C1C2=CC=CC3=C2C(=CC=C3)C1=C4C(=O)C5=CC=CC6=CC=CC4=C56~   12.767
28739 O=C1C2=CC=CC=C2C3=CC=C4C(=O)C5=C(C=CC=C5)C6=C4C3=C1C=C6~   11.080
28740 S1C2=C(C3=CC=CC4=C3C2=CC=C4)C5=C1C6=C7C(=CC=C6)C=CC=C57~    8.158
28741 OC1=CC=C2C=CC=CC2=C1N=NC3=CC4=C(C=C3)C(=O)C5=C(C=CC=C5)C4=O~   16.055
28743 O=C1C2=C(C=CC=C2)C(=O)C3=C1C4C5=C(C=CC=C5)C3C6=C4C=CC=C6~   11.374
28745 O=C1C2=C(C=CC=C2)C(=O)C3=C(OC(=C13)C4=CC=CC=C4)C5=CC=CC=C5~   10.728
28746 O=C1N(C2C3=C(OC4=C2C=CC=C4)C=CC=C3)C(=S)SC1=CC5=CC6=C(OCO6)C=C5~   14.469
28747 C1=CC=C(C=C1)C2=C3C=CC=CC3=CC4=C2C=CC5=C4C=CC=C5~    6.415
28748 C1=CC2=C(C=C1)C3=C(C=CC=C3)N2N4C5=CC=CC=C5C6=CC=CC=C46~    9.936
28750 O1C(=CN=C1C2=CC=C(C=C2)C3=NC=C(O3)C4=CC=CC=C4)C5=CC=CC=C5~   12.496
28751 [O-][N+](=O)C1=CC=C(NN=C2C=CC(=NNC3=CC=C(C=N3)[N+]([O-])=O)C4=C2C=C5C=CC=CC5=C4)N=C1~   22.253
28752 O=C1O[C](OC2=CC3=C(C=CC=C3)C=C2)(C4=CC=CC=C4)C5=C1C=CC=C5~    9.363
28753 O=C(OC1=CC2=C(C=CC=C2)C=C1)C3=C(C=CC=C3)C(=O)C4=CC=CC=C4~    9.345
28754 O=C(OC1=C2C=CC=CC2=CC=C1)C3=C(C=CC=C3)C(=O)C4=CC=CC=C4~    9.345
28755 OC1=CC=C2C=C(C=CC2=C1)[C]3(OC(=O)C4=C3C=CC=C4)C5=CC=CC=C5~   12.075
28756 O=C(OC1=CC=CC=C1)C2=C3C(=CC=C2)C=CC=C3C(=O)OC4=CC=CC=C4~    8.526
28757 CC(=O)OC1=CC2=C(C=C1)C3(OC(=O)C4=C3C=CC=C4)C5=C(O2)C=C(OC(C)=O)C=C5~   11.924
28758 C1C2=CC=CC=C2C3=C1C=C(C=C3)N=CC4=C5C=CC=CC5=CC=C4~    6.526
28759 C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=CC=CC=C4C5=CC=CC=C35~    6.839
28761 CC1=CC=CC2=C1OC3=C(C=CC=C3)[CH]2N4C(=S)SC(=CC5=CC=CC=C5)C4=O~   11.491
28762 [O-][N+](=O)C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=C(C=C2)[N+]([O-])=O)OC(=O)C3=CC=C(C=C3)[N+]([O-])=O~   18.078
28763 CC1=CC=C2N=C(SC2=C1S(O)(=O)=O)C3=CC=C(C=C3)N=NC4=C(O)C5=C(C=CC=C5)C(=C4)S(O)(=O)=O~   27.717
28764 NC1=C2N=C(C3=CC=CC=C3)C(=NC2=NC(=N1)C4=CC=CC=C4)C5=CC=CC=C5~   16.492
28765 C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=CC=C3)C4=CC=CC=C4~    5.613
28766 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4~    5.613
28767 C1=CC=C(C=C1)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)C4=CC=CC=C4~    7.062
28768 [O-][N+](=NC1=CC=C(SC2=CC=CC=C2)C=C1)C3=CC=C(SC4=CC=CC=C4)C=C3~   16.398
28770 OC1=C2C=CC(=CC2=CC(=C1)S(O)(=O)=O)NC(=O)C3=CC=C(NC(=O)C4=CC=CC=C4)C=C3~   23.682
28771 OC1=CC(=CC2=CC(=CC(=C12)NC(=O)C3=CC=C(NC(=O)C4=CC=CC=C4)C=C3)S(O)(=O)=O)S(O)(=O)=O~   30.012
28772 N=C1C=C2N(C3=CC=CC=C3)C4=C(C=CC=C4)N=C2C=C1NC5=CC=CC=C5~   10.772
28773 CC1=CC(=C(C=C1)N=NC2=C(O)C(=CC3=C2C=CC=C3)C(=O)NC4=CC=CC=C4)[N+]([O-])=O~   15.730
28775 C[C]12[CH]3[CH](C(=O)OC3=O)[C](C)(C4=C1C=CC=C4)C5=C2C=CC6=C5C=CC=C6~    8.380
28776 CC(=O)OC1=CC=C(C=C1)C2(OC(C)=O)C3=C(C=CC=C3)C(=O)C4=C2C=CC=C4~   11.740
28777 CC(=O)OC1=CC=C(C=C1)C2(OC(=O)C3=C2C=CC=C3)C4=CC=C(OC(C)=O)C=C4~   10.921
28778 CC(=O)OC1=CC=C(C=C1)C(=O)C2=C(C=CC=C2)C(=O)C3=CC=C(OC(C)=O)C=C3~   12.996
28779 C(C1=C2C=CC3=CC=CC=C3C2=CC4=CC=CC=C14)[N+]5=CC=CC=C5~   13.947
28780 O=C([CH](NC1=CC2=C(C=CC=C2)C=C1)C3=CC=CC=C3)C4=CC=CC=C4~   10.057
28781 CN(C1C2=C(OC3=C1C=CC=C3)C=CC=C2)S(=O)(=O)C4=CC5=C(C=CC=C5)C=C4~    9.889
28782 NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(O)(=O)=O~   27.133
28783 NC1=CC=C(NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(O)(=O)=O)C=C1~   27.133
28784 NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C(C=C4C=C3)S(O)(=O)=O)S(O)(=O)=O~   29.480
28785 C1[CH]2[CH](CC3=CC=CC=C13)C4C5=C(C=CC=C5)C2C6=C4C=CC=C6~    5.104
28786 N(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=C(NC4=CC=CC=C4)C=C3~   10.804
28788 CN(C)C1=CC=C(C=CC=C2C3=CC=CC=C3C4=CC=C(C=C24)[N+]([O-])=O)C=C1~    9.815
28790 CCOC(=O)C1=C2C=CC=CC2=NC(=C1)C3=NC4=C(C=CC=C4)C(=C3)C(=O)OCC~   15.306
28791 O=S(=O)(NC1=CC=C(C=C1)C2=CC=C(NS(=O)(=O)C3=CC=CC=C3)C=C2)C4=CC=CC=C4~   12.111
28792 CC1=C(C=CC=C1)N=NC2=CC(=C(C=C2)N=NC3=C(O)C=CC4=C3C=CC=C4)C~   12.304
28793 CC1=C(C=CC=C1)N=NC2=CC(=C(C=C2)N=NC3=CC(=C4C=CC=CC4=C3O)S(O)(=O)=O)C~   18.635
28794 CC1=C(C=CC(=C1)N=NC2=C(C)C=C(C=C2)S(O)(=O)=O)N=NC3=CC(=C4C=CC=CC4=C3O)S(O)(=O)=O~   24.967
28796 CC1=C(C=CC=C1)N=NC2=CC(=C(C=C2)N=NC3=C4C(=CC=C3O)C=C(C=C4S(O)(=O)=O)S(O)(=O)=O)C~   24.967
28797 N=C(NN=CC1=C2C=CC=CC2=CC=C1)C(=N)NN=CC3=C4C=CC=CC4=CC=C3~   15.383
28798 CC(C)C1=CC=C(C=C1)C=C2C=C(OC2=O)C3=CC4=C(C=CC=C4)C=C3~    6.932
28799 COC1=CC=C(C=C1)C2=C3C=CC(=CC3=C(OC(C)=O)C4=C2C=CC=C4)OC~    9.780
28800 C[C]12[CH]([CH](C(O)=O)[C](C)(C3=C1C=CC=C3)C4=C2C=CC5=C4C=CC=C5)C(O)=O~   14.842
28801 O=C(OCC(COC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2)C3=CC=CC=C3~   10.866
28803 COC1=C(C=CC=C1)C(=O)OC2=CC(=C(OC(=O)C3=C(OC)C=CC=C3)C=C2)C(C)=O~   12.710
28804 CC1=CC2=CC=CC=C2C=[N+]1CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4~   15.780
28806 COC1=CC=C(C=C1)C(=O)C[CH]([CH](C#N)C2=CC=CC=C2)C3=CC=CC=C3~   11.558
28807 CC(=O)N(COC1=CC2=C(C=CC=C2)C=C1)COC3=CC4=C(C=CC=C4)C=C3~   11.417
28808 CC(=O)ON(CC1=C(O)C=CC2=CC=CC=C12)CC3=C4C=CC=CC4=CC=C3O~   17.836
28809 N(C1=CC=CC=C1)C2=CC(=CC(=C2)NC3=CC=CC=C3)NC4=CC=CC=C4~   13.399
28811 NC1=NC(=NC(=C1C2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4~   12.201
28813 O=C(N1CN(CN(C1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4~   11.428
28814 NC1=NC(=C(C2=CC=CC=C2)C(=N1)SCC3=CC=CC=C3)SCC4=CC=CC=C4~    8.629
28815 CC1=C(C=CC=C1)N=NC2=CC(=C(C=C2)N=NC3=C4C=CC=CC4=C(N)C=C3)C~   11.772
28816 CC1=CC(=C(N)C=C1N)N=NC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)C=C(C=C4)S(O)(=O)=O~   25.678
28817 C1=CC=[N+](C=C1)C2C3=C(C=CC=C3)C(C4=C2C=CC=C4)[N+]5=CC=CC=C5~   15.092
28819 CN(C)C1=CC=C(C=C1)[CH]2C=CC3=C(C=CC=C3)N2C(=O)C4=CC=CC=C4~   11.067
28820 O=S(=O)(N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=CC=C3)C=C2)C4=CC5=C(C=CC=C5)C=C4~   12.503
28821 CO[C](OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O)(C2=CC=C(C=C2)C3=CC=CC=C3)C(C)(C)O~   17.475
28823 C(COC1=CC2=CC=CC=C2C=C1)OCCOC3=CC4=C(C=CC=C4)C=C3~    9.567
28824 C[CH](OC(=O)C1=C(C=CC=C1)C(=O)O[CH](C)C2=CC=CC=C2)C3=CC=CC=C3~    8.590
28826 COC1=C(OC(C)=O)C=CC(=C1)C=C2C=C(OC2=O)C3=CC4=C(CCCC4)C=C3~    9.381
28827 OC(=O)[CH](CC1=CC=C(O)C=C1)C2=CC=C(C=C2)[CH](CC3=CC=C(O)C=C3)C(O)=O~   22.346
28828 C1CN(CC2=CC=CC=C2)C(=C(C1)C3=CC=CC=C3)C4=CC=CC=C4~    8.022
28829 N[CH]1[CH](CC=C([CH]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4~    8.451
28830 CN1C(=C(C2=CC=CC=C2)C3=C1C(=CC=C3C)C)CC4=CC=CC=C4~    6.804
28831 CCOC(=O)C(CN=CC1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3~    7.971
28832 CCCC1=C2C=CC3=C(C=CC=C3)C2=C(CCC)C4=C1C=CC=C4~    4.721
28833 CN(C)CCO[C](C1=CC=CS1)(C2=CC=CC=C2)C3=NC4=C(C=CC=C4)C=C3~   13.684
28834 CC(=O)O[CH]1CO[CH](O[CH]1[CH]2O[CH](OC[CH]2OC(C)=O)C3=C(C=CC=C3)[N+]([O-])=O)C4=C(C=CC=C4)[N+]([O-])=O~   20.742
28835 CN(C)C1=CC=C(C=C1)C2(OC(=O)C3=C2C=CC=C3)C4=CC=C(C=C4)N(C)C~   10.678
28836 C1OC2=CC=C3OCN(CC4=CC=CC=C4)CC3=C2CN1CC5=CC=CC=C5~   11.790
28837 C1OC2=C(CN1CC3=CC=CC=C3)C=C4OCN(CC5=CC=CC=C5)CC4=C2~   11.790
28839 CC1=CC(=C(C(=C1)C)C2=CC(=O)C(=CC2=O)C3=C(C)C=C(C)C=C3C)C~   11.355
28840 O[CH](COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)[CH](O)CC=O~   14.883
28845 N[CH]1[CH](CC[CH]([CH]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4~    8.140
28846 CN1[CH]2CC(=CC(=O)[C]2(C)C(=C1CC3=CC=CC=C3)C4=CC=CC=C4)C~    9.893
28847 O=C(CCN1CCCCC1)C2=C(OC(=C2)C3=CC=CC=C3)C4=CC=CC=C4~   10.407
28849 CN(C)C1=CC=C(C=C1)C(C#N)(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C~   11.391
28850 CC[N+]1=C2C=CC=CC2=CC=C1C=C3C=C(C)N=C(N3C)C4=CC=CC=C4~   16.121
28851 CCN(CCO)CC1=C(O)C=CC(=C1)NC2=C3C=CC=CC3=NC4=C2C=CC=C4~   22.318
28852 C1CCN(CC1)CCC2=C(C=CC3=CC4=C(OCO4)C=C3)N=C5C=CC=CC5=N2~   14.244
28853 CN(C)C1=CC=C(C=C1)C(=NOC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C~   10.027
28854 CC[CH](CCNC1=C2N=CC=CC2=CC(=C1)OC)CN3C(=O)C4=C(C=CC=C4)C3=O~   16.401
28855 CCN1N=NC2=C(N[CH](CC(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)N=C(N)N=C12~   17.670
28857 C1C[N+](CCC2=CC=CC=C2)(CC3=CC=CC=C3)C(=N1)C4=CC=CC=C4~   17.272
28859 CN(C)CC(CNC(=O)C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3~   13.558
28860 CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C(=O)C3=CC=CC=C3~   10.790
28861 CCN(CC)C1=CC=C(N[CH](C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C=C1~   10.600
28862 CCN(CC)C1=CC=C(NC2=CC=C(CC(=O)C3=CC=CC=C3)C=C2)C=C1~   11.364
28864 CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=C(C=CC=C3)C(O)=O~   12.706
28865 CC1=CC(=C2C=C(OCCCCOC3=CC4=C(N)C=C(C)N=C4C=C3)C=CC2=N1)N~   20.096
28866 O=C(CCSCCC(=O)NN=CC=CC1=CC=CC=C1)NN=CC=CC2=CC=CC=C2~   14.903
28868 COC1=C(OC)C=C(CN2C(=NC3=C2C(=O)N(C)C(=O)N3C)C4=CC=C(OC)C(=C4)OC)C=C1~   17.565
28869 NC1=NC(=C2N=C(CNC3=CC=C(C=C3)C(=O)N[CH](CCC(O)=O)C(=O)N[CH](CCC(O)=O)C(O)=O)C=NC2=N1)O~   39.514
28870 CC1(C)C(=O)C2=C(C=C3C(=C2)C=CC4=C3C=CC=C4)C(C)(C)C1(C)C~    6.480
28871 CC[CH]([CH](CC)C1=CC=C(C=C1)C2=CC=CC=C2)C3=CC=C(O)C=C3~    7.801
28872 CCOC(=O)OC1=CC=C(C=C1OC)C(=O)OCCOC(=O)C2=CC(=C(OC(=O)OCC)C=C2)OC~   12.614
28873 CC1=CC(=C(C(=C1)C)C2=CC(=C(C=C2O)C3=C(C)C=C(C)C=C3C)O)C~   12.207
28874 CC(C)(C1=CC=CC=C1)C2=C(O)C=C(C(=C2)O)C(C)(C)C3=CC=CC=C3~   11.842
28875 CC[CH]([CH](CC)C1=CC2=C(OC(=C2)C)C=C1)C3=CC4=C(OC(=C4)C)C=C3~    4.640
28876 CC[CH]([CH](CC)C1=CC=C(OCC#C)C=C1)C2=CC=C(OCC#C)C=C2~    6.481
28877 COC1=C(C=C(C(=C1)C)C(O)(C2=CC=CC=C2)C3=CC=CC=C3)C(C)C~    9.745
28878 CC1=CC(=C(O)C(=C1)C)CC2=CC=CC(=C2O)CC3=C(O)C(=CC(=C3)C)C~   16.146
28879 CCOCC1=C(C=CC=C1)[C](O)(C2=CC=C(OC)C=C2)C3=C(OC)C=CC=C3~   13.071
28882 COC1=CC2=C(C=C1)[C](O)(CCC2)C#C[C]3(O)CCCC4=C3C=CC(=C4)OC~   12.618
28883 CCOCC1=C(C=CC=C1)C(O)(C2=CC=C(OC)C=C2)C3=CC=C(OC)C=C3~   13.071
28886 C[CH]([CH](C(C)=O)C(=O)OCC1=CC=CC=C1)[CH](C(C)=O)C(=O)OCC2=CC=CC=C2~   14.541
28887 CC(=O)O[CH]1CO[CH](O[CH]1[CH]2O[CH](OC[CH]2OC(C)=O)C3=CC=CC=C3)C4=CC=CC=C4~   15.936
28888 COC1=CC(=CC=C1OC(C)=O)[CH]2OC[CH]3[CH]2CO[CH]3C4=CC=C(OC(C)=O)C(=C4)OC~   14.719
28891 CC(=O)OC[CH]1O[CH](SC2=C3C=CC=CC3=CC=C2)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O~   18.003
28892 CC[CH]([CH](O)C1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3~   11.785
28894 CC1(C)OC(=O)C2([CH]1NC3CCCCC3)C4=C(C=CC=C4)C5=CC=CC=C25~    9.772
28896 COC1=CC2=C3C=C(OC)C(=CC3=C4C[CH]5CCCCN5CC4=C2C=C1)OC~   11.535
28898 COC1=CC=C(C=CC(=O)OCCNCCOC(=O)C=CC2=CC=C(OC)C=C2)C=C1~   15.489
28900 CC1=CC=C(C=C1)N2CN(CN(C2)C3=CC=C(C)C=C3)C4=CC=C(C)C=C4~    2.785
28901 CCCCCC1=CC(=C2C=CC=CC2=N1)C(=O)NN=CC3=CC(=C(O)C=C3)OCC~   17.767
28902 CCCCCCC1=CC(=C2C=CC=CC2=N1)C(=O)NN=CC3=CC(=C(O)C=C3)OC~   17.767
28904 C[CH](CC[CH](C)[N+]1=CC2=CC=CC=C2C=C1)[N+]3=CC4=CC=CC=C4C=C3~   13.917
28905 CC1=CC2=C(C=CC=C2)C=[N+]1CCCC[N+]3=CC4=CC=CC=C4C=C3C~   14.079
28906 CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC(=CC=C3)C~    7.967
28907 CCN(CC)C1=CC=C(N[CH]([CH](O)C2=CC=CC=C2)C3=CC=CC=C3)C=C1~   13.431
28908 CN(C)C1=CC=C(C=C1)C=C2CCCC(=CC3=CC=C(C=C3)N(C)C)C2=O~   11.000
28910 CCOC(=O)OC1=CC=C(C=C1OC)C(=O)NCCNC(=O)C2=CC(=C(OC(=O)OCC)C=C2)OC~   17.122
28912 CC(CC(=O)CC1=CC=CC=C1)=NCCN=C(C)CC(=O)CC2=CC=CC=C2~   11.410
28913 C[CH](NCC1=C(O)C=C(CN[CH](C)C2=CC=CC=C2)C(=C1)O)C3=CC=CC=C3~   19.381
28915 CCOC(=O)C1(CCN(CC1)CC(=O)C2=CC=C(NC(C)=O)C=C2)C3=CC=CC=C3~   16.533
28916 O=C([CH]([CH](N1CCOCC1)C(=O)C2=CC=CC=C2)N3CCOCC3)C4=CC=CC=C4~   17.099
28917 COC1=C(C=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)S(O)(=O)=O~   15.567
28918 O=C(CCCCC(=O)NC1=CC=C(C=C1)C2=NCCN2)NC3=CC=C(C=C3)C4=NCCN4~   22.000
28919 CCC(=C(CC)C1=CC(=C(O)C=C1)CC=C)C2=CC=C(O)C(=C2)CC=C~   10.914
28920 CC(C)C(=O)[CH]1[CH]([CH]([CH]1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(C)C~    9.157
28921 CCC(=O)C(CC)(C1=CC=C(O)C(=C1)CC=C)C2=CC=C(O)C(=C2)CC=C~   13.764
28922 CCN(CC)C1=CC(=C(CC2=C3C=CC=CC3=CC=C2OC)C=C1C)C~    7.024
28923 CCCCN(CCCC)C(=CC(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2~   10.309
28925 CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[C]3(SC#N)C(=O)C[C]12C~   16.411
28926 COC(=O)C1=CC(=CC(=C1)OC(=O)C2=CC(=C(OC)C(=C2)OC)OC)CN3CCCCC3~   14.015
28928 COC1=CC=C(C=C1OC)[CH]2[CH]([CH](CC3=C2C=C(OC)C(=C3)OC)C(O)=O)C(=O)N(C)C~   19.562
28929 CCN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)CC3=CNC4=C3C=CC=C4~   16.407
28932 CCN(CC)C1=CC=C(C=C1)C=CC2=CC=C3C=C(C)C=CC3=[N+]2CC~   13.860
28934 O=C([CH]([CH](N1CCOCC1)C2=CC=CC=C2)N3CCCCC3)C4=CC=CC=C4~   13.438
28935 C[CH](CN1CCN(CC1)C[CH](C)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3~   15.234
28936 CCN(CC)CCSC[CH](O)C1=C2C=C(OC)C=CC2=NC(=C1)C3=CC=CC=C3~   17.684
28937 CC1=CC=CC(=C1)[CH]([CH](N2CCOCC2)C(=O)C3=CC=CC=C3)N4CCOCC4~   15.573
28939 CCOC(=O)[C]1(CCN(CC1)C[CH](O)C2=CC=C(NC(C)=O)C=C2)C3=CC=CC=C3~   19.366
28940 C[CH]1CN(C[CH]2COC3=C(O2)C=CC=C3)[CH](C)CN1C[CH]4COC5=C(O4)C=CC=C5~   15.378
28941 COC1=CC=C(C=C1)C(=O)[CH]([CH](N2CCOCC2)C3=CC=CC=C3)N4CCOCC4~   16.845
28942 COC1=C(C=CC=C1)[CH]([CH](N2CCOCC2)C(=O)C3=CC=CC=C3)N4CCOCC4~   16.845
28943 CN(C)CCCOC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(OCCCN(C)C)C=C1~   17.071
28944 CN(C)CCCOC1=CC=CC2=C1C(=O)C3=C(C=CC=C3OCCCN(C)C)C2=O~   17.071
28946 CC(=NNC(=O)CCCSCCCC(=O)NN=C(C)C1=CC=CC=C1)C2=CC=CC=C2~   14.135
28947 O=C(CN1CCOCC1)NC2=CC=C(C=C2)C3=CC=C(NC(=O)CN4CCOCC4)C=C3~   20.403
28948 OC1=C(C=CC=C1)C=NNC(=O)CCCCCCCCC(=O)NN=CC2=C(O)C=CC=C2~   20.005
28949 CCOC1=C(C=CC=C1)C=NNC(=O)CCCCC(=O)NN=CC2=C(OCC)C=CC=C2~   14.742
28950 COC1=CC=C(C=C1)C=NNC(=O)CCCSCCCC(=O)NN=CC2=CC=C(OC)C=C2~   16.836
28951 CCOC(=O)C1(CC(CCC#N)(CCC#N)C(=O)C(CCC#N)(CCC#N)C1)C(=O)OCC~   21.836
28952 O=C(CN1CCOCC1)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(NC(=O)CN4CCOCC4)C=C3~   23.623
28953 CC(=O)OC[CH](OC(C)=O)[CH]1OC(O[CH]([CH](COC(C)=O)OC(C)=O)C1OC(C)=O)C2=CC=CC=C2~   18.246
28955 CS(=O)(=O)O[CH](COC(=O)C1=CC=CC=C1)[CH](OS(C)(=O)=O)[CH](OS(C)(=O)=O)[CH](COC(=O)C2=CC=CC=C2)OS(C)(=O)=O~   24.218
28956 CC[CH]([CH](CC)C1=CC=C(O)C(=C1)CC=C)C2=CC=C(O)C(=C2)CC=C~   10.347
28957 CC[CH]([CH](CC)C1=CC2=C(O[CH](C)C2)C=C1)C3=CC4=C(O[CH](C)C4)C=C3~    5.539
28958 O=C(CCCCCCCCC(=O)SCC1=CC=CC=C1)SCC2=CC=CC=C2~    8.602
28960 O=C(CCCCCCCCC(=O)OCC1=CC=CC=C1)OCC2=CC=CC=C2~    7.703
28961 CCC(=O)OC1=CC=C(C=C1)[CH](C)CC[CH](C)C2=CC=C(OC(=O)CC)C=C2~    6.297
28962 CCOC(=O)CC1=CC=C(CCCCC2=CC=C(CC(=O)OCC)C=C2)C=C1~    7.863
28963 CCOC(=O)COC1=C(C)C=C(SSC2=CC(=C(OCC(=O)OCC)C(=C2)C)C)C=C1C~    9.900
28964 CCCCCC[CH]1CCN(CC1)C2C3=C(C=CC=C3)C4=CC=CC=C24~    6.329
28965 CCCCCCCCCCCC1=C2C=CC=CC2=NC3=C1C=CC=C3~    5.900
28966 CCCCN(CCCC)C[CH](O)C1=CC2=C3C=CC=CC3=CC=C2C=C1~   11.127
28968 OC(C(=O)OCCN1CCCCCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3~    9.548
28970 COC1=CC(=CC(=C1OC)OC)[C](O)(CCN2CCCCC2)C3=CC4=C(OCO4)C=C3~   17.419
28971 CCN(CC)CCC[CH](C)NC1=C2C=C(OC3=CC=CC=C3)C=CC2=NC=C1~   13.499
28972 CCCCN(CCCC)CCNC1=C2C(=O)C3=CC(=CC=C3SC2=C(C)C=C1)[N+]([O-])=O~   15.204
28974 CCCCCN1C(=CC(=C1C)C=CC2=CC=C3C=C(C)C=CC3=[N+]2C)C~   13.296
28975 CCN(CC)C1=CC(=C(C=C1)C=CC2=[N+](C)C3=C(C=CC=C3)C2(C)C)C~   13.863
28977 CN(C)C(=O)C(CCN1CCCC1(C)C)(C2=CC=CC=C2)C3=CC=CC=C3~   12.376
28978 CCCCN(CCCC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1~   12.801
28979 OC[CH](O)[CH](O)[CH](O)[CH](O)C=NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N=C[CH](O)[CH](O)[CH](O)[CH](O)CO~   24.033
28980 CC(C)(CCCCC(C)(C)C(=NO)C1=CC=CC=C1)C(=NO)C2=CC=CC=C2~   10.408
28981 C[CH](CN1CCN(C)CC1)[C](CC2=CC=CC=C2)(OC(C)=O)C3=CC=CC=C3~   12.292
28982 CN(C)C1=CC=C(C=C1)C(=O)CCCCCCC(=O)C2=CC=C(C=C2)N(C)C~   11.866
28983 CC(C)C1=C[C]23CC[CH]4[C](C)(CCC[C]4(C)C(O)=O)[CH]2C[CH]1[CH](C#N)[CH]3C#N~   11.971
28984 C[C](O)([CH]([CH](N1CCOCC1)C2=CC=CC=C2)N3CCOCC3)C4=CC=CC=C4~   18.324
28986 CN(C)C1=CC=C(C=C1)C=NNC(=O)CCCCC(=O)NN=CC2=CC=C(C=C2)N(C)C~   16.130
28987 CN(C)C1=CC=C(C=C1)C=NNC(=O)CCSCCC(=O)NN=CC2=CC=C(C=C2)N(C)C~   18.224
28988 C[CH](S[CH](C)C(=O)NN=CC1=CC=C(C=C1)N(C)C)C(=O)NN=CC2=CC=C(C=C2)N(C)C~   18.224
28989 CCOC1=C(OCC)C=C(C=C1)C=NNC(=N)C(=N)NN=CC2=CC(=C(OCC)C=C2)OCC~   17.783
28991 CCC(=O)O[CH]1C[CH]2[CH]3CCC4=C(C=CC(=C4)OC(=O)CC)[CH]3CC[C]2(C)C1~    6.316
28992 CC(=O)[C]12OC(C)(C)O[CH]1C[CH]3[CH]4CCC5=CC(=O)C=C[C]5(C)[CH]4CC[C]23C~   10.062
28994 C[CH]1C[CH]2[CH]3CC[C](O)(C(=O)COC(C)=O)[C]3(C)CC(=O)[CH]2[C]4(C)CCC(=O)C=C14~   13.063
28995 C[CH]1C[C]2(C)[CH]3[CH](CCC2=CC1=O)[CH]4CC[C](O)(C(=O)COC(C)=O)[C]4(C)CC3=O~   13.063
28996 C[CH]1C[CH]2[CH]3CC[C](O)(C(=O)COC(C)=O)[C]3(C)C[CH](O)[CH]2[C]4(C)C=CC(=O)C=C14~   11.411
28997 CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3C=C(C)C4=CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C~   11.154
28998 CN(C)CC1=CC(=CC(=C1O)C2CCCCC2)C(C)(C)C3=CC=CC=C3~   10.015
28999 CC(=O)NC(=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](COC(C)=O)OC(C)=O~   24.015
29000 C[C]12CC[CH](O)CC1=CC[CH]3[CH]2CC[C]4(C)[CH]3CC[C]4(O)C5=CC=CC=N5~   10.174
29001 CC[CH]([CH](CC)C1=CC(=C(O)C=C1)CN2CCCC2)C3=CC=C(OC)C=C3~   11.286
29002 O=C(OCCN1CCCC12CCCCC2)[CH]([CH]3CCC=C3)C4=CC=CC=C4~    7.678
29003 CCN(CC)CC1=CC(=CC=C1O)C(CC)=C(CC)C2=CC=C(OC)C=C2~   11.498
29004 C[C]12CC[CH]3[CH](CCC4=C3C=C(CN5CCCCC5)C(=C4)O)[CH]1CCC2=O~   12.670
29007 CCCCOC(C(=O)OCCN(CC)CC)(C1=CC=CC=C1)C2=CC=CC=C2~    9.590
29008 CCN(CC)CCOC(=O)C(OCC(C)C)(C1=CC=CC=C1)C2=CC=CC=C2~    9.590
29009 CC[CH]([CH](CC)C1=CC(=C(O)C=C1)CN2CCOCC2)C3=CC=C(OC)C=C3~   13.340
29010 CCOC(=O)C[N+]1(CCCCC1)CCOC(C2=CC=CC=C2)C3=CC=CC=C3~   17.759
29011 CC1=C(O)C(=CC(=C1)C(C)(C)C)CNCC2=C(O)C(=CC(=C2)C(C)(C)C)C=O~   13.567
29012 CCCCOC1=CC=C(C=C1)[C](O)(C(=O)OCCN(CC)CC)C2=CC=CC=C2~   10.544
29014 CCN(CC)C[CH](OC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)[CH](COC)OC~   12.495
29015 COC1=CC=C(C=C1)C(O)(C(=O)OCC[N+]2(C)CCCCC2)C3=CC=C(OC)C=C3~   20.516
29017 CCN1CC2(COC)C(O)CC(OC)C34CC5=C(C=CC(=O)C(=C5)O)C(C(OC)C23)C14~   15.305
29018 CCN(CC)CCOC(=O)C(O)(C1=C(OC)C(=CC=C1)OC)C2=C(OC)C(=CC=C2)OC~   14.597
29020 CC(C)C1=CC=C(CN2CCN(CC2)CC3=CC=C(C=C3)C(C)C)C=C1~    9.583
29021 CNC(=O)C(CC[N+]1(C)CCCC1(C)C)(C2=CC=CC=C2)C3=CC=CC=C3~   20.860
29022 C[CH]1CC(C)(C)[N+](C)(CCC(C(N)=O)(C2=CC=CC=C2)C3=CC=CC=C3)C1~   21.078
29023 C[CH]1CCC[CH](C)[N+]1(C)CCC(C(N)=O)(C2=CC=CC=C2)C3=CC=CC=C3~   21.078
29024 CC(C)N(CCC(C(=O)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)C(C)C~   12.020
29025 CCCC[CH](CC)C(=O)[C](CCN(C)C)(C1=CC=CC=C1)C2=CC=CC=N2~   11.695
29026 COC1=C(OCCN2CCN(CCOC3=C(OC)C=CC=C3OC)CC2)C(=CC=C1)OC~   17.369
29027 CC1=CC=CC(=C1)N2CCN(CCCN3CCN(CC3)C4=CC=CC=C4)CC2~   13.788
29028 CC1=CC=C(C=C1)N2CCN(CCCN3CCN(CC3)C4=CC=CC=C4)CC2~   13.788
29029 CC1=C(C=CC=C1)N2CCN(CCCN3CCN(CC3)C4=CC=CC=C4)CC2~   13.788
29031 COCCCNCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NC(=O)CNCCCOC)C=C2~   23.349
29033 CN1C(=O)N(C)C2=C(N(C)C(=N2)CCCCCCCCC3=NC4=C(N3C)C(=O)N(C)C(=O)N4C)C1=O~   22.013
29034 CCCC1=CC(=CC=C1O)[CH](CC)[CH](CC)C2=CC=C(O)C(=C2)CCC~   10.091
29035 C[CH]1C[C]2(C)[CH]3[CH](O)C[C]4(C)[CH](CCC4=CCOC(C)=O)[CH]3CCC2=CC1=O~   10.690
29036 CC(=O)O[CH]1CC[C]2(C)[CH](CC[CH]3[CH]4CCC[C](O)(C#C)[C]4(C)CC(=O)[CH]23)C1~   11.358
29040 CCC(=O)[C]1(CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C)OC(C)=O~    8.839
29042 C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3[CH](CC(=O)[C]12C)[C]4(C)CCC(=O)C[CH]4CC3=O~   15.231
29043 CC(=O)OC=C1C[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]2(C)C1=O)OC(C)=O~    8.312
29046 CC(C)C1=C[C]23CC[CH]4[C](C)(CCC[C]4(C)C(O)=O)[CH]2C[CH]1[CH]([CH]3C(O)=O)C(O)=O~   15.463
29048 CO[CH]1C[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]2(C)[C]1(O)C(=O)COC(C)=O~   11.699
29049 CCOC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C~   10.533
29051 CCCCN(CCCC)CCCOC1=C(CC2=CC=CC=C2)C=CC=C1~    6.866
29054 O=C(OCCN1CCCC12CCCCC2)[CH](C3CCCC3)C4=CC=CC=C4~    7.622
29055 CCCOC1=C(C[CH](C)N[CH](C)CC2=C(OCCC)C=CC=C2)C=CC=C1~    8.437
29056 CCC(=C(CC)C1=CC=C(OCC[N+](C)(C)C)C=C1)C2=CC=C(OC)C=C2~   17.051
29057 CC[CH]([CH](CC)C1=CC=C(O)C(=C1)CN(CC)CC)C2=CC=C(OC)C=C2~   10.932
29058 CC(=O)[CH]1CC[CH]2[CH]3CC[CH]4C[C]5(CC[C]4(C)[CH]3C(=O)C[C]12C)N[CH](CS5)C(O)=O~   14.063
29059 CCC(CC)C(=O)OCC(C(=O)OC1CC2C3OC3C(C1)[N+]2(C)C)C4=CC=CC=C4~   21.310
29060 CCCCNC[CH]1[CH](O)CC[CH]2CN3CCC4=C(NC5=CC=CC=C45)[CH]3C[CH]12~   17.068
29061 CCN(CC)CCC[CH](C)NC1=NC(=CC(=N1)NC2=CC3=C(N)C=C(C)N=C3C=C2)C~   18.631
29062 CCCCNC(=O)C(C[CH](C)[N+](C)(C)C)(C1=CC=CC=C1)C2=CC=CC=C2~   20.504
29066 CCN(CCCOC1=CC=CC=C1)CCN(CC)CCCOC2=CC=CC=C2~   11.609
29068 CO[CH](C)[CH](NC(=O)[CH]1CCCN1C)[CH]2O[CH](SCCOC(=O)C3=C(O)C=CC=C3)[CH](O)[CH](O)[CH]2O~   27.474
29069 C[C]1(CCC(=O)O1)[CH]2CC[CH]3[CH]4CC=C5C[CH](O)CC[C]5(C)[CH]4CC[C]23C~    7.371
29073 CCCCN(CCCC)CC(C)(C)[CH](O)C1=C2C=CC=CC2=C(OC)C=C1~   10.975
29074 CC(C)C1=CC2=CC[CH]3[C](C)(CCC[C]3(C)C(=O)N4CCOCC4)[CH]2CC1~    8.341
29075 CC[CH]([CH](CC)C1=CC=C(OCC[N+](C)(C)C)C=C1)C2=CC=C(OC)C=C2~   16.483
29076 CC(C)OC(=O)NC[C]1(C)CCC[C]2(C)[CH]1CCC3=C2C=CC(=C3)C(C)C~    7.180
29077 CN(C)CCC(=O)C1=CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C~   11.372
29078 CC(C)[N+](C)(CCOC(COC1=CC=CC=C1)COC2=CC=CC=C2)C(C)C~   18.377
29079 OC(=O)[C](CCN1CCCCCCC1)(C2=CC=CC=C2)C3(O)CCCCCC3~   14.085
29081 CCOC(=O)N1CCN(CCCCCOC2=C(C=CC=C2)C3CCCCC3)CC1~   11.703
29082 CCN(CC)CCN1C(=O)N(CCN(CC)CC)C(=O)C(CC)(C1=O)C2=CC=CC=C2~   18.971
29083 C[CH](OC(=O)OCCOCCOC(=O)O[CH](C)C(=O)OC1CCCCC1)C(=O)OC2CCCCC2~    9.750
29084 CC(=O)O[CH]1[CH](COS(C)(=O)=O)O[CH](O[C]2(COS(C)(=O)=O)O[CH](COS(C)(=O)=O)[CH](OC(C)=O)[CH]2OC(C)=O)[CH](OS(C)(=O)=O)[CH]1OC(C)=O~   34.395
29085 C[C]12CC[CH]3[CH](CC=C4C[CH](CC[C]34C)O[CH]5CCCCO5)[CH]1CC[CH]2O~    8.810
29088 CCCC[CH](CC)COC(=O)C1=CC(=CC=C1)C(=O)OC[CH](CC)CCCC~    4.928
29089 CCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC~    4.928
29090 CCCC[CH](CC)COC(=O)C1=C(C=CC=C1)C(=O)OC[CH](CC)CCCC~    4.928
29092 CCC[CH](C)COC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC(C)C~    4.928
29093 CCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OC[CH](CCC)CCCCC~    4.928
29094 CC(C)CCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCC(C)C~    4.928
29095 CCCCCCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCCCCCC~    4.928
29096 CC(C)CCCCCCCOC(=O)C1=CC=CC(=C1)C(=O)OCCCC(C)C~    4.928
29097 C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC(=O)[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C~   12.833
29100 CCCCCSCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCSCCCCC~    9.117
29101 CCCCCCCCC=CCCCCCCCC(=O)NC1=CC=CC=C1~    6.297
29104 CCN1CC2(CCC(O)C34C5CC6C(O)C5C(O)(CC6OC)C(C(OC)C23)C14)COC~   17.462
29105 CCCCCCN(CCCCCC)CCCNC1=C2C=CC=CC2=CC=N1~   11.100
29106 CCCCCN(CCCCC)C[C](C)(O)CNC1=C2N=CC=CC2=CC(=C1)OC~   16.889
29109 COC1=CC2=C(C=C1)N(CCCCCCCCCN3CCCCC3)CCC2~    7.790
29110 CC(C)(C)C1=CC(=C(O)C(=C1)CNC2CCCCC2)CNC3CCCCC3~   12.527
29111 CCCCCCCCC1=CC(=C(O)C(=C1)CN2CCOCC2)CN3CCOCC3~   16.199
29112 CC=C[C](C=CC)(C(=O)OCCN(C)C)[C](C=CC)(C=CC)C(=O)OCCN(C)C~   11.366
29113 CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1~    9.883
29115 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC=C(C=C1)[N+]([O-])=O~    7.684
29116 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC(=CC=C1)[N+]([O-])=O~    7.684
29117 C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4CCCC[C]4(C)[CH]3CC[C]12C~    4.979
29118 CCCC[CH](CC)CC[CH](CCC(CC)CC)OC(=O)C1=CC=CC=C1~    2.491
29119 C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C~    9.413
29122 C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3C[CH](O)[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C~   10.851
29123 C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C~   12.287
29124 CCCCCCCCCCCCCCCCCC(=NO)C1=CC=CC=C1~    4.356
29125 CCCCCCCCN(CCCCCCCC)C(=O)C1=CC(=CC=C1)C~    6.206
29128 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC=C(O)C=C1~    9.263
29129 CCCCCCCCCCCCCCCCCC(=O)NNC(=O)C1=CC=NC=C1~   11.237
29130 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=C(O)C=C(O)C=C1~   13.246
29131 CCCCCCCCCCCCCCCC(=O)NN[CH](C[N+]([O-])=O)C1=CC=CC=C1~   12.479
29132 C1CCC(CC1)C2CC(CC(C2)C3CCCCC3)C4CCCCC4~   -0.555
29134 CCCCCCCCCCCCCCCCCC(=O)NNC1=CC=CC=C1~    8.620
29135 CCCCCCCCCCCCCCCCNC(=O)NC1=CC=C(C)C=C1~    7.466
29137 C[CH](CCC(=O)NN)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C~   16.357
29138 CCCCCCOC(=O)[CH](C)OC(=O)OCCOCCOC(=O)O[CH](C)C(=O)OCCCCCC~    9.037
29139 CCC(CC)COC(=O)[CH](C)OC(=O)OCCOCCOC(=O)O[CH](C)C(=O)OCC(CC)CC~    9.037
29141 CC(C)C[CH](C)OC(=O)CC(=CC(=O)O[CH](C)CC(C)C)C(=O)O[CH](C)CC(C)C~    7.441
29144 CCCCCCCCCCCCCC[N+]1(C)CCC2=C(C1)C=CC=C2~   12.385
29145 CCCCCCC1=CC=C(C=C1)[CH](O)CN(CCCCC)CCCCC~    8.202
29146 CCCCCCCCCCCCCCCCCCOC1=C(N)C=CC=C1~    4.857
29152 CCCCCCCCC=CCCCCCCCC(=O)OC[CH]1CCCCO1~    4.538
29153 CCCCCC[CH](CC=CCCCCCCCC(=O)OCCCC)OC(C)=O~    4.097
29156 CCCCOC(=O)C[CH](C(=O)OCCCC)C(C)(C)C=C(C)C[CH](C)CCC~    4.025
29157 CC(C)C[CH](C)OC(=O)C[CH](CC(=O)O[CH](C)CC(C)C)C(=O)O[CH](C)CC(C)C~    6.910
29158 CCC(CC)COC(=O)CC(CC(=O)OCC(CC)CC)C(=O)OCC(CC)CC~    6.910
29159 CCCCOCCOC(=O)C[CH](C=C(C)CC(C)(C)C)C(=O)OCCOCCCC~    8.134
29161 CCC(CC)COC(=O)CC(O)(CC(=O)OCC(CC)CC)C(=O)OCC(CC)CC~    7.717
29162 CCCCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C~    7.688
29164 CCCCCCCCCCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC~    9.465
29165 CCCCCCCCC=CCCCCCCCC1=NC(C)(C)CN1CCO~    8.006
29166 CCCCCCCCCCCCCCCCCC1=NC=CN1CCOCCO~    8.207
29168 CCCCCCCCC[C](C)(O)C#C[C](C)(O)CCCCCCCCC~    5.381
29169 CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC~    1.583
29171 CCCCCC[CH](CCCCCCCCCCC(=O)OC(C)(C)C)OC(C)=O~    4.041
29172 CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCC~    4.041
29173 CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C~    4.041
29175 CCCCCCCCCCCCCCCCCC(=O)CN1CCCCC1~    4.327
29176 CCCCCCCCCCCCCCCCCC1=N[CH](C)CC(C)(C)O1~    2.017
29177 C[CH](C[CH](C#C[CH](C[CH](C)CC(C)(C)C)N(C)C)N(C)C)CC(C)(C)C~    6.609
29178 CCCCCCCCCCCCCCCCCC1=NC(C)(C)CN1CCO~    7.951
29179 CCCCCCCCC=CCCCCCCCC1=NCC[N+]1(CCO)CCO~   17.708
29181 C(CN1CCOCC1)CN2CN(CCCN3CCOCC3)CN(CCCN4CCOCC4)C2~   19.693
29182 CCCCCCCCCCCCCC(=O)OC[CH](C)CCC[CH](C)CC~    1.172
29183 CCCCCCCCCCCCCCCCNCCCCCCCC(O)=O~    7.323
29184 CCCCCCCCCCCCCCCCCC1=NCCN1CCN(CS(O)(=O)=O)CS(O)(=O)=O~   15.258
29186 CCCCCCNC(=N)CCCCCCCCCCC(=N)NCCCCCC~    8.886
29188 CCCCCCCCCCS(=O)(=O)OCCCCOS(=O)(=O)CCCCCCCCCC~    7.072
29190 CCCCCCCCN(CCCCCCCC)CCCCCCCC~    1.854
29192 C[CH](C[CH](CC[CH](C[CH](C)CC(C)(C)C)N(C)C)N(C)C)CC(C)(C)C~    5.405
29193 C[N+]1(CCCCCCCCCC[N+]2(C)CCCCCC2)CCCCCC1~   16.646
29194 CCCC[N+]1(CCCC)CC[N+](CCCC)(CCCC)[CH]2CCCC[CH]12~   16.646
29195 CCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC~   10.119
29196 CCCCCCCCCCCCCCCCCC(=O)NCC[N+](N)(CC)CCO~   23.876
29197 OC(=O)C1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1C4=CC5=C(C=CC=C5)C=C4~   15.319
29198 [O-][N+](=O)C1=CC=C2C3=CC=CC=C3C(=NC4=CC=C(C=C4)C5=CC=CC=C5)C2=C1~    9.076
29199 O=C1[CH](C(=O)C2=CC=CC=C2)C3=C(N=C4C=CC=CC4=N3)[CH]1C(=O)C5=CC=CC=C5~   17.860
29200 CC1=CC=CC2=C1C(=O)C3=C(OC(=C3C2=O)C4=CC=CC=C4)C5=CC=CC=C5~   10.686
29201 C1=CC=C(C=C1)C2=CC=C(C=C2)N=C3C4=C(C=CC=C4)C5=CC=CC=C35~    6.672
29202 CC1=CC=CC2=C1OC3=C(C=CC=C3)[CH]2N4C(=S)SC(=CC5=CC6=C(OCO6)C=C5)C4=O~   14.425
29203 CC1=C(C=CC=C1)C2=C3C=CC4=C(C=CC=C4)C3=CC5=C2C=CC=C5~    6.372
29204 CC1=C(C=CC=C1)C2=C3C(=CC4=C2C=CC=C4)C=CC5=C3C=CC=C5~    6.372
29206 C(N1C2=C(C=CC=C2)C3=CC=CC=C13)N4C5=CC=CC=C5C6=CC=CC=C46~    6.616
29207 OC(C=CC1=CC=CC=C1)(C#CC2=CC=CC=C2)C#CC3=CC=CC=C3~   10.738
29210 COC1=C2C=CC=CC2=C(C=C1)[C]3(OC(=O)C4=C3C=CC=C4)C5=CC=CC=C5~    9.320
29211 COC1=C2C=CC(=CC2=CC=C1)[C]3(OC(=O)C4=C3C=CC=C4)C5=CC=CC=C5~    9.320
29212 COC1=CC=C2C=C(C=CC2=C1)[C]3(OC(=O)C4=C3C=CC=C4)C5=CC=CC=C5~    9.320
29214 O=C(C[N+]1=C2C=CC=CC2=CC=C1)C3=CC4=C5C=CC=CC5=CC=C4C=C3~   16.730
29215 O=C(C[N+]1=CC2=CC=CC=C2C=C1)C3=CC4=C(C=C3)C5=C(C=CC=C5)C=C4~   16.730
29217 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4~    5.504
29219 O=C(N(C1=CC=CC=C1)C2=CC=CC=C2)N(C3=CC=CC=C3)C4=CC=CC=C4~    8.530
29220 S=C(NC1=C2C=CC=C3CCC(=C23)C=C1)NC4=C5C=CC=C6CCC(=C56)C=C4~    5.955
29221 CC(=O)NC1=CC=C(C=C1)N=NC2=C(O)C3=C(OC(=O)C4=CC=C(N)C=C4)C=C(C=C3C=C2S(O)(=O)=O)S(O)(=O)=O~   34.503
29222 CC(=O)NC1=C2C(=C(N=NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)S(O)(=O)=O)C(=CC2=CC(=C1)S(O)(=O)=O)S(O)(=O)=O)O~   38.203
29223 CN(C)C1=CC=C(C=C1)C=NC2=CC(=CC3=CC(=C(N=NC4=C(O)C(=CC(=C4)[N+]([O-])=O)[N+]([O-])=O)C(=C23)O)S(O)(=O)=O)S(O)(=O)=O~   31.314
29224 O(C1=CC=CC=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4~    6.775
29225 OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4~    9.963
29227 OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=C(C=CC=C3)C4=CC=CC=C4~    9.963
29229 OC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(O)C=C4~   13.470
29230 OC1=C(O)C=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4~   13.470
29231 CC1(CCC(O)=O)C2=C(OC3=C1C=CC4=C3C=CC=C4)C5=C(C=CC=C5)C=C2~   11.102
29232 OC1=C(CCCC2=CC=C(OC3=CC=CC=C3)C=C2)C(=O)C4=C(C=CC=C4)C1=O~   10.924
29233 NC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4~    8.955
29234 O=C1C[CH](C2=CC=CC=C2)[C](C#N)([CH](C1)C3=CC=CC=C3)C4=CC=CC=C4~   10.951
29235 CC1=C([CH](CC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=C(N1)C=CC=C4~   13.595
29236 NS(=O)(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4~    9.611
29238 COC1=CC=C(C=C1OC)[CH](OC(=O)C2=CC=CC=C2)C3=C4C=CC=CC4=CC=N3~   12.996
29239 CC(=O)OC1=CC=C(C=C1)C=CC2=NC(=CC=C2)C=CC3=CC=C(OC(C)=O)C=C3~   12.269
29241 CCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C=NC3=CC4=CC(=CC(=C4C=C3)O)S(O)(=O)=O~   19.000
29242 CN(C)C1=CC=C(C=CC2=CC(=C3C=CC=CC3=N2)C4=CC=CC=C4)C=C1~   10.714
29243 CCOC(=O)C1=C(N[CH](C2=CC=CC=C2)C3=C(O)C4=NC=CC=C4C=C3)C=CC=C1~   17.509
29244 CN(C)C1=CC=C(C=C1)C=NC2=CC(=CC3=CC(=C(N=NC4=CC=CC=C4)C(=C23)O)S(O)(=O)=O)S(O)(=O)=O~   26.024
29245 COC1=C(OC)C(=C(C=C1)C2=C(C)C(=NC(=C2N)C3=NC4=C(C=C3)C(=O)C(=C(N)C4=O)OC)C(O)=O)O~   33.796
29247 C(N(CC1=CC=CC=C1)CC2=C3C=CC=CC3=CC=C2)C4=CC=CC=C4~    8.726
29248 C(C1=CC=CC=C1)C2=[N+](C=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4~   13.059
29249 OC1=C(CN(CC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4C=C1~   12.710
29250 O[CH]([CH]1CCCCN1)C2=C3C=CC4=C(C=CC=C4)C3=NC(=C2)C5=CC=CC=C5~   16.191
29251 O=C(NCC1=CC=CO1)NC2=CC=C(CC3=CC=C(NC(=O)NCC4=CC=CO4)C=C3)C=C2~   22.879
29254 C[CH]1[CH](CS(=O)(=O)C2=CC=C(C)C=C2)C3C4=C(C=CC=C4)C1C5=C3C=CC=C5~    8.304
29255 CC(C)=CCC1=C2OC(C)(C)C=CC2=C3OC=C(C(=O)C3=C1O)C4=CC=C(O)C=C4~   13.312
29256 CC(C)=CCC1=C2OC(C)(C)C=CC2=C3OC=C(C(=O)C3=C1O)C4=CC=C(O)C(=C4)O~   17.295
29257 C(C=CC1=CC=CC=C1)N(CC=CC2=CC=CC=C2)CC3=CC=CC=C3~    7.991
29259 C[CH]([CH](OC(=O)C1C2=C(C=CC=C2)C3=CC=CC=C13)C4=CC=CC=C4)N(C)C~   10.551
29260 OC([CH](C(=O)N1CCOCC1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4~   17.025
29261 CCN1C=CC(=CC=CC2=C3C=CC=CC3=[N+](CC)C=C2)C4=C1C=CC=C4~   13.979
29262 CC1=CC=C(C=C1)N=C(C(C2=CC=CC=C2)C3=CC=CC=C3)N4CCOCC4~   10.403
29263 CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=CC4=CC=C(C=C4)[N+](C)(C)C~   22.565
29265 O=C(NCC[CH](CNC(=O)C1=CC=CC=C1)CC2=CC=CC=C2)C3=CC=CC=C3~   12.893
29267 CC1=C2OCN(CC3=CC=CC=C3)CC2=C4CN(COC4=C1)CC5=CC=CC=C5~   11.750
29268 CC1=C2OCN(CC3=CC=CC=C3)CC2=CC4=C1CN(CO4)CC5=CC=CC=C5~   11.750
29269 CC1=NC2=C(C=C(NC(=O)C(C)(C)C(=O)NC3=CC4=C(N)C=C(C)N=C4C=C3)C=C2)C(=C1)N~   26.445
29271 CCCCC1=CC=C(C=C1)[CH](CC(=O)C2=CC=CC=C2)C3=CC=CC=C3~    6.660
29272 CCC(=C(CC)C1=CC=C(OCC2=CC=CC=C2)C=C1)C3=CC=C(O)C=C3~    9.575
29273 CC1(C)OC[CH](COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O1~    9.493
29274 CC(C)=CCC1=C2OC(C)(C)CCC2=C3OC=C(C(=O)C3=C1O)C4=CC=C(O)C(=C4)O~   16.910
29275 CN1CC[CH]([CH](C1)C2=CC=CC=C2)C(O)(C3=CC=CC=C3)C4=CC=CC=C4~   12.017
29276 C[CH]([CH](OC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3)N(C)C~   10.094
29277 CN(C)CC[CH](OC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3~   10.094
29279 COC1=CC=C(C=C1)[CH](CN(C)C)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3~   11.445
29280 CC1=CC(=CC=C1)CC2=C(C)C=C(C)C(=C2C)N(CC(O)=O)S(=O)(=O)C3=CC=CC=C3~   10.029
29282 CCN(CC)C(=NC1=CC=C(C)C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3~    7.991
29283 CCN1C=CC(=CC2=[N+](CC)C3=CC=C(C)C=C3C=C2)C4=C1C=CC(=C4)C~   13.996
29284 C[CH](CC(C(=O)NC1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N(C)C~   13.331
29285 COC1=CC=C(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C=C1~   12.481
29286 CCN(CC)CC1=CC=C(N[CH](C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C=C1~   12.063
29288 CC1=CC=C(C=C1)N=C(C(C2=CC=CC=C2)C3=CC=CC=C3)N(CCO)CCO~   13.866
29289 CCOC(=O)C(CC1=CNC2=C1C=C(OCC3=CC=CC=C3)C=C2)(NC(C)=O)C(=O)OCC~   18.385
29290 CCNC1=CC=C(C=C1C)C(=C2C=CC(=NCC)C(=C2)C)C3=CC(=C(C(=C3)S(O)(=O)=O)S(O)(=O)=O)O~   24.245
29292 CC1=C(C)C(=C(C(=C1)C)C2=C(O)C=C(C(=C2)O)C3=C(C)C(=C(O)C=C3C)C)C~   16.146
29293 CC(=O)C1CCC2C1(C)CC3OC34C5(C)CCC(=O)CC56C=CC24C7C6C(=O)OC7=O~   13.801
29294 COC1=CC=C(C=C1OC)C(C2=CC=C(OC)C(=C2)OC)C3=CC=C(OC)C(=C3)OC~   11.780
29295 CCOC1=C(OC)C=C(C=C1OC)[CH]2[CH]3[CH](COC3=O)CC4=C(OCC)C5=C(OCO5)C=C24~   13.967
29296 CC1=CC=C(C=C1)N(CCCC2=CC=CC=C2)CCCC3=CC=CC=C3~    5.719
29297 O[CH](CN1CCC[CH]2CCCC[CH]12)C3=C4C=CC=CC4=C5C=CC=CC5=C3~   11.714
29298 CCN(CC)C[CH](C1=CC=CC=C1)C(O)(C2=CC=CC=C2)C3=CC=CC=C3~   11.662
29300 C[N+](C)(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3~   19.149
29301 CC1=CC=C(C=C1)N(CC2=C(O)C(=CC(=C2)C)C)CC3=C(O)C(=CC(=C3)C)C~   14.005
29302 CN(C)C1=CC=C(C=C1)C(C2=CC=C(NC(C)=O)C=C2)C3=CC=C(C=C3)N(C)C~   13.951
29303 CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2~   27.496
29304 C[CH]1CN(CCOC(=O)NC2=C3C=CC=CC3=CC=C2)CCN1CC4=CC=CC=C4~   16.360
29307 COC1=C([CH](CC2=CC=CC=C2)NCCN3CCOCC3)C4=C(C=CC=C4)C=C1~   14.426
29308 C[CH](OC1=CC=CC=C1)C(O)(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C~   13.471
29309 COC1=CC=C(C=C1OC)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C~   10.465
29310 CCOC1=C(O)C=CC(=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C~   13.097
29311 COC1=C(C=CC(=C1)N(C)C)C(C2=CC=CC=C2)C3=C(OC)C=C(C=C3)N(C)C~   10.465
29312 COC1=CC=CC(=C1OC)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C~   10.465
29313 CCOC(=O)C1=C(C)NC(=C1C)C(C2=C(C)C(=C(C)N2)C(=O)OCC)C3=CC=CC=C3~   13.924
29314 C[N+]1(C)C2CC(CC1C3OC23)OC(=O)C(COC(=O)NC4=CC=CC=C4)C5=CC=CC=C5~   25.708
29315 CCOC(=O)C1=CC=C(NC(=O)CC(C)(C)CC(=O)NC2=CC=C(C=C2)C(=O)OCC)C=C1~   15.730
29316 C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]34)[CH]1CC[CH]2OC(=O)C5=CC=CC=C5~    7.466
29317 CCCCCOC(=O)C1=CC=C(C=C1)C(=O)C2=C(C=CC=C2)C(=O)OCCCCC~    9.109
29318 CC(=O)C1CCC2C1(C)CC3OC34C5(C)CCC(O)CC56C=CC24C7C6C(=O)OC7=O~   14.818
29319 CCCCCC1=CC(=O)C=C(OC)[C]12C(=O)OC3=C2C(=C(C(O)=O)C(=C3)O)CCCCC~   13.830
29321 CC1(C)O[CH]2O[CH]3[CH](CN(CCO)CC4=CC=CC=C4)O[CH](O[CH]3[CH]2O1)C5=CC=CC=C5~   21.370
29322 CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)=C3C=CC(C=C3)=[N+](C)C~   16.714
29323 CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C~    9.807
29324 CCN(CC)CCCCCNC1=C2N=CC=CC2=CC(=C1)OC(=O)C3=CC=CC=C3~   14.462
29325 [O-][N+](=O)C1=C(C=CC=C1)[CH]([CH](N2CCCCC2)C(=O)C3=CC=CC=C3)N4CCCCC4~   13.664
29326 CC(=O)NC1=CC=C(C=C1)C(=O)[CH]([CH](N2CCOCC2)C3=CC=CC=C3)N4CCOCC4~   21.558
29327 O=C([CH]([CH](N1CCCCC1)C2=CC=CC=C2)N3CCCCC3)C4=CC=CC=C4~   11.260
29328 NC(=O)C(CCN1CCCC12CCCCC2)(C3=CC=CC=C3)C4=CC=CC=C4~   13.046
29330 CCCCCN1CCN(CC1)[CH](CC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3~   13.810
29331 CC1=CC(=C(C)C=C1)C(=O)[CH]([CH](N2CCOCC2)C3=CC=CC=C3)N4CCOCC4~   15.530
29333 CCN(CC)C1=CC=C2C(=CC1=O)[CH](CCC3=CC(=C(OC)C(=C23)OC)OC)NC(C)=O~   18.003
29334 CCCC1=C(CN(CC2=C(CCC)C=C3OCOC3=C2)C(=N)OCC)C=C4OCOC4=C1~   15.246
29335 CC(C)CCCCCCCOC(=O)C1=CC=CC(=C1)C(=O)OCC2=CC=CC=C2~    6.636
29336 COC1=CC2=C(C=C1OC)C3(CC2(C)C)CC(C)(C)C4=C3C=C(OC)C(=C4)OC~    8.118
29337 CC(=O)[CH]1CC[CH]2[C]1(C)CC=C3[C]4(C)CC[CH](O)C[C]45C=C[C]23[CH]([CH]5C(O)=O)C(O)=O~   18.356
29338 CC(=O)C1CCC2C1(C)CC3OC34C5(C)CCC(O)CC56C=CC24C(C6C(O)=O)C(O)=O~   21.282
29339 C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CC[C]2(O)C(=O)COC(=O)CCC(O)=O~   16.539
29340 CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)[CH](C[C]4(C)[CH]3C(=O)C[C]12C)OC(C)=O~   14.959
29341 C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)COC(=O)CCC(O)=O)[C]4(C)CC(=O)[CH]23~   18.192
29342 CC(C)C1=CC2=C(C=C1)[CH]3CCC[C](C)(NCC4=CC=CC=C4)[CH]3CC2~    6.483
29344 O[CH](CN1CCC[CH]2CCCC[CH]12)C3=C4C=CC=CC4=C5CCCCC5=C3~   10.728
29346 CCC(=O)C([CH](C)CN1CCCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3~    9.167
29347 CCCCN(CCCC)CCC[C]1(C(=O)OC2=C1C=CC=C2)C3=CC=CC=C3~    7.914
29348 CCC(=C(CC)C1=CC=C(O)C(=C1)CN2CCCCC2)C3=CC=C(OC)C=C3~   11.730
29349 CCOC1=C(OCC)C=C(CC2=[N+](C)C=CC3=C2C=C(OCC)C(=C3)OCC)C=C1~   16.303
29351 CCN(CC)C(=O)C(CCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3~   12.253
29352 C[CH]1CN(CCC(C(=O)N(C)C)(C2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)C1~   12.253
29353 CCCCN(CCCC)CCCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1~   12.678
29354 CCCCN(CCCC)CCNC1=C2C(=O)C3=CC=C(C)C=C3SC2=C(C)C=C1~   12.757
29355 CCCCCCCCCCCC(=O)OC1=CC=C(OCC2=CC=CC=C2)C=C1~    5.279
29360 CC(=O)OC[CH](OC(C)=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[C]35O[CH]5C[C]12C~   16.364
29362 C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)COC(=O)COCC(O)=O)[C]4(C)C[CH](O)[CH]23~   16.565
29363 CCCCCC[CH]1CCCCN1[CH]([CH](O)C2=CC=CC=C2)C3=CC=CC=C3~   10.186
29364 CC[CH]([CH](CC)C1=CC(=C(O)C=C1)CN2CCCCC2)C3=CC=C(OC)C=C3~   11.162
29365 CCN(CC)CCOC(=O)C(OCCC(C)C)(C1=CC=CC=C1)C2=CC=CC=C2~    9.467
29366 CCN1CC2(COC)C(O)CC(OC)C34CC5=C(C=CC(=O)C(=C5)OC)C(C(OC)C23)C14~   18.580
29367 C[CH](CC(C(=O)NCCN1CCCC1)(C2=CC=CC=C2)C3=CC=CC=C3)N(C)C~   16.022
29368 O[CH]1CC[CH]2CN3CCC4=C(NC5=CC=CC=C45)[CH]3C[CH]2[CH]1CN6CCCCC6~   17.082
29369 C[C]12CC[CH]3[CH](CC[CH]4CC(CC[C]34C)=NNC(=O)C5=CC=NC=C5)[CH]1CC[CH]2O~   14.754
29370 CCOC1=CC=C(NC(=O)OCCCCN2CCN(CC3=CC=CC=C3)[CH](C)C2)C=C1~   16.208
29371 CCCCCCC[N+]1(CCN=C1CC2=CC=CC=C2)CCC3=CC=CC=C3~   15.318
29374 CC[CH]([CH](CC)C1=CC(=C(O)C=C1)CN2CCN(C)CC2)C3=CC=C(OC)C=C3~   14.712
29375 CCN(CC)CCOC(=O)C1=C(OCCN(CC)CC)C(=CC=C1)C2=CC=CC=C2~   12.674
29376 CC1=C(C=CC=C1)N2CCN(CCCN3CCN(CC3)C4=C(C)C=CC=C4)CC2~   13.745
29377 CC1=CC=CC(=C1)N2CCN(CCCN3CCN(CC3)C4=CC=CC(=C4)C)CC2~   13.745
29378 CCN(CC)CC(=O)NC1=CC=C(CC2=CC=C(NC(=O)CN(CC)CC)C=C2)C=C1~   15.517
29379 CC(C)CNCC(=O)NC1=CC=C(CC2=CC=C(NC(=O)CNCC(C)C)C=C2)C=C1~   15.955
29380 CC[C](C)(O)C(=O)O[CH]1[CH]2[CH](C)[CH](O)[C]3(O)OC[C]24[CH](C[CH]5C(=C[CH](O)[CH](O)[C]5(C)[CH]34)C)OC1=O~   14.340
29381 CCC1=CC(=C(O)C(=C1)C(C)(C)C)CC2=CC(=CC(=C2O)C(C)(C)C)CC~   10.128
29382 CCC(=O)O[CH]1C[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]2(C)[CH]1OC(=O)CC~    9.016
29384 CC(=O)OCC(=O)[CH]1CC[CH]2[CH]3CC=C4CC5(CC[C]4(C)[CH]3CC[C]12C)OCCO5~    8.788
29387 CC(=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC(=O)[C]12C)OC(=O)CCC(O)=O~   14.559
29388 CCOC(=O)C(=O)CC(=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3C(=O)C[C]12C~   16.268
29391 CCCCCCCCCNC[CH](O)C1=C2C=CC=CC2=C3CCCCC3=C1~   10.236
29392 CCN(CC)CC1=CC(=CC(=C1O)C2=CC=CC=C2)C(C)(C)CC(C)(C)C~    9.478
29393 CCCCN(CCCC)CC[CH](O)C1=C2C=CC=CC2=C3CCCCC3=C1~   10.017
29394 C[N+]1(CCCC12CCCCC2)CCOC(=O)[CH]([CH]3CCC=C3)C4=CC=CC=C4~   15.818
29395 CCCN(CCC)CC1=CC2=C(CC[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O)C=C1O~   12.190
29396 C[C]12CC[CH](O)CC1=CC[CH]3[CH]2CC[C]4(C)[CH]3CC(=CN5CCCCC5)C4=O~   11.357
29397 CCN(CC)CCOC(COC1=CC(=CC(=C1)C)C)COC2=CC(=CC(=C2)C)C~   10.310
29398 CCN(CC)CC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3C(=O)C[C]12C~   13.171
29401 CCCCCN(CCCCC)C[CH](O)C1=CC2=C(C=C1)C=C3CCCCC3=N2~   12.777
29402 CC(C)[N+](C)(CCC(C(=O)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)C(C)C~   20.162
29403 CCCCC[CH](C)[CH](C)C1=CC(=C2C(=C1)OC(C)(C)C3=C2C[CH](C)CC3)O~    6.376
29405 CC(C)CCC(=O)O[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C~    6.147
29406 COC=C(C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(C)=O~    3.666
29409 CC1(OCCO1)[CH]2CC[CH]3[CH]4CC[CH]5CC6(CC[C]5(C)[CH]4C(=O)C[C]23C)OCCO6~   11.250
29410 CCCCCCN(CCCCCC)CC[CH](O)C1=CC2=C(C=CC=C2)C=C1~    9.502
29411 C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3CC(=CN5CCCCC5)C4=O~   11.373
29412 CC(C)[CH](NS(=O)(=O)C1=CC=C(C)C=C1)C(=O)N(C2CCCCC2)C(=O)NC3CCCCC3~   11.955
29413 CCOC(=O)N1CCN(CCCCCCOC2=C(C=CC=C2)C3CCCCC3)CC1~   11.580
29415 COC(=O)CC[CH](C)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[C]35O[CH]5C[C]12C~    9.818
29418 CCCCCCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1~    8.987
29419 COC1=CC2=C(C=C1)N(CCCCCCCCCCN3CCCCC3)CCC2~    7.670
29420 CCCCCCCCCCCCCCCCCC(=O)NN=CC1=C(O)C=CC=C1~   10.631
29426 CCCCCCCCCCCCCCCCCC(=O)NCC1=CC=CC=C1~    6.733
29427 CCN(CC)CC1=CC(=CC(=C1O)C2CCCCC2)C(C)(C)CC(C)(C)C~    8.060
29428 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC=C(OC)C=C1~    6.509
29429 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=C(OC)C=CC=C1~    6.509
29430 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC(=C(OC)C=C1)O~   10.491
29431 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC=C(C)C=C1~    5.237
29434 CCCCN(CCCC)CCCCCCCN1CCCC2=C1C=CC(=C2)OC~    7.313
29435 CCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC2=CC=CC=C2~   17.924
29436 CCCCCCCCCCCCCCCCNC(=O)NC1=CC=C(OCC)C=C1~    8.614
29438 CCCCNCC(=O)NC1=CC(=C(C)C(=C1)NC(=O)CNCCCC)NC(=O)CNCCCC~   22.780
29441 CCCCCCCCC1=CC(=C(O)C(=C1)CN(C)C)C(C)(C)CC(C)(C)C~    7.706
29444 CCCCCC(=O)OCCCC(CCCOC(=O)CCCCC)OC(=O)CCCCC~    6.788
29445 CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1~   11.827
29447 CCCCCCCCC=CCCCCCCCC1=NC(C)(C)CN1C(C)C~    3.446
29448 CCCCCCCCC=CCCCCCCCC1=NC(C)(C)CN1C[CH](C)O~    7.883
29449 CCCCCCCCCCCC(=O)CCCCCCCCCCCC(=O)OC~    4.467
29450 CCCCCCCCCCCC(=O)[CH](CCCCCCCCCC)C(=O)OC~    4.467
29451 CCCCCCCCC(=O)OCCCCCCCOC(=O)CCCCCCCC~    3.917
29452 CCCCCCCCCCN(CCCCCCCCCC)C(=O)[CH](C)OC(C)=O~    6.703
29454 C[C]12CC[CH](C[CH]1CC[CH]3[CH]4CC[CH]([C]4(C)CC[CH]23)[N+](C)(C)C)[N+](C)(C)C~   17.234
29455 CCCCCCCCCCCCCCCCCC1=NC(C)(C)CN1C[CH](C)O~    7.827
29456 CCCCCCCCCCCC(=O)NCNC(=O)CCCCCCCCCCC~    5.924
29457 CCCCCCCCCCCCCCCCCCNC(=O)N[CH](CC(C)C)C(O)=O~   10.000
29458 CCCCCCCCCCCCCCCCCC(=O)NCCCN(CC)CC~    8.453
29459 CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCC(=O)OC~   12.863
29461 [O-][N+](=NC1=CC2=C(C=C1)C3=CC=CC=C3C2=O)C4=CC5=C(C=C4)C6=CC=CC=C6C5=O~   19.730
29463 C1=CC2=C(C=C1)C(C3=CC=CC=C23)=C4C5=C(C=CC=C5)C6=CC=CC=C46~    7.635
29464 C1=CC2=C(C=C1)C3=CC4=C(C=C3C=C2)C5=C(C=CC=C5)C6=C4C=CC=C6~    7.321
29465 C1=CC2=C(C=C1)C3=C(C4=C2C=CC=C4)C5=C(C=CC=C5)C6=C3C=CC=C6~    7.321
29466 O=C1C2=C(C=CC=C2)C(=O)C3=C4N(C5=CC=CC=C5)C6=C(NC4=CC=C13)C=CC=C6~   14.550
29467 O=C(N1C2=C(SC3=C1C=CC=C3)C=CC=C2)C(=O)N4C5=C(SC6=C4C=CC=C6)C=CC=C5~   13.046
29468 O1C2=C(C=CC=C2)C(C3=C1C=CC=C3)=C4C5=C(OC6=C4C=CC=C6)C=CC=C5~    8.611
29469 OC1=CC=C(C=C1)[C]23C4=C(OC5=CC=CC(=C25)C(=O)C6=C3C=CC=C6)C=CC=C4~   13.277
29471 S1C2=C(C=CC=C2)C(C3=C1C=CC=C3)=C4C5=C(SC6=C4C=CC=C6)C=CC=C5~    9.759
29472 C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C4)C5=C2C=CC=C5~    6.519
29474 C1=CC=C(C=C1)C(C2=CC=CC=C2)=C3C4=C(C=CC=C4)C5=CC=CC=C35~    7.063
29475 [O-][N+](=NC1=CC2=C(C=C1)C3=CC=CC=C3C2)C4=CC5=C(C=C4)C6=CC=CC=C6C5~   14.943
29476 O=C1N[C](C(=O)N1C2C3=C(OC4=C2C=CC=C4)C=CC=C3)(C5=CC=CS5)C6=CC=CC=C6~   14.102
29477 OS(=O)(=O)C1=CC=C(NC2=C3C(=O)C4=CC=C(C=C4C(=O)C3=C(NC5=CC=CC=C5)C=C2)S(O)(=O)=O)C=C1~   28.578
29478 [O-][N+](=O)C1=CC=C(C=C1)C(OC(C2=CC=C(C=C2)[N+]([O-])=O)C3=CC=C(C=C3)[N+]([O-])=O)C4=CC=C(C=C4)[N+]([O-])=O~   17.052
29479 OC1=CC=C(C=C1)C2(C3=CC=CC=C3)C4=C(C=CC=C4)C(=O)C5=C2C=CC=C5~   12.273
29480 O1C2=C(C=CC=C2)C(C3C4=C(OC5=C3C=CC=C5)C=CC=C4)C6=C1C=CC=C6~    7.388
29483 O=C1O[C](OC2=CC=C(C=C2)C3=CC=CC=C3)(C4=CC=CC=C4)C5=C1C=CC=C5~    9.467
29484 O=C(OC1=CC=C(C=C1)C2=CC=CC=C2)C3=C(C=CC=C3)C(=O)C4=CC=CC=C4~    9.450
29485 OC1=C(C=CC=C1)C2=CC=C(C=C2)[C]3(OC(=O)C4=C3C=CC=C4)C5=CC=CC=C5~   12.179
29486 OC1=CC=C(C=C1)C2(C3=CC=C(O)C=C3)C4=C(C=CC=C4)C(=O)C5=C2C=C(O)C=C5~   20.239
29487 OC1=CC=C(C=C1)[C]2(OC(=O)C3=C2C=CC=C3)C4=CC=C(OC5=CC=CC=C5)C=C4~   12.724
29488 OC1(C2=C(OC3=C1C=CC=C3)C=CC=C2)C4(O)C5=C(OC6=C4C=CC=C6)C=CC=C5~   13.262
29489 CC1=CC=C2C=CC=CC2=C1C(=N)C3=C4C=CC=CC4=C5C=CC=CC5=C3~    7.830
29490 NC1(C2C3=C(C=CC=C3)C4=CC=CC=C24)C5=C(C=CC=C5)C6=CC=CC=C16~   10.285
29491 OC1=CC(=CC2=CC(=CC(=C12)N=NC3=C4C=CC=C(C4=C(NC5=CC=CC=C5)C=C3)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O~   33.538
29492 OS(=O)(=O)C1=CC2=CC(=C(C=C2C=C1)N=NC3=C4C=CC=CC4=C(NC5=CC=CC=C5)C=C3)S(O)(=O)=O~   23.225
29494 C1=CC=C(C=C1)C2=CC=C(C=CC3=CC=C(C=C3)C4=CC=CC=C4)C=C2~    6.137
29495 C1C2=CC=CC=C2C3=C1C=C(C=C3)C(C4=CC=CC=C4)C5=CC=CC=C5~    5.921
29497 N(C1=CC=C(NC2=CC3=C(C=CC=C3)C=C2)C=C1)C4=CC5=CC=CC=C5C=C4~   11.710
29498 N(C1=CC=CC(=C1)NC2=CC3=C(C=CC=C3)C=C2)C4=CC5=CC=CC=C5C=C4~   11.710
29500 O=C(NC1=CC=C(C=C1)C2=CC=C(NC(=O)C3=CC=CC=C3)C=C2)C4=CC=CC=C4~   13.472
29501 CC1=CC(=C2C(=N1)C=CC3=C2C(=CC(=N3)C)OC4=CC=CC=C4)OC5=CC=CC=C5~   13.291
29502 OC1=C(C=CC=C1)C=NC2=CC=C(SSC3=CC=C(C=C3)N=CC4=C(O)C=CC=C4)C=C2~   15.757
29503 OC1=C(C=CC=C1)C=NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N=CC4=C(O)C=CC=C4~   18.045
29504 O=C(NC1=CC(=C(NC(=O)C2=CC=CC=C2)C=C1)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4~   16.693
29505 S=C(SSC(=S)N(C1=CC=CC=C1)C2=CC=CC=C2)N(C3=CC=CC=C3)C4=CC=CC=C4~    5.032
29506 OC1=CC=C(C=C1)N=NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N=NC4=CC=C(O)C=C4)S(O)(=O)=O)S(O)(=O)=O~   29.662
29508 O=C(C1=CC=CC=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4~    8.287
29509 O=C1O[C](C[CH]1C2=CC=CC=C2)(C3=CC=CC=C3)C4=C5C=CC=CC5=CC=C4~    8.278
29510 O[C]1(C2=CC=CC=C2)C(=CC=CC3=CC=CC=C3)C(=O)C=C1C4=CC=CC=C4~   13.076
29511 OC1(C2=CC=CC=C2)C3=C(C=CC=C3)C(O)(C4=CC=CC=C4)C5=C1C=CC=C5~   11.772
29512 O[C]1(OC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=C1C=CC=C4)C5=CC=CC=C5~   12.309
29513 OC1(C2=C(CC3=CC=CC=C3)C=CC=C2)C4=C(OC5=C1C=CC=C5)C=CC=C4~   10.903
29514 OC(=O)C(O)(C1=CC=C(C=C1)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4~   11.484
29516 CC1=C(C)C=C(C=C1)C(=O)C2=C(OC(=C2C(O)=O)C3=CC=CC=C3)C4=CC=CC=C4~   12.553
29517 OC(=O)C(OC1=CC=C(C=C1)C2=CC=CC=C2)OC3=CC=C(C=C3)C4=CC=CC=C4~   12.369
29518 CC(=O)OC1=CC=C(C=C1)[C]23C4=CC=CC=C4[C]2(OC(C)=O)C5=CC(=CC=C35)OC(C)=O~   11.623
29520 COC1=CC=C(C=C1)C2=C3C=CC=CC3=[N+](C4=CC=CC=C4)C5=C2C=CC=C5~   17.955
29521 OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=C(C=CC=C3)C(=N)C4=CC=CC=C4~   11.421
29522 O=S(=O)(NC1C2=C(OC3=C1C=CC=C3)C=CC=C2)C(C4=CC=CC=C4)C5=CC=CC=C5~   10.708
29523 C[C]12[CH]3C4=C(C=CC=C4)[CH](C5=C3C=CC6=C5C=CC=C6)[C]1(C)C(=O)N(CC(O)=O)C2=O~   14.660
29524 N(C1=CC=CC=C1)C2=NN(C3=CC=CC=C3)C(=NC4=CC=CC=C4)N2C5=CC=CC=C5~   13.421
29525 C1=CC=C(C=C1)C(C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4~    5.382
29529 O=C(OC1=C2C=CC=CC2=CC=C1)N3CCN(CC3)C(=O)OC4=C5C=CC=CC5=CC=C4~   12.224
29531 CC1=CC(=C(N)C=C1N)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=CC(=C(O)C=C4)C(O)=O~   20.951
29532 CC1=C(C=CC=C1S(O)(=O)=O)N=NC2=C(N)C=C(N)C(=C2)N=NC3=CC=C(C=C3)N=NC4=CC(=C(O)C=C4)C(O)=O~   28.730
29534 C(CSC1=C2N=CN(CC3=CC=CC=C3)C2=NC=N1)SC4=C5N=CN(CC6=CC=CC=C6)C5=NC=N4~   17.567
29538 OC(C1=CC=CC=C1)(C2=CC=CC=C2)C(O)(C3=CC=CC=C3)C4=CC=CC=C4~   11.256
29541 O[CH]1O[CH](COC(=O)C2=CC=CC=C2)[CH](OC(=O)C3=CC=CC=C3)[CH]1OC(=O)C4=CC=CC=C4~   18.368
29542 CC1=C(SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C=CC=C1~    7.040
29543 CC1=CC(=CC=C1)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4~    7.040
29544 CC1=CC=C(SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C=C1~    7.040
29546 N(C(C1=CC=CC=C1)C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4~    9.151
29549 CCOC(=O)[C]1(CC2=CC=CC=C2)[CH](N(C(=O)C1=O)C3=CC=CC=C3)C4=CC=CC=C4~   14.217
29551 [O-][N+](=O)C1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=NCCN3)C(=O)NC4=CC=C(C=C4)C5=NCCN5~   25.042
29552 [O-][N+](=O)C1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)C3=NCCN3)C(=O)NC4=CC(=CC=C4)C5=NCCN5~   25.042
29553 [O-][N+](=O)C1=CC=C(NNCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(NC(=O)CNNC4=CC=C(C=N4)[N+]([O-])=O)C=C3)N=C1~   36.510
29554 CN(C)C1=CC=C(C=CC=C2C3=CC=CC=C3C4=C2C=C(NC(C)=O)C=C4)C=C1~   13.353
29555 CCOC(=O)[CH](C#N)C(=NC1=CC=C(C)C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3~   10.693
29556 O=C(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C[N+]4=CC=CC=C4~   20.243
29558 COC1=CC(=CC=C1NS(=O)(=O)C2=CC=CC=C2)C3=CC=C(NS(=O)(=O)C4=CC=CC=C4)C(=C3)OC~   14.567
29559 NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)C=CC3=C(C=C(NS(=O)(=O)C4=CC=C(N)C=C4)C=C3)S(O)(=O)=O)S(O)(=O)=O~   32.200
29560 O=C(NC1=C2C=CC=CC2=CC=C1)N3CCN(CC3)C(=O)NC4=C5C=CC=CC5=CC=C4~   22.347
29562 COC1=C(C=CC=C1)N=NC2=C(C=C3C=C(C=C(N=CC4=CC=C(C=C4)N(C)C)C3=C2O)S(O)(=O)=O)S(O)(=O)=O~   27.252
29563 C(NC1=NN=C(NCC2=CC=CC=C2)C3=C1N=CN3CC4=CC=CC=C4)C5=CC=CC=C5~   17.879
29564 O=C(NC1=CC(=CC=C1)C2=NCCN2)C3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)C5=NCCN5~   22.638
29565 O=C(NC1=CC=C(C=C1)C2=NCCN2)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5~   22.638
29566 O=C(NC1=C(C=CC=C1)C2=NCCN2)C3=CC=C(C=C3)C(=O)NC4=C(C=CC=C4)C5=NCCN5~   22.638
29567 COC1=C(C=C(C)C(=C1)N=NC2=CC=C(C=C2)C(=O)N(C)C)N=NC3=C(O)N=C4C=CC=CC4=C3O~   26.144
29571 NC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)C3=NCCN3)C(=O)NC4=CC(=CC=C4)C5=NCCN5~   26.090
29574 CCN(CC)C1=CC=C(N[CH](C(=O)C2=CC3=C(OCO3)C=C2)C4=CC5=C(OCO5)C=C4)C=C1~   16.470
29575 COC1=C(C=CC(=C1)NC(=O)NCC2=CC=CO2)C3=C(OC)C=C(NC(=O)NCC4=CC=CO4)C=C3~   25.399
29576 COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(OC(=O)C3=CC(=C(OC)C(=C3)OC)OC)C=CC=C2~   14.883
29577 COC1=C(OC(C)=O)C(=CC(=C1)C(=O)C(=O)C2=CC(=C(OC(C)=O)C(=C2)OC)CC=C)CC=C~   14.085
29578 CCN1(CC)(CC1)OC2=CC=C(C=C2)C=C3C4=C(SC5=C3C=CC=C5)C=CC=C4~   17.963
29579 CCCCN(CC1=C(O)C=CC2=CC=CC=C12)CC3=C4C=CC=CC4=CC=C3O~   16.240
29580 CN(C)C1=CC=C(C=C1)C=NC2=CC3=C(C=C2)C4=CC=CC=C4[CH]3N5CCOCC5~   12.783
29581 CC1=C(C=CC(=C1)N=NC2=C(O)C=CC3=C2C=CC=C3)N=NC4=CC(=CC=C4)[N+](C)(C)C~   23.257
29583 CC1=CC2=CC=C(C=CC3=C(C)N(C(=C3)C)C4=CC=CC=C4)[N+](=C2C=C1)CCO~   21.870
29584 CCN(CC)CCN(C(=O)C1C2=C(OC3=C1C=CC=C3)C=CC=C2)C4=CC=CC=C4~   13.023
29585 CN([CH]([CH](N1CCOCC1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4~   13.081
29586 C[CH](N1COC2=C(C1)C=C3OCN(CC3=C2)[CH](C)C4=CC=CC=C4)C5=CC=CC=C5~   11.545
29587 C[CH](N1COC2=C(C1)C=C3CN(COC3=C2)[CH](C)C4=CC=CC=C4)C5=CC=CC=C5~   11.545
29588 CN(CC1=CC=CC=C1)C2=CC(=C(C=C2OC(C)=O)N(C)CC3=CC=CC=C3)OC(C)=O~   11.893
29589 CC1=NC2=C(C=C(OCCCCCCOC3=CC4=C(O)C=C(C)N=C4C=C3)C=C2)C(=C1)O~   20.914
29590 CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCOS(=O)(=O)C2=CC=C(C)C=C2)C3=CC=C(CC#N)C=C3~   16.996
29591 CCC(C)(C(=O)NC1=CC2=C(N)C=C(C)N=C2C=C1)C(=O)NC3=CC4=C(C=C3)N=C(C)C=C4N~   26.322
29593 CC(=O)C1=CC(=C(O)C(=C1)CC2=C(O)C(=CC(=C2)C)C)CC3=C(O)C(=CC(=C3)C)C~   18.886
29594 C[N+]1(C)CCC(C(=O)[CH]1CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4~   17.839
29598 O=C(C[N+]1(CCOCC1)CCC2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4~   19.403
29599 COC1=CC=C(C=C1)[CH](OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)[CH](C)N(C)C~   11.321
29600 CN(C)CCOC(=O)C(OCCOC1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3~   12.446
29601 CCN(CC)C1=CC=C(C=C1)C=CC2=[N+](C3=CC=CC=C3)C4=CC=CC=C4N2C~   16.738
29603 CCCCN(CCO)CC1=C(O)C=CC(=C1)NC2=C3C=CC=CC3=NC4=C2C=CC=C4~   22.072
29604 CN(C)C1=CC=C(C=C1)C2(OC(=O)C3=C2C=CC(=C3)N(C)C)C4=CC=C(C=C4)N(C)C~   12.478
29605 OS(=O)(=O)C1=CC=C(C=C1)N=NN2CN(N=NC3=CC=C(C=C3)S(O)(=O)=O)[CH]4CCCCC[CH]2N4N=NC5=CC=C(C=C5)S(O)(=O)=O~   28.256
29606 CN1CC[C](O)([CH]2CN(C)CC(=CC3=CC=CC=C3)C2=O)C(C1)=CC4=CC=CC=C4~   18.283
29608 CCOC1=CC(=CC=C1)N(CCN(C)C)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3~   13.371
29609 CCOC1=CC=C(C=C1)N(CCN(C)C)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3~   13.371
29610 CCN(CC)C1=CC=C(N[CH](C(=O)C2=CC=C(OC)C=C2)C3=CC=C(OC)C=C3)C=C1~   13.056
29611 CN(C)C1=CC=C(C=C1)[CH]2C[CH](N(N=C2)C3=CC=CC=C3)C4=CC=C(C=C4)N(C)C~    9.873
29614 CCOC(=O)C(CC(=O)C1=CC2=C(OCO2)C=C1)(CC3=CC(=C(OC)C(=C3)OC)OC)C(=O)OCC~   17.475
29615 CC1=C(C)C(=C(C(=C1)C)C2=CC(=C(C=C2O)C3=C(C)C(=C(C)C=C3C)C)O)C~   12.121
29617 COC1=C(CC=C(C)C)C(=C2C(=O)C3=C(CC=C(C)C)C(=C(OC)C=C3OC2=C1)OC)O~   10.179
29619 CC1(C)OC2CC(=O)OCC23C4CCC5(C)C(OC(=O)C6OC56C4(C)C(=O)CC13)C7=COC=C7~   15.593
29620 CC(C)N(CCOC1=C(CC2=CC=CC=C2)C=CC=C1)C[CH](O)C3=CC=CC=C3~   12.889
29621 C[N+](C)(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3~   18.991
29622 CCNC1=CC=C(C=C1)C(=C2C=CC(=N)C=C2)C3=CC(=C(C=C3)N(CC)CC)C~    9.812
29623 CN(C)CCCNC(=NC1=CC=C(C)C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3~   11.638
29624 CC(C)(CCC1=CC=CC=N1)C(=O)C(CCC2=CC=CC=N2)CCC3=CC=CC=N3~   15.249
29625 C[CH]1CN(CCCOC(=O)NC2=C3C=CC=CC3=CC=C2)CCN1CC4=CC=CC=C4~   16.237
29626 C(CN(CCC1=CC=CC=C1)CCC2=CC=CC=C2)NCCC3=CC=CC=C3~   10.870
29628 CC(=O)N1C2=C(C=CC=C2)C([CH](O)CN3CCC[CH]4CCCC[CH]34)C5=C1C=CC=C5~   15.237
29629 CC1(C)[CH]2CC[C]1(C)C(=O)C2=NC3=CC=C(C=C3)N=C4[CH]5CC[C](C)(C4=O)C5(C)C~    7.003
29630 CCOC(=O)C1(CCN(CCC2=CC=C(NC(=O)CCC(O)=O)C=C2)CC1)C3=CC=CC=C3~   19.932
29631 CCN(CC)C1=CC2=[N+](C3=CC=CC=C3)C4=CC(=CC=C4N=C2C=C1)N(CC)CC~   19.100
29632 CCN(CC)C1=CC=C(NC2=CC(=O)C(=CC2=O)NC3=CC=C(C=C3)N(CC)CC)C=C1~   17.270
29633 CC1=C2NC(=O)N3CCN(CC3)C(=O)NC4=CC(=CC=C4C)NC(=O)N5CCN(CC5)C(=O)NC(=C2)C=C1~   40.159
29634 C[C]12CC[CH]3[CH](CC=C4CC(=O)CC[C]34C)[CH]1CC[CH]2OC(=O)C5=CC=CC=C5~    7.069
29635 CCOC(=O)COC1=CC=C(C=C1)C(CC)=C(CC)C2=CC=C(OCC(=O)OCC)C=C2~    9.028
29638 CCOC(=O)C(CC1=C2C=CC=CC2=C(CC(C(=O)OCC)C(=O)OCC)C=C1)C(=O)OCC~   12.947
29641 C[N+](C)(CCCOC1=CC=CC=C1)CCOC(C2=CC=CC=C2)C3=CC=CC=C3~   18.693
29647 CC(C)C1=CC=C(C=C1)[CH]([CH](N2CCOCC2)C(=O)C3=CC=CC=C3)N4CCOCC4~   15.327
29648 CC(C)C1=CC(=CC=C1)C(=O)[CH]([CH](N2CCOCC2)C3=CC=CC=C3)N4CCOCC4~   15.327
29649 CCN(CC)CCOC1=C2C(=O)C3=CC=CC(=C3C(=O)C2=CC=C1)OCCN(CC)CC~   16.824
29651 COC1=CC=C(C=C1)C=NNC(=O)CCCCCCCCC(=O)NN=CC2=CC=C(OC)C=C2~   14.496
29652 O=C(CN1CCCCC1)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(NC(=O)CN4CCCCC4)C=C3~   19.268
29653 CSCC[CH](NCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NC(=O)CN[CH](CCSC)C(O)=O)C=C2)C(O)=O~   31.086
29654 CC(C)C1=CC2=C(C=C1)[C]3(C)CCC[C](C)([CH](O)C4=CC=CC=C4)[CH]3CC2~    7.028
29655 CC[CH]([CH](CC)C1=CC=C(O)C(=C1)CC(C)=C)C2=CC=C(O)C(=C2)CC(C)=C~    9.955
29656 CC(C)C1=C[C]23CC[CH]4[C](C)(CCC[C]4(C)C(O)=O)[CH]2C[CH]1[CH]5[CH]3C(=O)C=CC5=O~   12.509
29657 CC(C)C1=C[C]23CC[CH]4[C](C)(CCC[C]4(C)C(O)=O)[CH]2C[CH]1C5=C3C(=CC=C5O)O~   14.592
29659 CCOC(=O)COC1=CC=C(C=C1)[CH](CC)[CH](CC)C2=CC=C(OCC(=O)OCC)C=C2~    8.460
29660 CC(=O)O[CH]1C[C]2(O)[CH](CC[C]3(C)[CH](CC[C]23O)C4=COC(=O)C=C4)[C]5(C)CC[CH](O)C=C15~   12.442
29661 CO[CH]1[CH](CC[C]2(CO2)[CH]1[C]3(C)O[CH]3CC=C(C)C)OC(=O)C=CC=CC=CC=CC(O)=O~   14.928
29662 CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[CH]3[CH]5OC(C)(C)O[CH]5[C]12C~   13.492
29663 C[CH]1C[CH]2[CH]3CC[C](O)(C(=O)COC(=O)CCC(O)=O)[C]3(C)C[CH](O)[CH]2[C]4(C)C=CC(=O)C=C14~   16.417
29664 CCCCCN(CCCCC)C[CH](O)C1=C2C=CC=CC2=C3C=CC=CC3=C1~   10.879
29665 CC(C)CCN(CCC(C)C)C[CH](O)C1=CC2=C3C=CC=CC3=CC=C2C=C1~   10.879
29666 CCCCN(CCCC)CC[C](C)(O)C1=C2C=CC=CC2=C3C=CC=CC3=C1~   10.879
29669 CCCCCCCCCCCCOC(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2~    8.896
29671 CC(C)[CH](N1C(=O)C2=CC=CC=C2C1=O)C(=O)N(C3CCCCC3)C(=O)NC4CCCCC4~   16.812
29673 CCCCCN(CCCCC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1~   12.554
29674 CCCCN(CCCC)CCCCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1~   12.554
29675 CCCCN(C(=O)OCCCCOC(=O)N(CCCC)C1=CC=CC=C1)C2=CC=CC=C2~    7.258
29676 O=S(=O)(C1=CC=C(OCCCN2CCOCC2)C=C1)C3=CC=C(OCCCN4CCOCC4)C=C3~   19.504
29677 COC1=C(C=CC(=C1)NC(=O)N2CCN(C)CC2)C3=C(OC)C=C(NC(=O)N4CCN(C)CC4)C=C3~   29.602
29679 C[C]12CC[CH]3[CH](CCC4=C3C=CC(=C4)O)[CH]1CC[CH]2OC(=O)CCC5CCCC5~    8.243
29680 CC(=O)OC1=CC2=C(C)C[CH]3[CH](CC[C]4(C)[CH]3CC[C]4(OC(C)=O)C(C)=O)[C]2(C)CC1~    6.943
29681 C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)COC(=O)CCCC(O)=O)[C]4(C)C[CH](O)[CH]23~   16.087
29682 CCCCCCCC[CH]1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3~    5.625
29684 CCN(CC)CC1=CC(=CC(=C1O)C2CCCCC2)C(C)(C)C3=CC=CC=C3~    9.770
29686 CCCCCN(CCCCC)CC[CH](O)C1=CC2=C(C=C1)C3=CC=CC=C3C2~   10.245
29687 CC[CH]([CH](CC)C1=CC=C(C=C1)[CH](O)CN2CCCCC2)C3=CC=C(OC)C=C3~   11.493
29689 CC(C)(C)C1=CC=C(CN2CCN(CC2)CC3=CC=C(C=C3)C(C)(C)C)C=C1~    9.336
29690 C[CH](CC(C(=O)NC1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3)[N+](C)(C)C~   20.614
29691 CCN(CC)CCC(C(=O)N(C(C)C)C(C)C)(C1=CC=CC=C1)C2=CC=CC=C2~   11.775
29693 CCCSC1=C(C=CC=C1)N2CCN(CCC[CH](CO)C3=CC=C(OC)C(=C3)OC)CC2~   16.387
29696 CC(C)CCN(CCC(C)C)C[CH](O)C1=C2C=CC=CC2=C3CCCCC3=C1~    9.893
29697 CCCCCN(CCCCC)C[CH](O)C1=C2C=CC=CC2=C3CCCCC3=C1~    9.893
29698 CCCCCCN(CCCCCC)C[CH](O)C1=C2C=CC=C3CCC(=C23)C=C1~    7.564
29702 CCCCCCCN(CCCCCCC)C(=N)C1=C2C=CC=CC2=C(OC)C=C1~    7.815
29703 CCCCN[CH](C)[CH](O)C1=CC=C(C=C1)C2=CC=C(C=C2)[CH](O)[CH](C)NCCCC~   15.234
29706 C[C]12CCC(=O)C[CH]1CC[CH]3[CH]4CC[CH](OC(=O)C5CCCCC5)[C]4(C)CC[CH]23~    6.123
29707 CCSC(=O)[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(C)=O~    5.650
29708 CCCC[CH](CC)COC(=O)C(=CC1=CC=CC=C1)C(=O)OC[CH](CC)CCCC~    6.484
29711 CCCCCCCCCCCCCCCCNC1=C2C=CC=CC2=CC=C1~    4.544
29713 CCCCCN(CCCCC)CC(C)(C)[CH](O)C1=C2C=CC=CC2=C(OC)C=C1~   10.728
29714 CCCCCCCCN(CCCCCCCC)C(=N)C1=C2C=CC=CC2=NC=C1~    9.224
29715 CCCCN(CCCC)CCCCCCC[CH](O)C1=C2C=C(OC)C=CC2=NC=C1~   13.489
29717 CCCCCCCCOC1=CC=C(OCCOCC[N+](C)(N)CC2=CC=CC=C2)C=C1~   20.810
29718 OC1=C(CN2CCOCC2)C(=C(O)C(=C1CN3CCOCC3)CN4CCOCC4)CN5CCOCC5~   31.939
29719 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C~    3.154
29720 CCSC(=O)CC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C~    7.218
29722 CCCC[CH](CC)COC(=O)C1=CC=C(C=C1)C(=O)OCCCCCCCC(C)C~    4.682
29724 C[C]1(O)CC[CH]2[CH]3CC[CH]4CCC(C[C]4(C)[CH]3CC[C]12C)=CN5CCCCC5~    7.558
29725 CCCCCCCCCCNC(=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](COC(C)=O)OC(C)=O~   18.277
29726 C[CH](CCC(=O)NCC(O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C~   17.465
29729 S=C(SC(=S)N(C1CCCCC1)C2CCCCC2)N(C3CCCCC3)C4CCCCC4~    3.721
29730 S=C(SSSC(=S)N(C1CCCCC1)C2CCCCC2)N(C3CCCCC3)C4CCCCC4~    3.345
29732 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC=C(NC(C)=O)C=C1~   11.221
29735 CCCCCCCCCCCCCCCCCC(=O)CCC1=CC=CC=C1~    3.306
29736 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3C=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C~    3.900
29738 CCCC[CH](CC)CC[CH](CC[CH](CC)CCCC)OC(=O)C1=CC=CC=C1~    2.245
29739 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC[CH]4OC(=O)CC[C]4(C)[CH]3CC[C]12C~    2.349
29741 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CCC(=O)[C](C)(CCC(O)=O)[CH]3CC[C]12C~    7.793
29744 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=C(OCC)C=CC=C1~    6.385
29746 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=C(OC)C(=CC=C1)OC~    7.735
29747 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC(=C(OC)C=C1)OC~    7.735
29748 CCCCCCCCCCCCCCCCCCNC(=S)NN=CC1=C(O)C=C(O)C=C1~   13.000
29749 CCCCN(CCC)CCCCCCCCCCN1CCCC2=C1C=CC=C2~    5.839
29750 CCCCN(CC)CCCCCCCCCCN1CCCC2=C1C=CC(=C2)OC~    7.190
29752 O=C(CCCCCC1CCCCC1)OCCOC(=O)CCCCCC2CCCCC2~    4.507
29754 CCCCN(CCCC)CC(CN(CCCC)CCCC)OC(=O)NC1=CC=CC=C1~   12.547
29758 CCCCCCCCCCCC[N+]1=CC=C(CCCCCCCCC)C=C1~    7.442
29759 CCCCCCCCC=CCCCCCCCC1=NC(C)(C)CN1C(C)(C)CO~    7.759
29760 CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCC~    3.796
29761 CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C~    3.796
29762 CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC~    3.796
29765 CCCCCCCCCCCCCCCCCC1=NC(C)(C)CN1C(C)(C)CO~    7.703
29767 CCCCCCCCCCCCNC(=S)C(=S)NCCCCCCCCCCCC~    5.983
29768 CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O~    3.308
29770 CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCC(O)=O~   15.124
29772 CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC~    9.873
29777 O=C(N1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5~    9.333
29778 O1C(=CN=C1C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5~    9.611
29779 [O-][N+](=O)C1=CC=C(CN(CC2=CC=C(C=C2)[N+]([O-])=O)C3=CC4=C(C=C3)C5=CC=CC=C5C4=O)C=C1~   14.963
29780 OC1=C2C=CC=CC2=C(C=C1N=NC3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)C=C(C=C5)S(O)(=O)=O)S(O)(=O)=O~   30.141
29783 CC1=CC=C(C=C1)N=C2C3=CC=CC=C3C4=C2C=C(NC(=O)C5=CC=CC=C5)C=C4~   12.159
29784 [O-][N+](=O)C1=CC=C(COC2=CC=C(C=C2)C(=O)C3=CC=C(OCC4=CC=C(C=C4)[N+]([O-])=O)C=C3)C=C1~   15.161
29785 S=C(NC1=CC2=C(C=C1)C3=CC=CC=C3C2)NC4=CC5=C(C=C4)C6=CC=CC=C6C5~   10.333
29786 O=C(C1=CC=CC=C1)C(C2=CC=CC=C2)=C(C3=CC=CC=C3)C4=CC=CC=C4~    9.333
29788 O=C(OC(C1=CC=CC=C1)=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4~    7.684
29789 COC1=CC=C(C=C1)C2(C3=CC=CC=C3)C4=C(C=CC=C4)C(=O)C5=C2C=CC=C5~    9.519
29790 OC1=C(C=CC2=C1C=CC=C2)C(O)(C3=CC=CC=C3)C4=C(O)C5=C(C=CC=C5)C=C4~   18.836
29793 CNC1(C2C3=C(C=CC=C3)C4=CC=CC=C24)C5=C(C=CC=C5)C6=CC=CC=C16~    9.943
29795 CC1=CC(=[N+](C=C1)C2=C(O)C(=O)C3=C(C4C5=C(C=CC=C5)C3C6=C4C=CC=C6)C2=O)C~   20.244
29797 O[CH]1C2=CC=CC=C2C3=C1C=C(C=C3)N(CC4=CC=C(C=C4)[N+]([O-])=O)CC5=CC=C(C=C5)[N+]([O-])=O~   17.006
29798 COC1=C(NC(=O)NC2=CC=C(C=C2)N=NC3=CC(=C(O)C=C3)C(O)=O)C=CC(=C1)N=NC4=CC(=CC=C4)S(O)(=O)=O~   28.220
29799 O=C(CC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4~    8.164
29800 COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC4=C(C=C3)C5=CC=CC=C5C4~    7.851
29801 O[C]1(OC2=CC=CC=C2[CH]([CH]1C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5~   11.402
29802 O=C(OC1=CC=C(CC2=CC=CC=C2)C=C1)OC3=CC=C(CC4=CC=CC=C4)C=C3~    6.172
29803 O=C(O[CH]1[CH]2CO[CH](O2)[CH](OC(=O)C3=CC=CC=C3)[CH]1OC(=O)C4=CC=CC=C4)C5=CC=CC=C5~   15.519
29804 O[CH]1C2=CC=CC=C2C3=C1C=C(C=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5~   12.198
29805 [O-][N+](=O)C1=CC(=C(OCC2=CC=CC=C2)C(=C1)OCC3=CC=CC=C3)OCC4=CC=CC=C4~   11.635
29806 CC1=CC(=C(C)C=C1N)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=CC(=C(O)C=C4)C(O)=O~   17.456
29807 CC1=CC=C(C=C1)N=C(NC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4~    9.180
29808 COC1=CC2=C(C=C(N=C2C=C1)C3=CC=CC=C3)C(=O)C=CC4=CC=C(C=C4)N(C)C~   14.670
29809 O=C(NNC(=O)C1=CC=NC=C1)NC2=CC=C(CC3=CC=C(NC(=O)NNC(=O)C4=CC=NC=C4)C=C3)C=C2~   38.283
29810 CC1=CC(=C(N)C=C1N)N=NC2=C(C)C(=C(C=C2)N=NC3=CC=C(C=C3)N=NC4=CC(=C(O)C=C4)C(O)=O)S(O)(=O)=O~   28.688
29811 CO[CH]1OC[CH](OC(=O)C2=CC=CC=C2)[CH](OC(=O)C3=CC=CC=C3)[CH]1OC(=O)C4=CC=CC=C4~   15.162
29814 COC(=O)[CH](CC(NC(=O)C1=CC=CC=C1)=CNC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3~   19.917
29815 CCN(CC)C1=CC=C(C=CC2=CC(=C3C=CC=CC3=N2)C4=CC=CC=C4)C=C1~   10.469
29816 CC(C)(C1=CC=C(NC2=CC=CC=C2)C=C1)C3=CC=C(NC4=CC=CC=C4)C=C3~   10.492
29817 CC[C](O)([CH](C1=CC=CC=C1)C2=CC=CC=N2)[CH](C3=CC=CC=C3)C4=CC=CC=N4~   15.215
29820 OC(CC(=O)OCC1=CC=CC=C1)(CC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3~   12.842
29821 CCOC(=O)[CH](C(C)=O)C(=NC1=CC=C(C)C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3~   10.483
29822 COC1=CC2=C(C=CC1=O)C3=C(OC)C(=C(OC)C=C3CCC2N=CC4=CC=CC=C4)OC~   12.544
29823 COC1=CC=C2C(=CC1=O)[CH](CCC3=CC(=C(OC)C(=C23)OC)OC)NC(=O)C4=CC=CC=C4~   17.450
29824 CC1=C(NS(=O)(=O)C2=CC=CC=C2)C(=C(NS(=O)(=O)C3=CC=CC=C3)C(=C1NS(=O)(=O)C4=CC=CC=C4)C)C~   15.233
29825 O=C(NC1=CC=CC=C1)OC[CH]2OCO[CH](COC(=O)NC3=CC=CC=C3)[CH]2OC(=O)NC4=CC=CC=C4~   20.666
29826 CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=CC=CC4=CC=C(C=C4)[N+](C)(C)C~   22.465
29827 CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=C(O)C=CC4=CC=CC=C34~   13.002
29830 CN(C)C1=CC=C(C=C1)C(=C2C=CC(C=C2)=[N+](C)C)C3=C4C=CC(=CC4=CC(=C3)S([O-])(=O)=O)S(O)(=O)=O~   28.587
29832 COC1=CC(=CC(=C1OC)OC)[CH]2[CH]([CH](CO)[CH](O)C3=C2C=C4OCOC4=C3)C(=O)NN=CC5=CC=CO5~   23.240
29833 COC1=CC=C(C=C1)C2=COC3=C4C=CC(C)(C)OC4=C(CC=C(C)C)C(=C3C2=O)OC~   10.903
29834 COC1=C(OC)C=C(C=C1)C2=COC3=C4C=CC(C)(C)OC4=C(CC=C(C)C)C(=C3C2=O)O~   11.785
29835 COC1=CC=C(C=C1OC)C2=COC3=C4C=CC(C)(C)OC4=C5CCC(C)(C)OC5=C3C2=O~   12.625
29837 CCN(CC)CCCOC1=CC=C(C=C1)C=C2C3=C(C=CC=C3)C4=CC=CC=C24~    9.754
29841 CCN(CC)CCN(CC1=CC=CC=C1)C(=O)C2C3=C(OC4=C2C=CC=C4)C=CC=C3~   14.485
29842 O=C([CH]([CH](N1CCOCC1)C2=CC=CC=C2)N3CCOCC3)C4=C5C=CC=CC5=CC=C4~   16.627
29844 O=C([CH]([CH](N1CCOCC1)C2=C3C=CC=CC3=CC=C2)N4CCOCC4)C5=CC=CC=C5~   16.627
29845 COC1=CC(=C2N=CC=CC2=C1)N=NC3=C(C=C(N)C(=C3)CC4=CC=C(C=C4)N(C)C)N(C)C~   18.053
29846 CC1=NC2=C(C=C(NC(=O)CCCCCC(=O)NC3=CC4=C(N)C=C(C)N=C4C=C3)C=C2)C(=C1)N~   26.199
29847 CCC(CC)(C(=O)NC1=CC=C2N=C(C)C=C(N)C2=C1)C(=O)NC3=CC4=C(C=C3)N=C(C)C=C4N~   26.199
29848 CCCC(C)(C(=O)NC1=CC2=C(N)C=C(C)N=C2C=C1)C(=O)NC3=CC4=C(C=C3)N=C(C)C=C4N~   26.199
29851 CC(C)C1=CC(=C(C)C=C1O)C2(OS(=O)(=O)C3=C2C=CC=C3)C4=C(C)C=C(O)C(=C4)C(C)C~   16.018
29852 CCN(CC)[CH](CC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C=C~    7.106
29854 CCCCCCOC1=CC=C(C=C1)C2=C3C=CC=CC3=[N+](CC)C4=CC=CC=C24~   13.449
29855 CCCCCCOC1=CC=C(C=C1)C2=C3C=C(OC)C=CC3=[N+](C)C4=CC=CC=C24~   14.799
29856 CCCN(CCC)C(=O)[CH](C1=CC=CC=C1)C(O)(C2=CC=CC=C2)C3=CC=CC=C3~   14.369
29857 COC1=CC=C(C[CH](C2=CC=CC=C2)C3=CC=C(OCCN4CCOCC4)C=C3)C=C1~   12.090
29858 O=C(CC1=CC=CC=C1)NCCCN(CCC2=CC=CC=C2)CCC3=CC=CC=C3~   13.701
29859 CCN(CC)CCN(C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=C(OC)C=C3~   13.247
29862 CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH](CNC1=C(C=C(C)C(=C1)C)N=NC2=CC=C(C=C2)[N+]([O-])=O)OC(C)=O~   20.262
29863 CN(C)C(=O)OC1=CC2=C(C=C1OC(=O)N(C)C)[C]34CCN5CC6=CCO[CH]7CC(=O)N2[CH]3[CH]7[CH]6C[CH]45~   19.790
29864 C[CH]1O[CH](O[CH]2[CH](O)[CH](CO)OO[CH]2COC3=CC4=C(C(=O)C[CH](O4)C5=CC=C(O)C=C5)C(=C3)O)[CH](O)[CH](O)[CH]1O~   29.281
29865 CC(C)C1=CC2=C(C=C1)[C]3(C)CCC[C](C)(COC(=O)C4=CC=CC=C4)[CH]3C=C2~    5.208
29866 C[C]12CC[CH]3[CH](CCC4=C3C=CC(=C4)O)[CH]1CC[CH]2OC(=O)CCC5=CC=CC=C5~    9.595
29868 CC(=O)OC1CCC2(C)C3(C1)C=CC4(C5CCC(C(C)=O)C5(C)CC6OC246)C7C3C(=O)OC7=O~   13.005
29870 CC(C)N(C[CH](C1=CC=CC=C1)C(O)(C2=CC=CC=C2)C3=CC=CC=C3)C(C)C~   11.415
29871 COC1=CC=C2C(=CC1=O)[CH](CCC3=CC(=C(OC)C(=C23)OC)O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)NC(C)=O~   28.190
29872 CCCCN(CCCC)CCC(=O)C1=C(OC(=C1)C2=CC=CC=C2)C3=CC=CC=C3~    9.682
29873 CCCCN(C[CH](O)C1=C2C=CC=CC2=C3CCCCC3=C1)C4=CC=C(OC)C=C4~   11.368
29874 CCN(CC)CCOC1=CC=C(C=C1)[C](O)(CC2=CC=C(OC)C=C2)C3=CC=CC=C3~   14.117
29876 O[CH]1CC[CH]2CN3CCC4=C(NC5=CC=CC=C45)[CH]3C[CH]2[CH]1CNCC6=CC=CC=C6~   18.530
29877 C[CH]1CN(CCCOC(=O)NC2=C3C=CC=CC3=CC=C2)CCN1CCC4=CC=CC=C4~   16.114
29879 CO[CH]1[CH](C[CH]2CN3CCC4=C(NC5=CC(=CC=C45)OC)[CH]3C[CH]2[CH]1C(=O)OC)OC(=O)CC(C)=O~   21.056
29880 CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(C=C2)=[N+](CC)CC)C3=C(C=C(C(=C3)O)S(O)(=O)=O)S([O-])(=O)=O~   31.067
29882 COC1=C(OC)C=C(CC(=O)C2=C3OC(C)(C)CCC3=C4OC(C)(C)CCC4=C2OC)C=C1~   12.128
29884 CCCCN(CCCC)C[CH](O)C1=C2C=CC=CC2=C(OCC3=CC=CC=C3)C=C1~   12.438
29886 CN(C)C1=CC=C(C=C1)C(C2=C(C)C=C(C=C2)N(C)C)C3=C(C)C=C(C=C3)N(C)C~    9.721
29887 COC1=C(C=CC(=C1)N(C)C)C(C2=CC=C(C=C2)N(C)C)C3=C(OC)C=C(C=C3)N(C)C~   12.264
29888 CCCCN(CCCC)CCCN1C(=CC=C1C2=CC=CC=C2)C3=CC=CC=C3~    8.263
29889 CCN(CC)CCC[CH](C)N[CH](CC1=CC=CC=C1)C2=C3C=CC=CC3=CC=C2~   10.419
29890 CC(C)(C)C1=CC=C(C=C1)C(=O)[CH]([CH](N2CCOCC2)C3=CC=CC=C3)N4CCOCC4~   15.204
29892 COC1=CC=C(C=C1)[CH]([CH](N2CCOCC2)C(=O)C3=CC=C(C=C3)C(C)C)N4CCOCC4~   16.554
29893 CCOC1=CC=C(NC(=O)N([CH](C)CCCN(CC)CC)C2=C3C=CC=CC3=NC=C2)C=C1~   16.208
29894 COC(=O)CCCCCC1=CC=C(CC2=CC=C(CCCCCC(=O)OC)C=C2)C=C1~    7.495
29895 C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CC[C]2(O)C(=O)COC(=O)C5CCCC5~   11.397
29896 CCCCCCCCCCCCCCC1=C2C=CC=CC2=C3C=CC=CC3=N1~    5.530
29897 CCCCCN(CCCCC)CC[CH](O)C1=C2C=CC=CC2=C3C=CC=CC3=C1~   10.757
29899 CN(C=C1C[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]2(C)C1=O)C5=CC=CC=C5~   11.016
29902 CN(C)C1=C(C)C=C(C=C1)C(=C2C=CC(C=C2)=[N+](C)C)C3=CC=C(C=C3)[N+](C)(C)C~   19.783
29904 CCCCCN(CCCCC)CCCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1~   12.431
29905 CCN(CC)CCOC(=O)C1=CC=C(NC(=O)NC2=CC=C(C=C2)C(=O)OCCN(CC)CC)C=C1~   20.207
29906 CCCCCCC(=O)O[C]1(CC[CH]2[CH]3CCC4=CC(=O)CC[CH]4[CH]3CC[C]12C)C#C~    6.807
29908 C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)COC(=O)C5CCCC5)[C]4(C)C[CH](O)[CH]23~   11.068
29910 C[CH]1CN[CH]([CH](O)C1)[CH](C)C2=CC=C3[CH]4CC=C5C[CH](O)CC[C]5(C)[CH]4CC3=C2C~   11.055
29912 C[CH]1CN[CH]2[CH](C)[C]3(CC[CH]4[CH]5CC=C6C[CH](O)CC[C]6(C)[CH]5C(=O)C4=C3C)O[CH]2C1~   14.815
29913 CCCCCCCOC(C(=O)OCCN(CC)CC)(C1=CC=CC=C1)C2=CC=CC=C2~    9.221
29914 CCN(CC)CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[CH]3[CH](O)C[C]12C~   13.292
29917 C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2OC(=O)CCC5CCCC5~    6.256
29918 CCCCCC(=O)O[C]1(CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C)C(C)=O~    8.469
29920 CCC(CC)C(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C~   10.712
29921 CC(=O)O[CH]1CC[C]2(C)[CH](CC[CH]3[CH]4CC[C]5(O[C]5(C)OC(C)=O)[C]4(C)C[CH](OC(C)=O)[CH]23)C1~   10.876
29922 CC(=O)O[CH]1C[C]2(C)[CH](CC[CH]2C3(C)OCCO3)[CH]4C[CH]5O[C]56CC7(CC[C]6(C)[CH]14)OCCO7~   13.366
29923 CC(=CN1CCCCC1)[CH]2CC[CH]3[CH]4CCC5=CC(=O)CC[C]5(C)[CH]4CC[C]23C~    6.674
29926 CCN(CC)CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C~   12.963
29927 CCCCCCCCCCN=C(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C~    6.991
29928 CCCCCCCCCCCCCCCCNC(=O)NC1=C2C=CC=CC2=CC=C1~    8.519
29929 CCCCCCCCCCCCCCCCNC(=O)NC1=CC2=C(C=CC=C2)C=C1~    8.519
29930 CCN(CC)CCOC1=CC=C(C=C1)C(C)(C)C2=CC=C(OCCN(CC)CC)C=C2~   11.400
29931 CCCCCCCCCCCC[N+]1=CC=C(CCS(=O)(=O)C2=CC=C(NC(C)=O)C=C2)C=C1~   19.015
29932 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3[CH](CC[C]12C)[C]4(C)CCC=CC4=CC3=O~    3.176
29933 C[CH]1CC[C]23CC[CH]([CH](C)[CH]2C(=O)[CH]4[CH](C)[CH]5CC[C]46CC[CH](C)C[CH]56)[CH]3C1~    3.485
29935 C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC=C6C[CH](O)CC[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C~    8.799
29936 CCSC(=O)CC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC=O~    5.268
29937 C[CH](CCC(O)=O)[CH]1CC[C]2(C)[CH]3[CH](C(=O)C[C]12C)[C]4(C)CC[CH](O)C(C)(C)[CH]4CC3=O~   15.883
29938 C[CH](CC=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3C[CH](OC(C)=O)[C]12C)OC(C)=O~    8.253
29939 C[CH]1C[CH]2[CH]3CC[CH](C(C)=O)[C]3(C)CC(=O)[CH]2[C]4(C)CCC5(C[C]14O)OCC(C)(C)CO5~   14.395
29941 CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1~   16.818
29942 C[CH]1CC[C]2(NC1)O[CH]3C[CH]4[CH]5CC=C6C[CH](O)CC[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C~    9.914
29943 C[CH]1CC[CH]2N(C1)C[CH]3[CH]4C[C]56O[C]7(O)[CH](O)CC[C]5(C)[CH]7C[CH](O)[CH]6[C]4(O)[CH](O)[CH](O)[CH]3[C]2(C)O~   19.987
29944 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C=CCC[C]4(C)[CH]3CC[C]12C~   -0.516
29945 CCCCCCCCN(CCCCCCCC)C[CH](O)C1=C2C=CC=CC2=NC=C1~   12.015
29946 CC(C)CCC[CH](C)[CH]1CC[CH]2C3=CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C~    3.851
29947 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC[C]45O[CH]4C(=O)CC[C]5(C)[CH]3CC[C]12C~    4.836
29949 C[CH](CCC(O)=O)[CH]1CC[C]2(C)[CH]3CC[CH]4C(C)(C)[CH](O)CC[C]4(C)[CH]3C(=O)C[C]12C~   12.463
29950 C[CH](CCO)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3C[CH](OC(C)=O)[C]12C)OC(C)=O~    9.532
29951 CCCCCCCCCCCCCCCCCC[N+]1=C2C=CC=CC2=CC=C1~    8.742
29953 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CCC4=CC(CC[C]4(C)[CH]3CC[C]12C)=NO~    3.561
29954 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4CC(CC[C]4(C)[CH]3CC[C]12C)=NO~    3.561
29958 CCCCCCCCCC1=CC(=C(O)C(=C1)CN2CCCCC2)CN3CCCCC3~   11.721
29960 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3CC[C]12C~    2.775
29961 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CCC4=C[CH](O)CC[C]4(C)[CH]3CC[C]12C~    3.777
29962 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3C[CH]4O[C]45C[CH](O)CC[C]5(C)[CH]3CC[C]12C~    6.703
29963 CCCCCCCCCCCCCCCCCCN1CCC2=C(C1)C=CC=C2~    3.752
29965 C[CH]1CC[CH](NC1)[CH](C)[CH]2[CH](O)C[CH]3[CH]4CC[CH]5C[CH](O)CC[C]5(C)[CH]4CC[C]23C~    9.355
29966 CCCCCCCCCCCCCCCC1=CC(=C(N)C=C1)O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O~   16.625
29967 CCCCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC=C(OC)C=C1~    6.262
29968 CCCCCCCCCCCCCCCCCCNC(=S)NN=CC1=C(OC)C=CC=C1~    6.262
29969 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC=C(C=C1)C(C)C~    4.991
29972 CCCCCN(CCC)CCCCCCCCCN1CCCC2=C1C=CC(=C2)OC~    7.067
29973 CC[N+](CC)(CC)CCN1C(=O)CC[C]2(C)[CH]3CC[C]4(C)[CH](CC[C]4(C)O)[CH]3CC=C12~   21.848
29974 CCCCCCCCCCCCCCCCCC(=O)N(CCO)C(=O)C[N+]1=CC=CC=C1~   17.936
29980 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3C[CH](O)[C]4(O)C[CH](O)CC[C]4(C)[CH]3CC[C]12C~    6.668
29982 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](N)CC[C]4(C)[CH]3CC[C]12C~    3.344
29984 CNC(=O)CC[C]1(C)[CH](O)CC[CH]2[CH]3CC[CH]([CH](C)CCCC(C)C)[C]3(C)CC[CH]12~   10.161
29985 CCCCCCCCCCCCCCCCCC(=O)OC[CH](COCC=C)OCC=C~    5.167
29986 CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC~    6.542
29988 CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1~   11.580
29989 CCCCCCCCCCCCCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC~    9.095
29990 CO[CH]1C[CH]2CCN[CH](C[CH]3CC[N+]4(N)CC[CH]5C[CH](OC)[CH](C[CH]5[CH]4C3)OC)[CH]2C[CH]1OC~   26.113
29991 CCCC[CH](CC)CN(C[CH](CC)CCCC)C(=O)[CH](C)OC(=O)[CH](CC)CCCC~    6.457
29993 CC(C)(C)CC(C)(C)NC1=NC(=NC(=N1)NC(C)(C)CC(C)(C)C)NC(C)(C)CC(C)(C)C~    9.115
29994 CCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC~    1.352
30000 O=C1C2=C(C=CC=C2)C(=O)C3=C4NC5=CC=C6C(=O)C7=CC=CC=C7C(=O)C6=C5NC4=CC=C13~   21.489
30001 OC1=C(O)C2=C(C=C1)C(=O)C3=C(C=C(C=C3)C4=CC5=C(C=C4)C(=O)C6=CC=C(O)C(=C6C5=O)O)C2=O~   25.572
30002 O=C1C2=CC=CC=C2C(=O)C3=C(NC4=C5C(=O)C6=CC=CC=C6C(=O)C5=CC=C4)C=CC=C13~   18.437
30004 NC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(NC4=C5C(=O)C6=CC=CC=C6C(=O)C5=C(N)C=C4)C=C1~   25.340
30006 C1=CC2=C(C=C1)C(=CC=C3C4=C(C=CC=C4)C5=CC=CC=C35)C6=CC=CC=C26~    7.419
30007 O=C(NC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(NC(=O)C4=CC=CC=C4)C=C1)C5=CC=CC=C5~   18.587
30008 O=C(NC1=C2C(=O)C3=CC=CC(=C3C(=O)C2=CC=C1)NC(=O)C4=CC=CC=C4)C5=CC=CC=C5~   18.587
30009 OC(=O)C1=C(NC2=C3C(=O)C4=CC=CC(=C4C(=O)C3=CC=C2)NC5=C(C=CC=C5)C(O)=O)C=CC=C1~   25.311
30011 C1=CC=C(C=C1)C=C2C3=C(C=CC=C3)C(=C2C4=CC=CC=C4)C5=CC=CC=C5~    7.196
30012 N#CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4~   12.146
30013 O=C1NC(C(=O)N1C2C3=C(OC4=C2C=CC=C4)C=CC=C3)(C5=CC=CC=C5)C6=CC=CC=C6~   13.839
30016 OC(=O)C1=C(O)C=CC(=C1)N=NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N=NC4=CC(=C(O)C=C4)C(O)=O)S(O)(=O)=O)S(O)(=O)=O~   32.854
30019 OS(=O)(=O)C1=C(C=CC(=C1)N=NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)[N+]([O-])=O)S(O)(=O)=O)S(O)(=O)=O)C=CC4=C(C=C(C=C4)[N+]([O-])=O)S(O)(=O)=O~   38.240
30021 O=C(C1=CC=CC=C1)C(C2=CC=CC=C2)=C(C3=CC=CC=C3)C(=O)C4=CC=CC=C4~   12.061
30022 CC(=O)OC1=C2SC3=C(OC(C)=O)C4=CC=CC=C4C(=C3SC2=C(OC(C)=O)C5=C1C=CC=C5)OC(C)=O~   15.780
30023 O=C(C=C(NC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4~   13.103
30025 CC1=CC=C2N=C(SC2=C1S(O)(=O)=O)C3=CC=C(NN=NC4=CC=C(C=C4)C5=NC6=CC=C(C)C(=C6S5)S(O)(=O)=O)C=C3~   30.333
30027 C1=CC=C(C=C1)C2=CC=C(C=CC=CC3=CC=C(C=C3)C4=CC=CC=C4)C=C2~    6.036
30028 CC1=CC=C(NC2=C3C(=O)C4=CC=CC(=C4C(=O)C3=CC=C2)NC5=CC=C(C)C=C5)C=C1~   15.833
30030 CC1=C(C=C(NC2=C3C(=O)C4=CC=CC(=C4C(=O)C3=CC=C2)NC5=CC(=C(C)C=C5)S(O)(=O)=O)C=C1)S(O)(=O)=O~   28.493
30031 CC1=CC(=C(NC2=C3C(=O)C4=CC=CC=C4C(=O)C3=C(NC5=C(C=C(C)C=C5)S(O)(=O)=O)C=C2)C=C1)S(O)(=O)=O~   28.493
30032 COC1=CC(=CC=C1NC2=NC3=CC=CC=C3S2)C4=CC=C(NC5=NC6=CC=CC=C6S5)C(=C4)OC~   21.577
30033 O=S(=O)(C1=CC=C(NCSC2=NC3=CC=CC=C3S2)C=C1)C4=CC=C(NCSC5=NC6=CC=CC=C6S5)C=C4~   21.143
30035 O=C1C2=C(C=CC=C2)C(CC3=CC=CC=C3)(CC4=CC=CC=C4)C5=C1C=CC=C5~    8.045
30037 COC1=CC=C(C=C1)C2(C3=CC=C(OC)C=C3)C4=C(C=CC=C4)C(=O)C5=C2C=CC=C5~   10.747
30039 O=C(O[CH]([CH](OC(=O)C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4~    9.848
30040 CN(C)C1(C2C3=C(C=CC=C3)C4=CC=CC=C24)C5=C(C=CC=C5)C6=CC=CC=C16~    9.602
30041 OC1=C(CN(CC2=C3C=CC=CC3=CC=C2O)C4=CC=CC=C4)C5=CC=CC=C5C=C1~   16.240
30042 O=C(N[CH]([CH](N=CC1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4~   12.650
30043 NC1=C(C=CC2=CC=CC=C2)C=CC(=C1)S(=O)(=O)C3=CC(=C(C=CC4=CC=CC=C4)C=C3)N~   16.785
30044 COC1=CC=C(C=C1)C2(C3=CC=C(OC)C=C3)C4=C(CC5=C2C=CC=C5)C=CC=C4~    8.354
30045 C(OC1=CC=C(C=C1)C=CC2=CC=C(OCC3=CC=CC=C3)C=C2)C4=CC=CC=C4~    8.550
30046 CC1=CC2=C(C=C1C)[C](O)(C3=CC=CC=C3)C4=C(C=CC=C4)[C]2(O)C5=CC=CC=C5~   11.686
30047 CCC(=C(CC)C1=CC=C(OC(=O)C2=CC=CO2)C=C1)C3=CC=C(OC(=O)C4=CC=CO4)C=C3~    8.519
30048 CC(=O)O[CH]1O[CH](COC(=O)C2=CC=CC=C2)[CH](OC(=O)C3=CC=CC=C3)[CH]1OC(=O)C4=CC=CC=C4~   16.554
30049 O=C([CH](N[CH](CC1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4~   10.510
30050 CO[CH]1O[CH](COC(=O)C2=CC=C(C=C2)[N+]([O-])=O)[CH](O)[CH](OC(=O)C3=CC=CC=C3)[CH]1OC(=O)C4=CC=CC=C4~   21.879
30051 CCOC(=O)[CH]([CH]1C=CC2=C(C=CC=C2)N1C(=O)C3=CC=C(OC)C=C3)C(=O)C4=CC=CC=C4~   15.656
30052 CC(=O)OC1=CC=C2C=CC=CC2=C1CN(CC3=C4C=CC=CC4=CC=C3OC(C)=O)C(C)=O~   15.314
30054 COC1=CC(=CC(=C1OC)OC)[CH]2[CH]3[CH](COC3=O)[CH](OC(=O)C4=CC=NC=C4)C5=C2C=C6OCOC6=C5~   19.193
30055 CC1=CC=C(NC(=NC2=CC=C(C)C=C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C=C1~    9.137
30058 O=C(CCCCC(=O)NN=CC1=C2C=CC=CC2=CC=C1)NN=CC3=C4C=CC=CC4=CC=C3~   14.553
30061 O=S(=O)(NC1=CC(=CC=C1)C2=NCCN2)C3=C4C=CC=C(C4=CC=C3)S(=O)(=O)NC5=CC(=CC=C5)C6=NCCN6~   22.288
30063 O=S(=O)(NC1=CC(=CC=C1)C2=NCCN2)C3=CC4=CC=CC(=C4C=C3)S(=O)(=O)NC5=CC(=CC=C5)C6=NCCN6~   22.288
30064 CC1=C(N)C(=C(N)C(=C1)S(O)(=O)=O)N=NC2=CC=C(C=C2C)C3=CC=C(N=NC4=CC(=C(O)C=C4)C(O)=O)C(=C3)C~   27.196
30065 NC1=CC=C(C=C1)C(=NNC(=N)C(=N)NN=C(C2=CC=CC=C2)C3=CC=C(N)C=C3)C4=CC=CC=C4~   22.452
30066 O=C(CNNC(=O)C1=CC=NC=C1)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(NC(=O)CNNC(=O)C4=CC=NC=C4)C=C3~   37.570
30070 CO[CH]1O[CH]2CO[CH](O[CH]2[CH](OC(=O)C3=CC=CC=C3)[CH]1OC(=O)C4=CC=CC=C4)C5=CC=CC=C5~   17.148
30071 CO[CH]1O[CH](COC(=O)C2=CC=CC=C2)[CH](O)[CH](OC(=O)C3=CC=CC=C3)[CH]1OC(=O)C4=CC=CC=C4~   19.476
30072 O[CH]([CH](N[CH](CC1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4~   13.342
30073 COC1=CC(=CC=C1)C2=CC(=CC(=N2)C3=CC=CC(=C3)OC)C4=CC(=C(OC)C(=C4)OC)OC~   14.636
30075 COC(=O)[CH](CCC(NC(=O)C1=CC=CC=C1)=CNC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3~   19.793
30076 CCN(CC)C1=CC2=[N+](C3=CC=CC=C3)C4=CC(=CC=C4N=C2C=C1)N=NC5=CC=C(O)C=C5~   24.095
30077 CC(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)C3=NCCN3)C(=O)NC4=CC(=CC=C4)C5=NCCN5~   28.578
30078 CN1C2=C(C=CC=C2)C(=C1C3=CC=CC=C3)C=CC4=[N+](C)C5=CC=CC=C5C4(C)C~   15.924
30079 C(N(CC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4~   10.848
30080 OC1=C(CN(CC2=C3C=CC=CC3=CC=C2O)C4CCCCC4)C5=CC=CC=C5C=C1~   16.351
30084 COC(=O)[CH](CC1=CC=CC=C1)NC(=O)[CH](CSCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3~   15.366
30085 CCC(CC=C)(C(=O)NC1=CC=C2N=C(C)C=C(N)C2=C1)C(=O)NC3=CC4=C(C=C3)N=C(C)C=C4N~   26.204
30088 COC1=CC=C(C=C1OC)C2=COC3=C4C=CC(C)(C)OC4=C(CC=C(C)C)C(=C3C2=O)OC~   12.130
30089 CCOC1=CC=C(C=C1)N(C)C2=CC=C(C=C2)C=CC3=[N+](C)C4=C(C=CC=C4)C3(C)C~   15.857
30090 CCC(=O)OC1=C2C(=O)C3=C(O)[C]4(OC(=O)CC)[CH]([CH](O)[CH]3[C](C)(O)C2=CC=C1)[CH](N(C)C)C(=C(C(N)=O)C4=O)O~   29.526
30091 CC(C)(C)C1=C2CN(COC2=CC3=C1OCN(CC4=CC=CC=C4)C3)CC5=CC=CC=C5~   11.380
30092 CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(C=C3O2)=[N+](CC)CC)C4=C(C=CC=C4)C(O)=O~   19.928
30093 CCCC(CC)(C(=O)NC1=CC=C2N=C(C)C=C(N)C2=C1)C(=O)NC3=CC4=C(C=C3)N=C(C)C=C4N~   26.076
30094 C[CH]1OCO[CH](COS(=O)(=O)C2=CC=C(C)C=C2)[CH](OS(=O)(=O)C3=CC=C(C)C=C3)[CH]1OS(=O)(=O)C4=CC=C(C)C=C4~   18.914
30095 COC1=CC=C(C[CH](C2=CC=CC=C2)C3=CC=C(OCCN4CCCCC4)C=C3)C=C1~    9.914
30096 COC1=CC=C(C=C1OC)[CH](CN(C)C(C)C)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3~   12.426
30097 CCN(CC)CCOC(=O)C(OCCOC1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3~   12.200
30098 COC1=CC(=CC=C1)[CH]2C[CH](C[CH](N2)C3=CC=CC(=C3)OC)C4=CC(=C(OC)C(=C4)OC)OC~   14.184
30099 C1CCN(CC1)CC2=C(OC(=C2CN3CCCCC3)C4=CC=CC=C4)C5=CC=CC=C5~   10.996
30100 CCN(CC)CCCN(C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=C(OC)C=C3~   13.124
30101 CCN(CC)C1=C2C=CC=NC2=C(CCC3=C4N=CC=CC4=C(C=C3)N(CC)CC)C=C1~   14.088
30102 COC1=CC=C(C=C1O)[CH]2CC(=O)C3=C(O2)C=C(O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O[CH]5O[CH](C)[CH](O)[CH](O)[CH]5O)C=C3O~   32.350
30105 C[CH]([CH]1CC[CH]2[C]1(C)CC=C3[C]4(C)CC[CH](C[C]45C=C[C]23[CH]6[CH]5C(=O)OC6=O)OC(C)=O)C(O)=O~   11.788
30106 CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)[C]2(O)CC[CH]3[CH]4CCC5=CC(=O)C=C[C]5(C)[CH]4[CH](O)C[C]23C~   13.830
30107 CCOC(=O)C(CCC(C(=O)OCC)(C(=O)OCC)C1=CC=CC=C1)(C(=O)OCC)C2=CC=CC=C2~   12.951
30108 CCN(CC)CCOC1=CC=C(C=C1)[C](O)(CC2=CC=C(C)C=C2)C3=CC=C(C)C=C3~   12.804
30110 CC(C)(C)C1=CC=C(O)C(=C1)CN(CC2=C(O)C=CC3=CC=CC=C23)C4CCCCC4~   14.928
30111 C[CH]1CN(CCCCOC(=O)NC2=C3C=CC=CC3=CC=C2)CCN1CCC4=CC=CC=C4~   15.991
30113 C(CCCCC[N+]1=C2C=CC=CC2=CC=C1)CCCC[N+]3=CC=CC4=C3C=CC=C4~   13.426
30117 CN(C)CCCNC1=NC(=C2N=C(C3=CC=CC=C3)C(=NC2=N1)C4=CC=CC=C4)NCCCN(C)C~   20.714
30118 C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2OC(=O)CCC5=CC=CC=C5~    7.609
30119 CCC(=C(CC)C1=CC=C(OC(=O)C(C)(C)C)C=C1)C2=CC=C(OC(=O)C(C)(C)C)C=C2~    6.373
30120 CC(=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3[CH](C[C]12C)OS(=O)(=O)C5=CC=C(C)C=C5~   12.106
30121 CC(=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3C[CH](OS(=O)(=O)C5=CC=C(C)C=C5)[C]12C~   12.106
30122 CC(=O)OC[CH]1O[CH](OC[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)C#N)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O~   25.116
30123 CCCCCN(CCCCC)C[CH](O)C1=C2C=C(OC)C=CC2=NC(=C1)C3=CC=CC=C3~   15.096
30125 CCN(CC)CCCOC1=C2C(=O)C3=CC=CC(=C3C(=O)C2=CC=C1)OCCCN(CC)CC~   16.578
30126 CCCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(OCCCCC)C=C3~   13.315
30127 CC1=[N+](C)C2=CC=CC=C2C(=C1)NCCCCCCNC3=C4C=CC=CC4=[N+](C)C(=C3)C~   20.053
30128 O=C(NC1=CC=CC=C1)O[CH](CN2CCCCC2)[CH](CN3CCCCC3)OC(=O)NC4=CC=CC=C4~   17.202
30129 CCOC1=C(C=CC=C1)C=NNC(=O)CCCCCCCCC(=O)NN=CC2=C(OCC)C=CC=C2~   14.249
30132 CC(=O)OC[CH]1O[CH](OC[CH]2O[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O~   27.842
30134 CC(=O)OC[CH]1O[CH](O[C]2(COC(C)=O)O[CH](COC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O~   27.842
30136 CC(=O)OC[CH]1O[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1O[CH]2O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O~   27.842
30137 CC(C)(CC(O)=O)CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[CH]3[CH](O)C[C]12C~   16.170
30138 CC(C)(C)C1=CC=C(OCCOC(=O)C[CH](C(=O)OCCOC2=CC=C(C=C2)C(C)(C)C)S(O)(=O)=O)C=C1~   16.682
30139 CCCCN(CCCC)CCCCC[CH](O)C1=C2C=CC=CC2=C3C=CC=CC3=C1~   10.635
30140 CN(C=C1C[C]2(C)[CH](CC[CH]3[CH]2CC[C]4(C)[CH]3CC[C]4(C)O)CC1=O)C5=CC=CC=C5~   10.893
30142 CN(C)C(=O)C(CC[N+]1(C)CCCC12CCCCC2)(C3=CC=CC=C3)C4=CC=CC=C4~   20.504
30143 CCCCCCN(CCCCCC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1~   12.308
30144 CN(CC(=O)CCCCCCCCC(=O)CN(C)CC1=CC=CC=C1)CC2=CC=CC=C2~   12.810
30145 CCN(CC)CC1=CC(=CC(=C1O)CC=C)C2=CC(=C(O)C(=C2)CN(CC)CC)CC=C~   17.058
30146 CC(C)(C)C1=CC(C=C(C1=O)C(C)(C)C)=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C~    6.654
30149 CC(C)(C)C1=CC=C(O)C(=C1)CN(CC2=C(O)C=CC(=C2)C(C)(C)C)C3CCCCC3~   13.506
30150 CCCCCCCCC=CCCCCCCCC(=O)OCCN1C(=O)C2=C(C=CC=C2)C1=O~    8.236
30151 CN1CCC[CH](C1)C(=O)OCC(=O)[C]2(O)CC[CH]3[CH]4CCC5=CC(=O)CC[C]5(C)[CH]4[CH](O)C[C]23C~   14.496
30152 CC(C)C(C)C=CC(C)C1CCC2=C3C=CC45CC4CCC5(C)C3CCC12C~   -0.299
30153 CCN(CC)CC1=CC(=CC=C1O)C(CC)=C(CC)C2=CC=C(O)C(=C2)CN(CC)CC~   17.268
30154 CC[N+](C)(CC)CCOC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(OCC[N+](C)(CC)CC)C=C1~   27.108
30155 C[N+]1(CCC(CCC2CC[N+](C)(CC2)CC3=CC=C(C=C3)[N+]([O-])=O)CC1)CC4=CC=C(C=C4)[N+]([O-])=O~   24.623
30156 CC(C)OCCCNCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NC(=O)CNCCCOC(C)C)C=C2~   22.857
30157 CC(C)[CH](C)C=C[CH](C)[CH]1CC[CH]2C3=CC=C4CC(=O)CC[C]4(C)[CH]3CC[C]12C~    2.764
30160 CCCCCCCCCCCCCCCCOC(=O)CC1=C2C=CC=CC2=CC=C1~    4.014
30161 CCCCCCCCCCCCCCCCCC(=O)OC1=CC2=C(C=CC=C2)C=C1~    3.230
30163 COC(=O)C=C1CC[CH]2[CH]3C[CH](C)[C]4(O)CC5(CC[C]4(C)[CH]3C(=O)C[C]12C)OCC(C)(C)CO5~   13.979
30164 CC(=O)O[CH]1C[CH]2C(C)(C)[CH](CC[C]2(C)[CH]3[CH](C[C]4(C)C(=O)CC[C]4(C)[CH]13)OC(C)=O)OC(C)=O~   11.260
30165 CCCCCCN(CCCCCC)C[CH](O)C1=C2C=CC=CC2=C3CCCCC3=C1~    9.648
30166 CC(C)CCCN(CCCC(C)C)C[CH](O)C1=C2C=CC=CC2=C3CCCCC3=C1~    9.648
30167 C[CH]1CCCCN1C=C(C)[CH]2CC[CH]3[CH]4CCC5=CC(=O)CC[C]5(C)[CH]4CC[C]23C~    6.550
30168 C(COCCOCCOCCOC1=CC=CC=C1)NCCOCCOCCOCCOC2=CC=CC=C2~   20.112
30169 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=C2C=CC=CC2=CC=C1~    6.291
30171 CC[CH]([CH](CC)C1=CC=C(O)C(=C1)CN(CC)CC)C2=CC=C(O)C(=C2)CN(CC)CC~   16.701
30172 CCCCN(CCCC)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N(CCCC)CCCC~    8.724
30173 CCN(CC)CC1=CC(=CC=C1O)[C](O)(CC)[C](O)(CC)C2=CC=C(O)C(=C2)CN(CC)CC~   22.573
30174 CC(C)NCCCNCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NC(=O)CNCCCNC(C)C)C=C2~   26.286
30175 CC(C)[CH](C)C=C[CH](C)[CH]1CC[CH]2[C]1(C)CC[CH]3[C]4(C)CC[CH](O)C[C]45OO[C]23C=C5~    5.788
30176 CCSC(=O)CC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(C)=O~    5.405
30177 CC(=O)O[CH]1CC[C]2(C)[CH](CC[CH]3[CH]4CC[CH](OC(=O)C5CCCCC5)[C]4(C)CC[CH]23)C1~    5.328
30178 CCSC(=O)CC[CH](C)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3C[CH](OC=O)[C]12C)OC=O~    7.772
30179 CCCCCCCN(CCCCCCC)CCC[CH](O)C1=C2C=CC=CC2=CC=C1~    9.132
30180 CCCCCCCCCC[CH](C[N+](C)(C)CC1=CC=CC=C1)[CH](O)C2=CC=CC=C2~   17.726
30181 CC(C)(C)CC(C)(C)CC1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1~   16.695
30182 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)SC#N~    2.565
30185 CCCCCCCCCCCCCCCCCC1=CCCN1C(=S)NC2=CC=CC=C2~    4.130
30186 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC[CH]4CC5=C(C[C]4(C)[CH]3CC[C]12C)SC(=N)N5~    6.186
30187 CC[N+](CC)(CCOCCOCC[N+](CC)(CC)CC1=CC=C(C=C1)[N+]([O-])=O)CC2=CC=C(C=C2)[N+]([O-])=O~   28.021
30188 CCSC(=O)CC[CH](C)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(C)=O~    5.420
30189 CCCCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCCCC~    4.435
30190 CCCCC[CH](CCC)COC(=O)C1=C(C=CC=C1)C(=O)OC[CH](CCC)CCCCC~    4.435
30191 CC(C)CC[CH](COC(=O)C1=C(C=CC=C1)C(=O)OC[CH](CCC(C)C)C(C)C)C(C)C~    4.435
30192 CCCCCCCCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCCCCCCCC~    4.435
30194 CCCCCCCCCCCCCCCCCC1=NC(C)(C)CN1C2=CC=CC=C2~    3.266
30196 CCCCCCCCCCCCCCCCN1C=C([CH](O)CN(C)C)C2=C1C=CC=C2~   10.453
30197 CCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)C2=CC=CC=C2~   19.160
30198 CCN(CC)CCOC(=O)[C](C=CC)(C=CC)[C](C=CC)(C=CC)C(=O)OCCN(CC)CC~   10.873
30199 CS[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](CC[CH]4[CH]3CC=C2C1)[CH](C)CCCC(C)C~    1.312
30201 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)NC=O~    5.697
30202 CCCCCCCCCCCCCCCCCCNC(=S)NN=CC1=C(OCC)C=CC=C1~    6.139
30203 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC(=C(OCC)C=C1)OCC~    7.489
30204 CCCCCCCCCCCCCCCCCCNC(=S)NN=CC1=C(OC)C(=CC=C1)OC~    7.489
30205 CCCCN(CCCC)CCCCCCCCCCN1CCCC2=C1C=CC(=C2)OC~    6.943
30210 S=C(NCN(C1CCCCC1)C2CCCCC2)C(=S)NCN(C3CCCCC3)C4CCCCC4~    9.260
30212 CCCCOCCOCCOC(=O)[CH](C)OC(=O)CCCCC(=O)O[CH](C)C(=O)OCCOCCOCCCC~   15.807
30213 CC[CH](C)OCCOCCOC(=O)[CH](C)OC(=O)OCCOCCOC(=O)O[CH](C)C(=O)OCCOCCO[CH](C)CC~   16.764
30215 CCCCCCC(=O)OCCN(CCOC(=O)CCCCCC)C(=O)[CH](C)OC(=O)CCCCCC~   12.073
30216 CC(C)(C)CC(C)(C)NCC1=CC(=CC(=C1O)CNC(C)(C)CC(C)(C)C)C(C)(C)C~   11.323
30217 CCCCN(CCCC)CCC1=C(O)C(=C(C)C=C1C)CCN(CCCC)CCCC~   10.967
30218 CCCCN(CCCC)C(=O)[CH](C)OC(=O)CCCCC(=O)O[CH](C)C(=O)N(CCCC)CCCC~   11.658
30219 CCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCC~    4.151
30220 CCCCCCCCCCCCCCCCCC[N+]1=CC=C(CCCCC)C=C1~    7.196
30222 CCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCC~    5.604
30223 CCCCCCCCCCCCCCCCCCCCCCCCCCCC~   -0.940
30224 CCCCCCCCCCCCN1CCN(CCCCCCCCCCCC)CC1~    5.268
30225 CCCCCCCCCCCCCCOCCCCCCCCCCCCCC~   -0.134
30226 CCCCCCCCCCCCCCCCCCCCCCCCCCCCO~    2.047
30227 CCCCCCCCCCCCCCSCCCCCCCCCCCCCC~   -0.093
30228 CCCCCCCCCCCCCCSSCCCCCCCCCCCCCC~   -0.283
30229 C[N+]1(C)CCC[CH](C1)OCCCCCCCCCCCCCCO[CH]2CCC[N+](C)(C)C2~   20.263
30230 NC1=C(C=CC2=C1C(=O)C3=CC=CC=C3C2=O)C4=NC5=CC=C6C(=O)C7=C(C=CC=C7)C(=O)C6=C5S4~   23.452
30231 NC1=C2C(=O)C3=CC=CC(=C3C(=O)C2=CC=C1)NC(=O)C4=C5SN=C6C7=C(C=CC=C7)C(=O)C(=C56)C=C4~   23.524
30232 NC1=C(C=CC2=C1C(=O)C3=CC=CC=C3C2=O)C(=O)NC4=C5C(=O)C6=CC=CC=C6C(=O)C5=CC=C4~   24.824
30234 OC1=C(C(=O)C2=C(C3C4=C(C=CC=C4)C2C5=C3C=CC=C5)C1=O)[N+]6=C7C=CC=CC7=CC=C6~   21.340
30235 OC(=O)C1=C(O)C=CC(=C1)N=NC2=CC(=C(C=C2)C3=CC=C(C=C3)N=NC4=CC(=C5C=CC=CC5=C4O)S(O)(=O)=O)[N+]([O-])=O~   27.818
30237 N=C(NC1=C2C=CC=CC2=C3C=CC=CC3=C1)NC4=C5C=CC=CC5=C6C=CC=CC6=C4~   15.190
30238 NC1=C2C=CC=CC2=C(C=C1N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=CC(=C(O)C=C5)C(O)=O)S(O)(=O)=O~   24.883
30239 OC(=O)C1=C(O)C=CC(=C1)N=NC2=CC=C(C=C2)N=NC3=C(NC4=CC=CC=C4)C=CC5=CC(=CC(=C35)O)S(O)(=O)=O~   28.009
30240 OC1=C(C=CC2=C(C=CC=C12)S(O)(=O)=O)N=NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)S(O)(=O)=O~   31.695
30241 CC(=O)NC1=CC=C2C=CC=CC2=C1S[CH]3CC(=O)N(C3=O)C4=CC5=C(C=C4)C6=CC=CC=C6C5~   18.015
30244 CN(C1=CC=C(C=C1)C2=CC=CC=C2)C(=CC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4~   11.790
30245 CN(C)C1=CC=C(C=C1)C=C2C3=CC=CC=C3C4=C2C=C(C=C4)N=CC5=CC=C(C=C5)[N+]([O-])=O~   11.656
30246 CN(C)C1=CC=C(C=C1)C=C2C3=CC=CC=C3C4=C2C=C(C=C4)N=CC5=CC=CC=C5~    9.251
30247 CC1(C)NC2=CC=CC3=C(C=CC(=C23)N1)N=NC4=C5C=CC=CC5=C(C=C4)N=NC6=CC=CC=C6~   13.371
30250 OC1=C(CN(CC2=CC=CC=C2)CC3=C4C=CC=CC4=CC=C3O)C5=CC=CC=C5C=C1~   17.703
30251 CC1=CC=C(C=C1)N(CC2=C(O)C=CC3=CC=CC=C23)CC4=C5C=CC=CC5=CC=C4O~   16.197
30252 O=C1N=C(NC1(C2=CC=CC=C2)C3=CC=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5~   15.646
30253 OC(=O)C(=C)CC(=O)NC1=C(CC(C2=CNC3=C2C=CC=C3)C4=CNC5=C4C=CC=C5)C=CC=C1~   23.009
30254 CC(=C(CNC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(N)C=C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4~   18.277
30255 O[CH]1[CH](O)[CH](O[CH]1COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N5C=NC6=C(S)N=CN=C56~   21.699
30256 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NC(=S)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(NC(C)=O)C=C4)C=C2~   24.670
30257 O=C(CC(C1=CC=CC=C1)C2=CC=CC=C2)CC(C3=CC=CC=C3)C4=CC=CC=C4~    8.431
30258 COC1=CC=C(C=C1)C2(C3=CC=C(OC)C=C3)C4=C(CC5=C2C=C(OC)C=C5)C=CC=C4~    9.582
30259 COC1=CC=C(C=C1)C2(C3=CC=C(OC)C=C3)C4=CC=CC=C4CC5=C(OC)C=CC=C25~    9.582
30261 COC1=CC(=CC(=C1OC)OC)[CH]2[CH]3[CH](COC3=O)[CH](OC(=O)C4=CC=CC=C4)C5=C2C=C6OCOC6=C5~   16.310
30262 O[C]1(O[CH](CN(CC2=CC=CC=C2)[CH]1C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5~   15.410
30264 CN(C)C1=CC=C(C=C1)C(CC2=NC3=C(C=CC=C3)C=C2)CC4=NC5=C(C=CC=C5)C=C4~   13.752
30266 C1CCC2=C3C=CC=CC3=C(CC4=C5C=CC=CC5=C6CCCCC6=C4)C=C2C1~    5.387
30267 CN(CC1=CC=CC=C1)[CH]([CH](NC2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4~   13.321
30268 CO[CH]1O[CH]([CH](COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)[CH](OC(=O)C4=CC=CC=C4)[CH]1OS(C)(=O)=O~   19.301
30269 O=S(=O)(OCC(COS(=O)(=O)C1=CC=CC=C1)(COS(=O)(=O)C2=CC=CC=C2)COS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4~   20.484
30270 COC1=CC=C(CC2=C(C=CC=C2)C(O)(C3=C(OC)C=CC=C3)C4=C(OC)C=CC=C4)C=C1~   13.583
30271 COC1=CC(=CC(=C1OC)OC)[CH]2[CH]([CH](CO)[CH](O)C3=C2C=C4OCOC4=C3)C(=O)NN=CC5=C(O)C=CC=C5~   27.222
30273 O=C([CH]([CH]([CH]1CNC2=C(C1)C=CC=C2)C3=CC=CC=C3)N4CCCCC4)C5=CC=CC=C5~   12.282
30274 O=C([CH]([CH](N1CCOCC1)C2=CC=CC=C2)N3CCOCC3)C4=CC=C(OC5=CC=CC=C5)C=C4~   17.276
30275 CC1=C2C=C(CC3=CC4=C(C=C3)N=C(C=C4C)N5CCOCC5)C=CC2=NC(=C1)N6CCOCC6~   18.947
30276 CCCC(CC=C)(C(=O)NC1=CC=C2N=C(C)C=C(N)C2=C1)C(=O)NC3=CC4=C(C=C3)N=C(C)C=C4N~   26.081
30279 CC(C)C1=CC(=C(N=CC2=CC=CC=C2)C(=C1N=CC3=CC=CC=C3)C(C)C)C(C)C~    4.879
30280 CC[CH]1C[N+]2=C(C3=C(CC2)C=C(OC)C(=C3)OC)C4=C1C=C5N4CCC6=C5C=C(OC)C(=C6)OC~   20.807
30282 CCN(CC)CC[CH](CNC1=C2C=C(OC)C(=CC2=NC3=CC(=CC=C13)[N+]([O-])=O)OC)C4=CC=CC=C4~   18.924
30283 CC1=NC2=C(C=C(NC(=O)CCCCCCCC(=O)NC3=CC4=C(N)C=C(C)N=C4C=C3)C=C2)C(=C1)N~   25.955
30284 CCCC(CCC)(C(=O)NC1=CC=C2N=C(C)C=C(N)C2=C1)C(=O)NC3=CC4=C(C=C3)N=C(C)C=C4N~   25.955
30287 CCN(CC)CCOC(=O)C(OCCCC1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3~   10.807
30288 CCCCN(CCCC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(NS(=O)(=O)C4=CC=CC=C4)C=C1~   17.207
30289 CCCCN(CCCC)CC1=CC=C(N[CH](C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C=C1~   11.570
30290 CO[CH]1C[CH]2CN(CCC3=CNC4=C3C=CC=C4)C[CH]2C[CH]1OC(=O)C5=CC(=C(OC)C(=C5)OC)OC~   18.107
30291 CCC(C)(C)C1=CC=C(C=C1)N(CCCC2=CC=CC=C2)CCCC3=CC=CC=C3~    5.226
30294 CC(C)C1=CC(=C(C=C1)C(=O)[CH]([CH](N2CCOCC2)C3=CC=CC=C3)N4CCOCC4)C(C)C~   15.038
30296 CC[CH]1CN2CCC3=C(C=C(OC)C(=C3)OC)[CH]2C[CH]1C[CH]4NCCC5=C4C=C(OC)C(=C5)OC~   15.302
30298 CCCCN(CCCC)[CH](C)[CH](O)C1=CC(=C2C=CC3=C(C=CC(=C3)C(C)C)C2=C1)C~   10.672
30301 C[CH]1O[CH](CC[CH]1O[CH]2O[CH](C)[CH]([CH](O)[CH]2O)N(C)C)N3C=CC(=NC3=O)NC(=O)C4=CC=C(NC(=O)[C](C)(N)CO)C=C4~   36.588
30302 C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)COC(=O)CCC5CCCC5)[C]4(C)C[CH](O)[CH]23~   10.821
30303 C[CH](CCC(O)=O)[CH]1CC[C]2(C)C3=C(C(=O)C[C]12C)[C]4(C)CC[CH](OC(C)=O)C(C)(C)[CH]4CC3=O~   14.526
30305 C[CH]1O[CH](O[CH]2C[CH](O)[C]3(CO)[CH]4[CH](O)C[C]5(C)[CH](CC[C]5(O)[CH]4CC[C]3(O)C2)C6=CC(=O)OC6)[CH](O)[CH](O)[CH]1O~   21.752
30306 CC(C)(C)C1=C(O)C(=CC(=C1)CC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)C(C)(C)C~    9.636
30307 CCCCCC(O)(CCCCC)CCCCCCCCC1=C(O)C(=O)C2=C(C=CC=C2)C1=O~    7.640
30309 C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC[CH]6C[CH](CC[C]6(C)[CH]5CC(=O)[C]4(C)[CH]3[CH]2C)OC(C)=O~   10.418
30310 CCCCCCCCC1=CC=C(C=C1)[CH](O)[CH](C)C[N+](C)(C)CC=CC2=CC=CC=C2~   18.067
30312 CCCCN(CCCC)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(CCCC)CCCC~    6.963
30314 CCN(CC)CCC[CH](C)NC[CH]1[CH](O)CC[CH]2CN3CCC4=C(NC5=CC=CC=C45)[CH]3C[CH]12~   20.003
30315 CCCCCCCCCC(=O)O[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C~    5.654
30317 C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC[CH]6C[CH](CC[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C)OC(C)=O~    7.000
30318 CCSC(=O)C[CH](C)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3C[CH](OC(C)=O)[C]12C)OC(C)=O~    8.167
30319 C[CH]1C[CH]2[CH]3CCC(=CCOC(C)=O)[C]3(C)C[CH](O)[CH]2[C]4(C)CCC5(C[C]14O)OCC(C)(C)CO5~   11.602
30320 C[CH]1C[CH]2[CH]3CC[C](O)(C(=O)COC(C)=O)[C]3(C)C[CH](O)[CH]2[C]4(C)CCC5(C[C]14O)OCC(C)(C)CO5~   11.991
30321 CCCCCCCCCCCCCCCCCCNC1=CC(=NC2=CC=C(C)C=C12)C~    7.095
30323 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)NC(N)=O~    7.625
30324 CC[CH](C=C[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C)C(C)C~    3.587
30326 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(C)=O~    1.963
30328 CCO[CH]1CC[C]2(C)[CH](CC[CH]3[CH]2CC[C]4(C)[CH]3C[CH]5O[C]6(CC[CH](C)CO6)[CH](C)[CH]45)C1~    6.185
30329 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CN~    4.652
30332 CC[CH](CC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C)C(C)C~    3.530
30334 CC(C)CCC[CH](C)CCC[CH](C)CCC[C](C)(O)CCC1=C(C)C(=O)C(=C(C)C1=O)C~   10.232
30335 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)N(C)C~    2.644
30336 CCCCCCCCCCCCCCCCCCNC(=O)OC1=C(C=CC(=C1)C)C(C)C~    5.070
30337 CCCCCN(CCCCC)CCCCCCCCCCN1CCCC2=C1C=CC=C2~    5.470
30338 CCCCCN(CCCCC)CCCCCCCCCN1CCCC2=C1C=CC(=C2)OC~    6.821
30339 CCCCCCCCCCCCCCCCCCNC(=O)NC1=CC(=C(O)C=C1C)C(C)C~   10.914
30340 CC[CH](CC[CH](C)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C)C(C)C~    3.547
30342 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)N(C)C~    2.662
30344 CCCCN(CCCC)C[CH](CN(CC)CC)N(CC(C)C)CC(=O)NC1=C(C)C=CC=C1C~   15.138
30346 C[CH](CCN1CCN(CC[CH](C)CC(C)(C)C)[CH]1C[CH](C)CC(C)(C)C)CC(C)(C)C~    2.644
30348 O=C1C2=C(C=CC=C2)C(=O)C3=C4C(=O)C5=CC=CC=C5C(=O)C4=C6C(=O)C7=CC=CC=C7C(=O)C6=C13~   20.955
30349 O=C1C2=CC=CC=C2C3=CC4=CC=C5C(=O)C6=C(C=CC=C6)C7=C5C4=C8C(=C7)C=CC1=C38~   12.883
30352 OC(=O)C1=C(C=C2C=CC=CC2=C1C3=CC=CC=C3)C4=C5C=CC(=O)C=C5OC6=C4C=CC(=C6)O~   19.370
30353 OC1=C(N=NC2=C3C(=C(N=NC4=C5C=CC=CC5=C(C=C4)S(O)(=O)=O)C(=CC3=CC(=C2)S(O)(=O)=O)S(O)(=O)=O)O)C6=C(C=CC=C6)C=C1~   37.385
30354 O=C1C[CH](SC2C3=C(C=CC=C3)C4=CC=CC=C24)C(=O)N1C5=CC6=C(C=C5)C7=CC=CC=C7C6~   13.008
30355 O[C]1([CH]([CH]2C(=O)C3=CC=CC=C3[C]2(O)C4=CC=CC=C4)C(=O)C5=C1C=CC=C5)C6=CC=CC=C6~   17.446
30356 CCOC(=O)CN1C(=O)[CH]2[CH]([CH]3C4=C([CH]2C5=C3C6=C(C=CC=C6)C=C5)C7=C(C=CC=C7)C=C4)C1=O~   13.287
30357 N=C(NC(=N)NC1=C2C=CC=CC2=C3C=CC=CC3=C1)NC4=C5C=CC=CC5=C6C=CC=CC6=C4~   20.359
30359 O=C(CCC(=O)N=C(C1=CC=CC=C1)C2=CC=CC=C2)N=C(C3=CC=CC=C3)C4=CC=CC=C4~   10.206
30360 CCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=C5C(=CC=C4O)C=C(C=C5S(O)(=O)=O)S(O)(=O)=O~   27.271
30361 C1CN(CCN1C2C3=CC=CC=C3C4=C2C=CC=C4)C5C6=C(C=CC=C6)C7=CC=CC=C57~   13.262
30362 COC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C=CC3=C(C=C(NC(=O)C4=CC=C(OC)C=C4)C=C3)S(O)(=O)=O)S(O)(=O)=O~   29.114
30363 CC1=CC=C(C=C1)C(=O)C2=CC=C(CCC3=CC=C(C=C3)C(=O)C4=CC=C(C)C=C4)C=C2~    9.996
30364 COC1=C(OCC2=CC=CC=C2)C=CC(=C1)C(=O)OC(=O)C3=CC=C(OCC4=CC=CC=C4)C(=C3)OC~   12.951
30365 C[N+](C)(C)C1=CC=C(C=C1)C=C2C3=CC=CC=C3C4=C2C=C(C=C4)N=CC5=CC=C(C=C5)[N+]([O-])=O~   20.767
30366 C[N+](C)(C)C1=CC=C(C=C1)C=C2C3=CC=CC=C3C4=C2C=C(C=C4)N=CC5=CC=CC=C5~   18.364
30367 C1CN(CC2=CC=CC=C2)C(=C(N1CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5~   12.418
30368 O=S(=O)(C1=CC=C(C=C1)N=CCCC2=CC=CC=C2)C3=CC=C(C=C3)N=CCCC4=CC=CC=C4~    9.588
30369 O=C(NC1=CC(=CC=C1)C2=CC=CC=C2)N3CCN(CC3)C(=O)NC4=CC(=CC=C4)C5=CC=CC=C5~   22.554
30371 CCOC1=CC=C(C=C1)N=NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N=NC4=CC=C(OCC)C=C4)S(O)(=O)=O)S(O)(=O)=O~   23.907
30372 O=S(=O)(NC1=CC(=CC=C1)C2=NCCN2)C3=CC=C(OC4=CC=C(C=C4)S(=O)(=O)NC5=CC(=CC=C5)C6=NCCN6)C=C3~   22.939
30374 CCOC1=CC=C(C=C1)[C]2(O)C3=C(C=CC=C3)C4=CC=CC=C4[C]2(O)C5=CC=C(OCC)C=C5~   13.924
30375 CC1(C)O[CH]2O[CH](COC(=O)C3=CC=CC=C3)[CH](OC(=O)C4=CC=CC=C4)[CH](OC(=O)C5=CC=CC=C5)[CH]2O1~   17.203
30377 C1CCC2=C3C=CC=CC3=C(CCC4=C5C=CC=CC5=C6CCCCC6=C4)C=C2C1~    5.264
30378 CC1=CC=C(CC2=CC=C(CCC3=CC=C(CC4=CC=C(C)C=C4)C=C3)C=C2)C=C1~    5.210
30379 CC1=CC2=CC3=NC(=CC4=C(C)C(=C(N4)C=C5N=C(C=C1N2)C(=C5CCC(O)=O)C)CCC(O)=O)C=C3C~   20.301
30380 O=C(CNCC1=CC=CC=C1)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(NC(=O)CNCC4=CC=CC=C4)C=C3~   22.164
30381 CN(C1=CC=C(C=C1)C2=NCCN2)S(=O)(=O)C3=C4C=CC=C(C4=CC=C3)S(=O)(=O)N(C)C5=CC=C(C=C5)C6=NCCN6~   19.666
30382 CC1=CC=C(C=C1)C(O)(C2=CC=C(C)C=C2)C(O)(C3=CC=C(C)C=C3)C4=CC=C(C)C=C4~   11.084
30383 C(CC1=CC=CC=C1)N(CCC2=CC=CC=C2)[CH](CC3=CC=CC=C3)C4=CC=CC=C4~    8.440
30384 O=S(=O)(NC1=C(C=CC(=C1)C2=NCCN2)C3=NCCN3)C4=CC(=CC=C4)S(=O)(=O)NC5=C(C=CC(=C5)C6=NCCN6)C7=NCCN7~   31.558
30385 C(CN[CH](CC1=CC=CC=C1)C2=CC=CC=C2)N[CH](CC3=CC=CC=C3)C4=CC=CC=C4~   12.428
30388 CCN(CC)C1=CC2=[N+](C3=CC=CC=C3)C4=CC(=CC=C4N=C2C=C1)N=NC5=CC=C(C=C5)N(C)C~   21.910
30389 CC(=O)OC1=C(CC2=C(OC(C)=O)C(=CC=C2)CC3=C(OC(C)=O)C(=CC(=C3)C)C)C=C(C)C=C1C~    9.959
30390 CCC(=O)OC1=CC=C(C=C1OC(=O)CC)[CH](CN(C)C)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3~   13.810
30391 OC1=C(CNCC2=CC=CC=C2)C(=C(CNCC3=CC=CC=C3)C=C1CNCC4=CC=CC=C4)O~   24.323
30393 CC1=CC=C(C=C1)S(=O)(=O)O[CH]2COCO[CH]2[CH](OS(=O)(=O)C3=CC=C(C)C=C3)[CH]4OCOC[CH]4OS(=O)(=O)C5=CC=C(C)C=C5~   23.133
30394 CO[CH]1[CH](C[CH]2CN3CCC4=C(NC5=CC(=CC=C45)OC)[CH]3C[CH]2[CH]1C(=O)OC)OC(=O)C6=CC=C(N)C=C6~   22.039
30395 CO[CH]1[CH](C[CH]2CN3CCC4=C(NC5=C4C=CC(=C5)OC)[CH]3C[CH]2[CH]1C(=O)OC)OC(=O)C6=CC(=CC=C6)N~   22.039
30397 O=C(CCCCC(=O)NC1=CC(=CC(=C1)C2=NCCN2)C3=NCCN3)NC4=CC(=CC(=C4)C5=NCCN5)[CH]6NCC=N6~   29.777
30398 CCC(=O)OC[CH]1O[CH](OC2=CC=C(C=C2)N=NC3=CC=CC=C3)[CH](OC(=O)CC)[CH](OC(=O)CC)[CH]1OC(=O)CC~   18.757
30399 CC1=NC2=C(C=C(NC(=O)CCCCCCCCC(=O)NC3=CC4=C(N)C=C(C)N=C4C=C3)C=C2)C(=C1)N~   25.830
30400 CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)C(OCC1=CC=CC=C1)OCC2=CC=CC=C2~   18.983
30401 CC(C)C1=C[C]23CC[CH]4[C](C)(CCC[C]4(C)C(O)=O)[CH]2C[CH]1[CH]5[CH]3C(=O)C6=C(C=CC=C6)C5=O~   12.301
30402 CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CC=C4C=C(CC[C]4(C)[CH]3C(=O)C[C]12C)OCC5=CC=CC=C5~   11.764
30403 CC(C)=C[CH]1[CH](C(=O)OC2=C(OC(=O)[CH]3[CH](C=C(C)C)C3(C)C)C=C4C(=CC(=O)OC4=C2)C)C1(C)C~    7.513
30408 CC(=O)O[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](CC[CH]4C(=O)C=CC5=CC(=CC=C5)[N+]([O-])=O)[CH]3CC=C2C1~   10.151
30409 COC1CCCC2C1C(OC(=O)C3=CC=CC=C3)C(=C4C5(O)CC6CC7C5CCC(C)N7C246)C(=O)OC~   16.983
30410 COC1C(O)CCC2C1C(OC(=O)C3=CC=CC=C3)C(=C4C5(O)CC6CC7C5CCC(C)N7C246)C(=O)OC~   18.420
30411 CC(=O)O[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](CC[CH]4C(=O)C=CC5=CC=CC=C5)[CH]3CC=C2C1~    7.747
30412 C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)COC(=O)[CH]5[CH]6C[CH](C=C6)[CH]5C(O)=O)[C]4(C)C[CH](O)[CH]23~   16.363
30414 CC1=CC2=C(C=CC=C2)C=[N+]1CCCCCCCCCC[N+]3=CC4=CC=CC=C4C=C3C~   13.340
30415 CCOC(OCC)C(=O)CN(C1=CC=C(C=C1)C(=O)N[CH](CCC(=O)OCC)C(=O)OCC)S(=O)(=O)C2=CC=C(C)C=C2~   18.717
30416 O=C(CCCCCCCCC(=O)CN1CCC2=C(C1)C=CC=C2)CN3CCC4=C(C3)C=CC=C4~   13.437
30418 CC(=O)O[CH]1CC[C]2(C)[CH](CC[CH]3[CH]4CC[CH](C(=O)C=CC5=CC=CC=C5)[C]4(C)CC[CH]23)C1~    7.762
30420 CC1=C2C(=C(O)C=C1)C(=CC(=[N+]2C)C)NCCCCCCNC3=C4C(=CC=C(C)C4=[N+](C)C(=C3)C)O~   27.932
30423 CC(C)CCCCCOC(=O)C1=C(SSC2=C(C=CC=C2)C(=O)OCCCCCC(C)C)C=CC=C1~    6.975
30424 C[CH]1O[CH](O[CH]2CC[C]3(C)[CH]4CC[C]5(C)[CH](CC[C]5(O)[CH]4CCC3=C2)C6=COC(=O)C=C6)[CH](O)[CH](O)[CH]1O~   15.182
30425 CCCCCN(CCCCC)C[CH](O)C1=CC(=C2C=CC3=C(C=CC(=C3)C(C)C)C2=C1)C~   10.550
30427 CCCCN(CCCC)CCCCCCC[CH](O)C1=C2C=CC=CC2=C3C=CC=CC3=C1~   10.388
30428 CCCCCCCCCCCCCCCCCC(=O)N1C2=C(SC3=C1C=CC=C3)C=CC=C2~    7.107
30429 O[CH](CCCCCCCC[CH](O)CN1CCC2=C(C1)C=CC=C2)CN3CCC4=C(C3)C=CC=C4~   15.074
30430 O[CH](CCCCCCCC[CH](O)CN1CCCC2=C1C=CC=C2)CN3CCCC4=C3C=CC=C4~   11.903
30433 C[C]12CC[CH](CC1=CC[CH]3[CH]2CC[C]4(C)[CH]3CC[C]4(O)C#C)OC(=O)CCC5CCCCC5~    7.541
30434 CC(C)C(C)C=CC(C)C1CCC23OOC(CC12C)C4=C3C=CC5CC(CCC45C)OC(C)=O~    3.975
30436 COC(=O)CC[CH](C)[CH]1CC[C]2(C)C3=C(C(=O)C[C]12C)[C]4(C)CC[CH](OC(C)=O)C(C)(C)[CH]4CC3=O~   12.020
30437 CO[CH]1C[CH](O[CH](C)[CH]1O)O[CH]2CC[C]3(C=O)[CH]4CC[C]5(C)[CH](CC[C]5(O)[CH]4CC[C]3(O)C2)C6=CC(=O)OC6~   19.658
30438 C[CH]1CC(C)(C)[N+](C)(CCC(C(=O)N(C(C)C)C(C)C)(C2=CC=CC=C2)C3=CC=CC=C3)C1~   19.903
30439 C[CH](CCC(=O)NS(=O)(=O)C1=CC=C(N)C=C1)[CH]2CC[CH]3[CH]4CC[CH]5C[CH](O)CC[C]5(C)[CH]4C[CH](O)[C]23C~   16.903
30440 C[N+]1(CCC(CCC2CC[N+](C)(CC2)CC3=CC=C(C=C3)C(N)=O)CC1)CC4=CC=C(C=C4)C(N)=O~   29.388
30442 CC1(C)[CH](O)CC[C]2(C)[CH]1CC[C]3(C)[CH]2C(=O)C=C4[CH]5C[C](C)(CC[C]5(C)CC[C]34C)C(O)=O~   12.706
30444 CCCCCCCN(CCCCCCC)C[CH](O)C1=C2C=CC=CC2=C3CCCCC3=C1~    9.402
30446 CCCCCCCCCCCCCCCCCCNC(=S)NN=CC1=C2C=CC=CC2=CC=C1~    6.044
30447 C[N+]1(CCC(CCC2CC[N+](C)(CC2)CCC3=CC=CC=C3)CC1)CCC4=CC=CC=C4~   19.570
30448 CCN(CC)CCC[CH](C)NC1=C2C=CC3=C(N[CH](C)CCCN(CC)CC)C=CN=C3C2=NC=C1~   21.409
30449 CC(C)C1=C2CC[C]3(C)[CH](CC[CH]4[CH]5[CH]6OC[C]5(CCC6(C)C)CC[C]34C)[C]2(C)CC1~    2.564
30452 CC1(C)CC[C]2(CC[C]3(C)C(=CC[CH]4[C]5(C)CC[CH](O)[C](C)(CO)[CH]5CC[C]34C)[CH]2C1)C(O)=O~   10.452
30453 CCCCCCCCC=CCCCCCCCC1=NCC[N+]1(CCO)CC(=O)C2=CC=CC=C2~   18.971
30454 C[CH](CCC=C(C)C)[CH]1CC[C]2(C)C3=C(CC[C]12C)[C]4(C)CC[CH](O)C(C)(C)[CH]4CC3~    3.320
30455 CC(=C)[CH]1CC[C]2(CO)CC[C]3(C)[CH](CC[CH]4[C]5(C)CC[CH](O)C(C)(C)[CH]5CC[C]34C)[CH]12~    5.272
30456 CC1(C)CC[C]23CC[C]4(C)[CH](CC[CH]5[C]6(C)CC[CH](O)C(C)(C)[CH]6CC[C]45C)[CH]2[CH]1OC3~    7.090
30457 CC(C)CCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCCC(C)C~    4.190
30459 CCCCCCCCC=CCCCCCCCC1=NCC[N+]1(CCO)CCC2=CC=CC=C2~   17.365
30460 CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)C2=CC=CC=C2~   18.914
30462 CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CCC2=CC=CC=C2~   17.308
30463 CCCCCCCCCCCCNC1=CC(=O)C(=CC1=O)NCCCCCCCCCCCC~   10.259
30464 CCCCCC[CH](C)OC(=O)CC(=CC(=O)O[CH](C)CCCCCC)C(=O)O[CH](C)CCCCCC~    6.703
30467 CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)OC(=O)CCCCCCCC~    6.173
30469 CCCCCCCCCCCCS[CH]1CO[CH]2[CH](CO[CH]12)SCCCCCCCCCCCC~    7.475
30470 CCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCC~    3.303
30471 CCCCCCCCCCCCCOC(=O)COCC(=O)OCCCCCCCCCCCCC~    3.658
30472 CCCCCCCCCCCCCOC(=O)C[CH](C(=O)OCCCCCCCCCCCCC)S(O)(=O)=O~   10.070
30475 CCCCCCCCCC(C)(C)SCCOCCOCCOCCOCCOCCOCCOCCOCCO~   20.533
30476 C[CH](CCN1CN(CC[CH](C)CC(C)(C)C)CN(CC[CH](C)CC(C)(C)C)C1)CC(C)(C)C~    1.072
30477 CCN(CC)CCC[CH](C)N1CN(CN(C1)[CH](C)CCCN(CC)CC)[CH](C)CCCN(CC)CC~   11.724
30479 N(C1=C2C=CC=CC2=CC=C1)C(=NC3=C4C=CC=CC4=CC=C3)C5=C6C=CC=CC6=CC=C5~   11.284
30481 C=CCN1C2=C(C=CC=C2)N=C1C3=CC=C(C=CC4=CC=C(C=C4)C5=NC6=C(N5)C=CC=C6)C=C3~   13.024
30482 SC1=NC=NC2=C1N=CN2[CH]3O[CH](COC(=O)C4=CC=CC=C4)[CH](OC(=O)C5=CC=CC=C5)[CH]3OC(=O)C6=CC=CC=C6~   20.595
30483 CC(=O)NC1=CC2=C(O)C(=C(C=C2C=C1S(O)(=O)=O)S(O)(=O)=O)N=NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)S(O)(=O)=O~   40.767
30484 OC(=O)CS[C](C1=CC=CC=C1)(C2=CC=C(C=C2)C3=CC=CC=C3)C4=C5C=CC=CC5=CC=C4~   13.638
30485 NC1=NC2=C(N=CN2[CH]3O[CH](COC(=O)C4=CC=CC=C4)[CH](OC(=O)C5=CC=CC=C5)[CH]3OC(=O)C6=CC=CC=C6)C(=N1)S~   20.496
30487 OC(C[CH](C1=CC=CC=C1)C2=C3C=CC=CC3=CC=C2)(C4=CC=CC=C4)C5=CC=CC=C5~   10.706
30488 CN(C)C1=CC=C(C=C1)C=NC2=CC3=C(C=C2)C4=CC=CC=C4C3=CC5=CC=C(C=C5)N(C)C~   11.050
30489 C(CC1=CNC2=CC=C(OCC3=CC=CC=C3)C=C12)N(CC4=CC=CC=C4)CC5=CC=CC=C5~   13.699
30491 CC1=NC2=C(C=C(NC(=O)C(CC=C)(CC3=CC=CS3)C(=O)NC4=CC5=C(C=C4)N=C(C)C=C5N)C=C2)C(=C1)N~   27.684
30494 CN(C)[CH]1[CH]2C[CH]3C(=C(O)[C]2(O)C(=O)C(=C1O)C(=O)NCNC4=C(C(O)=O)C(=CC=C4)C(O)=O)C(=O)C5=C(O)C=CC=C5[C]3(C)O~   34.128
30495 O=C(OCCN1C(=O)[CH]2[CH]3C[CH](C=C3)[CH]2C1=O)[CH]4[CH]5C[CH](C=C5)[CH]4C(=O)OCCN6C(=O)[CH]7[CH]8C[CH](C=C8)[CH]7C6=O~   21.910
30496 COC1=CC(=C2C=CC=C(C)C2=C1)C(=O)NC[C]3(C)O[C]4(OC(=O)[CH]3O)[CH](OC(=NC4=O)C(=CO)C(C)=O)[CH](O)[CH]5CN5C(C)=O~   29.703
30497 C[CH](CN[CH](CC1=CC=CC=C1)C2=CC=CC=C2)N[CH](CC3=CC=CC=C3)C4=CC=CC=C4~   12.305
30498 OC(CN(CC1=CC=CC=C1)CC2=CC=CC=C2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4~   16.305
30499 CO[CH]1[CH](OC(N)=O)[CH](O)[CH](OC2=CC=C3C(=C(NC(=O)C4=CC=C(O)C(=C4)CC=C(C)C)C(=O)OC3=C2C)O)OC1(C)C~   27.883
30500 O=C([CH]([CH](N1CCCCC1)C2=CC=CC=C2)N3CCCCC3)C4=CC=C(OC5=CC=CC=C5)C=C4~   12.921
30501 O=C([CH]([CH](N1CCOCC1)C2=CC=CC=C2)N3CCOCC3)C4=CC=C(CCC5=CC=CC=C5)C=C4~   16.544
30504 CCCCC(CCCC)(C(=O)NC1=CC=C2N=C(C)C=C(N)C2=C1)C(=O)NC3=CC4=C(C=C3)N=C(C)C=C4N~   25.708
30505 COC1=CC2=C(NCCCCCCCCCNC3=CC(=NC4=CC=C(OC)C=C34)C)C=C(C)N=C2C=C1~   18.799
30506 COC(=O)[CH]1[CH](C(=O)OC)[C]23C=C[C]14C[CH](CC[C]4(C)C2=CC[C]5(C)[CH](CC[CH]35)C(=O)COC(C)=O)OC(C)=O~   13.305
30507 COC(=O)[CH](C)[CH]1CC[CH]2[C]1(C)CC=C3[C]4(C)CC[CH](C[C]45C=C[C]23[CH]([CH]5C(=O)OC)C(=O)OC)OC(C)=O~   10.738
30508 CCCCCN(CCCCC)[CH](C)C(=O)C1=CC(=C2C=CC3=C(C=CC(=C3)C(C)C)C2=C1)C~    7.595
30509 CCN(CC)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CC)CC)=C3C=CC(C=C3)=[N+](CC)CC~   15.975
30510 CC(C)(C)C1=C2OCN(CC2=C(C3=C1CN(CO3)CC4=CC=CC=C4)C(C)(C)C)C5CCCCC5~    9.614
30512 CCN(CC)CCOC(=O)C1=CC=C(NC(=O)OC[CH](C)OC(=O)NC2=CC=C(C=C2)C(=O)OCCN(CC)CC)C=C1~   20.996
30515 CCCCCCCCCCCCCCCCCC(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2~    8.830
30517 OC1=NC=NC2=C1N=CN2[CH]3O[CH](COC(=O)NC4CCCCC4)[CH](OC(=O)NC5CCCCC5)[CH]3OC(=O)NC6CCCCC6~   28.979
30520 C[CH](CC[CH]1O[CH]2C[CH]3[CH]4CC=C5C[CH](CC[C]5(C)[CH]4CC[C]3(C)[CH]2[CH]1C)OC(C)=O)C6SCCS6~    9.573
30521 CCCCCCCN(CCCCCCC)C[CH](O)CC1=C2C=CC=CC2=C3CCCCC3=C1~    9.279
30522 CCCCCCCCN(CCCCCCCC)C[CH](O)C1=CC2=C(C=C1)C=C3CCCCC3=N2~   12.039
30524 CC(C)C(=C)CC[CH]([CH]1CC[C]2(C)C3=C(CC[C]12C)[C]4(C)CC[CH](O)C(C)(C)[CH]4CC3)C(O)=O~    8.520
30525 CC[CH](C=C[CH](C)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(C)=O)C(C)C~    1.788
30526 CC[CH](CC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(C)=O)C(C)C~    1.717
30527 CCCCCCCC(=O)OCCCC(CCCOC(=O)CCCCCCC)OC(=O)CCCCCCC~    6.050
30529 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC~    0.311
30530 CCCCCCCCCCCCOCCCNC(=S)NCCCOCCCCCCCCCCCC~    6.783
30531 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS~   -0.107
30532 [O-][N+](=O)C1=CC=C2C(=C1)C(=NC3=CC=C(C=C3)N=C4C5=CC(=CC=C5C6=C4C=C(C=C6[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)C7=C2C(=CC(=C7)[N+]([O-])=O)[N+]([O-])=O~   23.270
30533 [O-][N+](=O)C1=CC2=C(C=C1)C3=CC=C(C=C3C2=NC4=CC=C(C=C4)N=C5C6=CC(=CC=C6C7=CC=C(C=C57)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O~   18.462
30534 [O-][N+](=O)C1=CC2=C(C=C1)C3=CC=CC=C3C2=NC4=CC=C(C=C4)N=C5C6=CC=CC=C6C7=CC=C(C=C57)[N+]([O-])=O~   13.654
30535 C1=CC2=C(C=C1)C(=NC3=CC=C(C=C3)N=C4C5=C(C=CC=C5)C6=CC=CC=C46)C7=CC=CC=C27~    8.848
30536 O=C1OC(=O)C2=C(C3=CC=CC=C3)C(=C(C4=CC=CC=C4)C(=C12)C5=CC=CC=C5)C6=CC=CC=C6~    9.772
30537 OC(=O)C1=C(C=CC=C1)C2=C3C=CC(C=C3OC4=C2C=CC(=C4)NC5=CC=C(C=C5)S(O)(=O)=O)=NC6=CC=CC=C6~   21.119
30538 OC1=C(N=NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N=NC4=C5C(=CC=C4O)C=CC=C5S(O)(=O)=O)C6=C(C=CC=C6S(O)(=O)=O)C=C1~   34.379
30543 NC1=C2C=CC=CC2=C(C=C1N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(N)C6=C(C=CC=C6)C(=C5)S(O)(=O)=O)S(O)(=O)=O~   30.097
30544 NC1=C2C=C(C=CC2=C(C=C1)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C6C=CC(=CC6=C(N)C=C5)S(O)(=O)=O)S(O)(=O)=O~   30.097
30546 OC1(C2=CC=CC=C2)C3=C(C=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=C1C=CC=C6~   11.428
30548 CC1=CC=CC(=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5~    6.599
30549 C1CC(CCC1=NC2=CC3=C(C=C2)C4=CC=CC=C4C3)=NC5=CC6=C(C=C5)C7=CC=CC=C7C6~    7.451
30550 O=C(NN(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)NN(C4=CC=CC=C4)C5=CC=CC=C5~   15.693
30551 OC1(CC=C)C(=C(C2=CC=CC=C2)C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5~   10.788
30554 CC1=C(N)C=CC(=C1)C(C2=CC=C(NC3=CC=CC=C3)C=C2)=C4C=CC(C=C4)=NC5=CC=CC=C5~   12.693
30555 N#CC(CCCCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4~   11.654
30556 O=C(CCCCC(=O)N=C(C1=CC=CC=C1)C2=CC=CC=C2)N=C(C3=CC=CC=C3)C4=CC=CC=C4~    9.959
30559 O=C(NC1=CC(=CC=C1)C2=NCCN2)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)NC5=CC(=CC=C5)C6=NCCN6~   23.752
30560 CC1=C(N)C=CC(=C1)C(O)(C2=CC=C(NC3=CC=CC=C3)C=C2)C4=CC=C(NC5=CC=C(C=C5)S(O)(=O)=O)C=C4~   26.008
30561 CCN(CC)C1=CC2=[N+](C3=CC=CC=C3)C4=CC(=CC=C4N=C2C=C1)N=NC5=C6C=CC=CC6=CC=C5O~   25.105
30562 CC1=CC(=C(N=NC2=CC(=C(C=C2C)N=NC3=C(C=C4C=C(NC5=CC=CC=C5)C=CC4=C3O)S(O)(=O)=O)C)C(=C1)C)S(O)(=O)=O~   28.590
30564 COC1=C(OC)C2=C(C=C1)[CH](OC2=O)[CH]3N(C)CCC4=C([CH]5OC(=O)C6=C(OC)C(=CC=C56)OC)C7=C(OCO7)C(=C34)OC~   22.277
30565 C1CCC2=C3C=CC=CC3=C(C=NCCN=CC4=C5C=CC=CC5=C6CCCCC6=C4)C=C2C1~    7.627
30566 CCN(C(=O)[CH]([CH](C(=O)N(CC)C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4~   11.280
30569 CCC(=C(CC)C1=CC=C(OCC2=CC=CC=C2)C=C1)C3=CC=C(OCC4=CC=CC=C4)C=C3~    7.914
30570 CCN(CC)CCOC(=O)C(O)(C1=CC=C(C=C1)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4~   11.914
30571 C(C=CCN(CC1=CC=CC=C1)CC2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4~   11.801
30573 COC(=O)CCC1=C2NC(=C1C)C=C3N=C(C=C3C)C=C4NC(=CC5=NC(=C2)C(=C5C)CCC(=O)OC)C=C4C~   15.291
30574 CC(=O)OC1=C(CC2=C(OC(C)=O)C(=CC(=C2)C(C)=O)CC3=C(OC(C)=O)C(=CC(=C3)C)C)C=C(C)C=C1C~   12.697
30575 C1CCC2=C3C=CC=CC3=C(CNCCNCC4=C5C=CC=CC5=C6CCCCC6=C4)C=C2C1~   12.558
30577 CCN(CC)C1=CC2=[N+](C3=CC=CC=C3)C4=CC(=C(C)C=C4N=C2C=C1C)N=NC5=CC=C(C=C5)N(C)C~   21.824
30578 NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NCN[CH](CSSC[CH](NCNC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(N)C=C4)C(O)=O)C(O)=O)C=C2~   36.684
30579 CCN(CC1=CC(=CC=C1)S(O)(=O)=O)C2=CC(=C(C=C2)C(C3=CC=C(C=C3)N(C)C)=C4C=CC(C=C4)=[N+](C)C)S([O-])(=O)=O~   30.345
30581 CC(=O)OC[CH]1O[CH](O[CH]2[CH](COC(C)=O)O[CH](SC3=CC=CC=C3)[CH](OC(C)=O)[CH]2OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O~   27.889
30582 CCOC(=O)C1=C(C)C(=C(CC2=C(C)C(=C(CC3=C(C(=C(N3)C(=O)OCC)C)C(=O)OCC)N2)C(=O)OCC)N1)C(=O)OCC~   22.900
30583 CCN(CC)CCOC(=O)C1=CC=C(NC(=O)OCC#CCOC(=O)NC2=CC=C(C=C2)C(=O)OCCN(CC)CC)C=C1~   22.077
30584 CNC(=O)[CH](C)[CH]1N([CH]2CC[CH](O)[CH](C)O2)C(=O)C(=C(O)C=CC(C)=C[CH](C)[CH]3O[C]4(C)O[CH](C=C[C]45CO5)[CH]3C)C1=O~   24.638
30585 CCN(CC)CCCNC1=NC(=C2N=C(C3=CC=CC=C3)C(=NC2=N1)C4=CC=CC=C4)NCCCN(CC)CC~   20.221
30587 C[CH](CC=CC1=CC=CC=C1)[CH]2CC[CH]3[CH]4CC=C5C[CH](CC[C]5(C)[CH]4CC[C]23C)OC(C)=O~    3.810
30588 CC(C)=C[CH]1[CH](C(=O)OCC[CH](COC(=O)[CH]2[CH](C=C(C)C)C2(C)C)CC3=CC4=C(OCO4)C=C3)C1(C)C~    8.625
30589 CCN(CC)CCOC(=O)C1=CC=C(NC(=O)OCCCCOC(=O)NC2=CC=C(C=C2)C(=O)OCCN(CC)CC)C=C1~   20.873
30591 CC(=O)OC(C)(C)C=CC(=O)[C](C)(O)[CH]1[CH](O)C[C]2(C)[CH]3CC=C4[CH](C[CH](O)C(=O)C4(C)C)[C]3(C)C(=O)C[C]12C~   12.228
30592 CC(C)CCCN(CCCC(C)C)C[CH](O)C1=CC(=C2C=CC3=C(C=CC(=C3)C(C)C)C2=C1)C~   10.303
30594 CCCCCCCCCCCCCCCCCCOC(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2~    8.158
30596 C[CH]1CC[C]2(CC[C]3(C)C(=CC(=O)[CH]4[C]5(C)CC[CH](OC(C)=O)C(C)(C)[CH]5CC[C]34C)[CH]2[CH]1C)C(O)=O~   10.893
30599 CCC[N+]1(CCC(CCC2CC[N+](CCC)(CC2)CC3=CC=C(C=C3)[N+]([O-])=O)CC1)CC4=CC=C(C=C4)[N+]([O-])=O~   24.131
30600 CCC(C)(C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)C2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C~    9.268
30601 C[C]12CC[CH]3[CH](CC=C4C[CH](CC[C]34C)O[CH]5CCCCO5)[CH]1CC[CH]2OC(=O)CCC6CCCC6~    6.614
30602 CC(C)CCC[CH](C)[CH]1CC[C]2(C)C3=C(C(=O)C[C]12C)[C]4(C)CC[CH](OC(C)=O)C(C)(C)[CH]4CC3=O~    8.903
30604 CCCCCCCCN(CCCCCCCC)C[CH](O)C1=C2C=CC=CC2=C3CCCCC3=C1~    9.156
30606 CCCCN(CCCCCCCCCCN(CCCC)C1=CC=C(OC)C=C1)C2=CC=C(OC)C=C2~    7.613
30607 CC(=O)O[CH]1CC[C]2(C)[CH](CC[C]3(C)[CH]2CC[CH]4[CH]5[CH]6OC[C]5(CCC6(C)C)CC[C]34C)C1(C)C~    5.277
30608 CC(C)CCC[CH](C)[CH]1CC[C]2(C)[CH]3[CH](C(=O)C[C]12C)[C]4(C)CC[CH](OC(C)=O)C(C)(C)[CH]4CC3=O~    8.446
30609 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3C[CH]([N+]4=CC=CC=C4)[C]5(O)C[CH](O)CC[C]5(C)[CH]3CC[C]12C~   13.921
30610 CC(C)CCC[CH](C)[CH]1CC[C]2(C)C3=C(CC[C]12C)[C]4(C)CC[CH](OC(C)=O)C(C)(C)[CH]4C[CH]3OO~    5.556
30611 O=C(CCCCC(=O)O[CH](CC[CH]1CCCO1)CC[CH]2CCCO2)O[CH](CC[CH]3CCCO3)CC[CH]4CCCO4~   13.599
30614 CCCCCCOC(=O)C[CH](S[CH](CC(=O)OCCCCCC)C(=O)OCCCCCC)C(=O)OCCCCCC~   10.889
30615 CCCCCCCC(=O)OCCC[CH](CC[CH](C)OC(=O)CCCCCCC)OC(=O)CCCCCCC~    5.928
30617 CCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCC~   -0.587
30619 CCCCCCCCCCCC[N+](C)(C)CCCC[N+](C)(C)CCCCCCCCCCCC~   14.951
30621 OC1=C2C=CC(=CC2=CC(=C1N=NC3=CC=CC=C3)S(O)(=O)=O)NC(=O)NC4=CC5=C(C=C4)C(=C(N=NC6=CC=CC=C6)C(=C5)S(O)(=O)=O)O~   37.730
30622 COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(O)C=C3O)C4=CC(=CC=C4OC)C5=CC(=O)C6=C(O5)C=C(OC)C=C6O~   23.163
30623 CC1=CC=C(NC2=C3C(=C(C=C2)N=NC4=C5C=CC=CC5=C(C=C4)N=NC6=CC(=CC=C6)S(O)(=O)=O)C=CC=C3S(O)(=O)=O)C=C1~   25.745
30624 CC1=CC=C(C=C1)N=NC2=C3C=CC(=CC3=C(C=C2)N=NC4=C(O)C5=CC=C(NC6=CC=CC=C6)C=C5C=C4S(O)(=O)=O)S(O)(=O)=O~   29.728
30626 NC1=CC=CC(=C1)N=NC2=C(C=C3C=C(NC(=O)NC4=CC5=C(C=C4)C(=C(N=NC6=CC(=CC=C6)N)C(=C5)S(O)(=O)=O)O)C=CC3=C2O)S(O)(=O)=O~   44.553
30627 O=C(OC[CH]1O[CH](OC(=O)C2=CC=CC=C2)[CH](OC(=O)C3=CC=CC=C3)[CH]1OC(=O)C4=CC=CC=C4)C5=CC=CC=C5~   17.258
30628 O=C1[CH](CCC2=C1C=CC3=C2C=CC=C3)[C]4(CCC5=C(C=CC6=C5C=CC=C6)C4=O)[N+]7=CC=CC=C7~   19.851
30629 CC1=CC=CC(=C1)[CH](C2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5~    6.432
30630 COC1=C(C=CC=C1)[CH](C2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5~    7.703
30631 O=C(OC[CH]1O[CH](OCC2=CC=CC=C2)[CH](OC(=O)C3=CC=CC=C3)[CH]1OC(=O)C4=CC=CC=C4)C5=CC=CC=C5~   16.256
30632 CC1=C(C=CC(=C1N)C(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5~    9.963
30634 CC1=NC2=C(C=C(NC(=O)C(CC=C)(CC3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)N=C(C)C=C5N)C=C2)C(=C1)N~   27.420
30635 CN(C)C1=CC=C(C=C1)C(=C2C=CC(C=C2)=[N+](C)C)C3=C4C=CC=CC4=C(NC5=CC=CC=C5)C=C3~   19.636
30636 C1OC2=C3CN(COC3=C4CN(COC4=C2CN1CC5=CC=CC=C5)CC6=CC=CC=C6)CC7=CC=CC=C7~   16.553
30637 O=C([CH]([CH](N1CCOCC1)C2=CC=CC=C2)N3CCOCC3)C4=C(OC(=C4)C5=CC=CC=C5)C6=CC=CC=C6~   17.848
30639 CC1=C(C=C)C(NC1=O)=CC2=C(C)C(=C(CC3=C(CCC(O)=O)C(=C(N3)C=C4NC(=O)C(=C4C)C=C)C)N2)CCC(O)=O~   28.963
30640 CO[CH]([CH](C)CCC=C(C)C)C(=O)C1=C2OC3=C4C=CC(C)(C)OC4=CC(=C3C(=O)[CH]2C5=C(CCCC5)C1=O)O~   15.243
30641 C[CH]1O[CH](OC[CH]2O[CH](OC3=C(OC4=CC(=CC(=C4C3=O)O)O[CH]5O[CH](C)[CH](O)[CH](O)[CH]5O)C6=CC=C(O)C=C6)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O~   37.167
30643 C[CH]1CC[CH](C)N1C2=CC=C(C=C2)[CH](C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N5[CH](C)CC[CH]5C~    9.535
30644 CO[CH]1[CH](C[CH]2C[N+]3(N)CCC4=C(NC5=CC(=CC=C45)OC)[CH]3C[CH]2[CH]1C(=O)OC)OC(=O)C6=CC(=C(OC)C(=C6)OC)OC~   33.134
30645 CCCCCCCCCCCCCCCCS[CH]1CC(=O)N(C1=O)C2=CC3=C(C=C2)C4=CC=CC=C4C3~    8.519
30647 CC(=O)OCC(=O)[C]1(C)CC[C]2(C)CC[C]3(C)C(=CC(=O)[CH]4[C]5(C)CCC(=O)C(C)(C)[CH]5CC[C]34C)[CH]2C1~   11.504
30649 CCCCCCCCCCOC1=CC=C(C=C1)C(=O)C2=C(O)C=C(OCCCCCCCCCC)C=C2~    6.836
30650 C[N+]1(CCC(CCCCCCCC2CC[N+](C)(CC2)CC3=CC=C(C=C3)[N+]([O-])=O)CC1)CC4=CC=C(C=C4)[N+]([O-])=O~   24.008
30653 O=C1C2=CC=CC=C2C3=CC=C4C5=CC=C6C7=C(C=CC=C7)C(=O)C8=C6C5=C(C=C8)C9=C4C3=C1C=C9~   13.893
30654 O=C1C2=CC=CC=C2C3=CC=C4C5=CC=C6C(=O)C7=C(C=CC=C7)C8=C6C5=C(C=C8)C9=C4C3=C1C=C9~   13.893
30655 OC1=C2C3=C(O)C=C4C5=C(C=CC=C5)C(=O)C6=CC=C(C7=C2C8=C(C=C7)C(=O)C9=CC=CC=C9C8=C1)C3=C46~   21.857
30656 OC1=CC2=C(C=C1)C3(OC(=O)C4=C3C=C5C(=O)OC6(C7=C(OC8=C6C=CC(=C8)O)C=C(O)C=C7)C5=C4)C9=C(O2)C=C(O)C=C9~   29.833
30658 OC1=CC=C(C=C1)C2(OC(=O)C3=C2C=C4C(=O)OC(C5=CC=C(O)C=C5)(C6=CC=C(O)C=C6)C4=C3)C7=CC=C(O)C=C7~   27.824
30660 CCOC(=O)NC1=CC=C2C(=O)C3=CC=CC=C3C(=O)C2=C1C4=C(NC(=O)OCC)C=CC5=C4C(=O)C6=CC=CC=C6C5=O~   23.180
30661 OC1=C(N=NC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)C=C(C=C4)S(O)(=O)=O)C(=CC5=CC(=CC(=C15)NC(=O)C6=CC=CC=C6)S(O)(=O)=O)S(O)(=O)=O~   39.917
30662 OC1=C2C=CC=CC2=C(C=C1N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=NC5=C(O)C6=C(C=CC=C6)C(=C5)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O~   44.377
30665 OC1=C(N=NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N=NC4=C5C=CC=CC5=CC=C4O)S(O)(=O)=O)S(O)(=O)=O)C6=C(C=CC=C6)C=C1~   31.682
30668 COC1=CC(=CC=C1N=NC2=C(O)C3=C(C=CC=C3)C(=C2)S(O)(=O)=O)C4=CC(=C(C=C4)N=NC5=CC(=C6C=CC=CC6=C5O)S(O)(=O)=O)OC~   33.614
30669 OS(=O)(=O)C1=CC2=C(C=C1)C=C(NC(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(NC(=O)NC5=CC6=C(C=C5)C=C(C=C6)S(O)(=O)=O)C=C4)C=C2~   39.857
30670 CC1=CC(=CC=C1N=NC2=C(O)C3=C(C=CC=C3)C(=C2)S(O)(=O)=O)C4=CC(=C(C=C4)N=NC5=C(C=C6C=C(C=C(O)C6=C5O)S(O)(=O)=O)S(O)(=O)=O)C~   41.386
30672 OS(=O)(=O)C1=CC2=NC3=C(C=C(NC4=CC=CC=C4)C5=C3C=CC=C5S([O-])(=O)=O)[N+](=C2C=C1NC6=CC=CC=C6)C7=CC=CC=C7~   37.087
30676 NC1=C(N=NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N=NC4=C5C=CC=CC5=CC=C4N)S(O)(=O)=O)S(O)(=O)=O)C6=C(C=CC=C6)C=C1~   30.622
30678 O=C(OOC(=O)C1CC2C3=C(C=CC=C3)C1C4=C2C=CC=C4)C5CC6C7=C(C=CC=C7)C5C8=C6C=CC=C8~    9.421
30680 COC1=C(C=CC(=C1)C2=CC=C(N=NC3=C4C=CC=CC4=CC=C3O)C(=C2)OC)N=NC5=C(O)C6=C(N)C(=CC(=C6C=C5)S(O)(=O)=O)S(O)(=O)=O~   37.067
30681 COC1=C(C=CC(=C1)C2=CC=C(N=NC3=C(C=C4C=C(N)C=CC4=C3O)S(O)(=O)=O)C(=C2)OC)N=NC5=CC(=C6C=CC=CC6=C5O)S(O)(=O)=O~   37.067
30682 COC1=CC(=C(C)C=C1N=NC2=C(C=C3C=C(NC4=CC=CC=C4)C=CC3=C2O)S(O)(=O)=O)N=NC5=C6C(=CC(=CC6=CC(=C5)S(O)(=O)=O)S(O)(=O)=O)O~   41.270
30684 NC1=CC(=C(C=C1)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=C(C=C5C=C(C(=C(O)C5=C4N)N=NC6=CC=CC=C6)S(O)(=O)=O)S(O)(=O)=O)N~   39.085
30685 COC1=CC(=CC=C1N=NC2=C(O)C3=C(C=C2)C(=CC=C3N)S(O)(=O)=O)C4=CC(=C(C=C4)N=NC5=C(O)C6=C(N)C=CC(=C6C=C5)S(O)(=O)=O)OC~   40.519
30691 CC1=CC(=CC=C1N=NC2=C(N)C3=C(C=CC=C3)C(=C2)S(O)(=O)=O)C4=CC(=C(C=C4)N=NC5=CC(=C6C=CC=CC6=C5N)S(O)(=O)=O)C~   30.011
30692 CC1=C(C=CC(=C1)N=NC2=C(N)C3=C(C=CC=C3)C(=C2)S(O)(=O)=O)C4=C(C)C=C(C=C4)N=NC5=CC(=C6C=CC=CC6=C5N)S(O)(=O)=O~   30.011
30695 CC1=CC(=CC=C1N=NC2=C3C=CC(=CC3=CC=C2N)S(O)(=O)=O)C4=CC(=C(C=C4)N=NC5=C(N)C(=CC6=C5C=CC(=C6)S(O)(=O)=O)S(O)(=O)=O)C~   36.342
30696 O[C]1(COC(=O)C2=CC=CC=C2)O[CH](COC(=O)C3=CC=CC=C3)[CH](OC(=O)C4=CC=CC=C4)[CH]1OC(=O)C5=CC=CC=C5~   21.572
30698 COC1=CC=C(C=C1)C2(OC)C3=C(C=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=C2C=CC=C6~   10.151
30701 O=C(OC[CH]1O[CH](O[CH]1[CH]2O[CH](O[CH]2COC(=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6~   17.341
30702 O=C(O[CH]1CO[CH](O[CH]1[CH]2O[CH](OC[CH]2OC(=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6~   17.341
30703 C([CH](NC1=CC=C(N[CH](CC2=CC=CC=C2)C3=CC=CC=C3)C=C1)C4=CC=CC=C4)C5=CC=CC=C5~   12.614
30704 COC(=O)CCC1=C2NC(=C1C)C=C3N=C(C=C4NC(=CC5=NC(=C2)C(=C5C)CCC(=O)OC)C(=C4C#N)C)C(=C3C#N)C~   20.595
30706 COC1=C(OS(=O)(=O)C2=CC=C(C)C=C2)C=C3[CH]([CH]4COC(=O)[CH]4CC3=C1)C5=CC=C(OS(=O)(=O)C6=CC=C(C)C=C6)C(=C5)OC~   17.249
30707 CC1=C2NC(=C1CCC(O)=O)C=C3N=C(C=C4NC(=CC5=NC(=C2)C(=C5C)C=C)C(=C4C)C=C)C(=C3CCC(O)=O)C~   20.099
30708 CCC1=C(C)C2=CC3=C(C=C)C(=C(N3)C=C4N=C([CH](CCC(O)=O)[CH]4C)C5=C6N=C(C=C1N2)C(=C6C(=O)[CH]5C(O)=O)C)C~   24.095
30711 CCCCCCCCCC1=CC=[N+](C=C1)C2=C(O)C(=O)C3=C(C4C5=C(C=CC=C5)C3C6=C4C=CC=C6)C2=O~   19.302
30712 CN(C)C1=CC=C(C=C1)C(=C2C=CC(C=C2)=[N+](C)C)C3=C4C=CC=CC4=C(C=C3)N(C)C5=CC=CC=C5~   18.324
30713 O=C(OCCN(CCOC(=O)C1=CC=CN=C1)CCN(CCOC(=O)C2=CC=CN=C2)CCOC(=O)C3=CC=CN=C3)C4=CC=CN=C4~   31.967
30714 CC(=C)C1=CC2=C(C=C1)[C]3(C)CCC[C](C)(COC(=O)C4=CC=CC=C4)[CH]3C[CH]2OC(=O)C5=CC=CC=C5~    8.535
30715 CCN(CC)CCOC(=O)C1=CC(=C(OCC2=CC=CC=C2)C(=C1)OCC3=CC=CC=C3)OCC4=CC=CC=C4~   14.358
30716 CCC1=C(C)C2=CC3=NC(=CC4=C(CCC(O)=O)C(=C(N4)C=C5N=C(C=C1N2)C(=C5CC)C)C)C(=C3C)CCC(O)=O~   19.666
30717 CCOC(=O)CCC1=C2NC(=C1C)C=C3N=C(C=C3C)C=C4NC(=CC5=NC(=C2)C(=C5C)CCC(=O)OCC)C=C4C~   15.044
30719 C(CN(CCOC1=CC=CC=C1)CCN(CCOC2=CC=CC=C2)CCOC3=CC=CC=C3)OC4=CC=CC=C4~   16.582
30720 CCN=CC1=C2C(=C(C(=CC2=C(C(C)C)C(=C1O)O)C)C3=C(O)C4=C(C=C3C)C(=C(O)C(=C4C=NCC)O)C(C)C)O~   30.668
30721 CC(C)C1=C2C=C(C)C(=C(O)C2=C(C=NCCO)C(=C1O)O)C3=C(O)C4=C(C=C3C)C(=C(O)C(=C4C=NCCO)O)C(C)C~   36.542
30723 CCSC(SCC)[CH](OC(C)=O)[CH](OC(C)=O)[CH](COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OC(C)=O~   17.419
30724 CC(=O)OC[CH]1O[CH](OC[CH]2O[CH](O[CH](C#N)C3=CC=CC=C3)[CH](OC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O~   27.804
30725 CCN(CC)CCOC(=O)C1=CC=C(NC(=O)OC2=CC=C(OC(=O)NC3=CC=C(C=C3)C(=O)OCCN(CC)CC)C=C2)C=C1~   20.971
30726 COC1=CC2=C(C=C(C)C(=C2OC)C3=C(OC)C4=C(C=C3C)C(=C(OC)C(=C4)OC)C(C)C)C(=C1OC)C(C)C~   12.109
30727 C[N+](C)(CC[N+](C)(C)[CH](CC1=CC=CC=C1)C2=CC=CC=C2)[CH](CC3=CC=CC=C3)C4=CC=CC=C4~   22.029
30728 C[CH]([CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C)C(O)(C5=CC=CC=C5)C6=CC=CC=C6~    8.015
30729 COC1=CC(=CC(=C1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)OC)[CH]3OC[CH]4[CH]3CO[CH]4C5=CC(=C(O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)C(=C5)OC)OC~   33.876
30731 CC[N+]1=C(C=CC=C1)N(CCCCCCCCCCN(C2=CC=CC=N2)C3=CC=CC=[N+]3CC)C4=CC=CC=N4~   21.721
30732 CC[N+](CCCCCCCCCC[N+](CC)(C1=CC=CC=N1)C2=CC=CC=N2)(C3=CC=CC=N3)C4=CC=CC=N4~   30.604
30734 CC(C)CCC[CH](C)[CH]1CC[CH]2C3=CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)C5=CC=CC=C5~    2.740
30735 CC(=O)O[CH]1C[C]2(C)[CH]3CC=C4[CH](C[CH](O)C(=O)C4(C)C)[C]3(C)C(=O)C[C]2(C)[CH]1[C](C)(O)C(=O)C=CC(C)(C)OC(C)=O~   13.415
30736 CCCCCCCCN(CCCCCCCC)C[CH](O)C1=C2C=C(OC)C=CC2=NC(=C1)C3=CC=CC=C3~   14.358
30737 CCCCCCCCCCCCNNC(=O)[CH]1[CH](CO)[CH](O)C2=C(C=C3OCOC3=C2)[CH]1C4=CC(=C(OC)C(=C4)OC)OC~   23.257
30738 CC[N+](CC)(CCCOC1=CC=C(OCCC[N+](CC)(CC)CC2=CC=C(C=C2)[N+]([O-])=O)C=C1)CC3=CC=C(C=C3)[N+]([O-])=O~   27.627
30739 CCN(CC)C[CH](C)OC(=O)C1=CC=C(NC(=O)OCCCCOC(=O)NC2=CC=C(C=C2)C(=O)O[CH](C)CN(CC)CC)C=C1~   20.627
30740 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3C[CH](NCC4=CC=CC=C4)[C]56C[CH]5CC[C]6(C)[CH]3CC[C]12C~    4.451
30741 CC(=C)[CH]1CC[C]2(CC[C]3(C)[CH](CC[CH]4[C]5(C)CC[CH](OC(C)=O)C(C)(C)[CH]5CC[C]34C)[CH]12)COC(C)=O~    4.646
30742 CCCCCCCCCN(CCCCCCCCC)C[CH](O)C1=C2C=CC=CC2=C3CCCCC3=C1~    8.910
30743 O=C(CCCCCCCCC(=O)N(C1CCCCC1)C2CCCCC2)N(C3CCCCC3)C4CCCCC4~    8.304
30744 CCCCCCCCN(CCCCCCCC)CCCCCCCCCN1CCCC2=C1C=CC=C2~    4.854
30745 CCCCCCCCC(=O)OCCCC(CCCOC(=O)CCCCCCCC)OC(=O)CCCCCCCC~    5.680
30747 CCCCCCCCCCCCCCCCNC(=S)C(=S)NCCCCCCCCCCCCCCCC~    4.996
30748 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC~   -0.678
30749 CCCCCCCCCCCCCCCCNCCNCCCCCCCCCCCCCCCC~    4.611
30751 O=C(NC1=C2C(=O)C3=CC=CC(=C3C(=O)C2=CC=C1)NC4=C5C(=O)C6=CC=CC=C6C(=O)C5=CC=C4)C7=CC=CC=C7~   25.081
30752 OC(=O)C1=C(O)C=CC(=C1)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=CC=C(O)C(=C4O)N=NC5=C6C=CC=CC6=C(C=C5)S(O)(=O)=O~   31.963
30753 NC1=C(N=NC2=CC=C(C=C2)[N+]([O-])=O)C(=CC3=CC(=C(N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=CC(=C(O)C=C6)C(O)=O)C(=C13)O)S(O)(=O)=O)S(O)(=O)=O~   40.164
30757 CC(=O)NC1=CC=C(C=C1)N=NC2=C(C=C3C=C(NC(=O)NC4=CC5=C(C=C4)C(=C(N=NC6=CC=CC=C6)C(=C5)S(O)(=O)=O)O)C=CC3=C2O)S(O)(=O)=O~   43.678
30760 CO[CH]1O[CH](COC(=O)C2=CC=CC=C2)[CH](OC(=O)C3=CC=CC=C3)[CH](OC(=O)C4=CC=CC=C4)[CH]1OC(=O)C5=CC=CC=C5~   18.367
30761 COC1=CC=C(C=C1)C2(O)C3=C(C=CC=C3)C(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=C2C=CC=C6~   15.112
30762 CO[CH]1O[CH](COS(=O)(=O)C2=CC=C(C)C=C2)[CH](OC(=O)C3=CC=CC=C3)[CH](OC(=O)C4=CC=CC=C4)[CH]1OC(=O)C5=CC=CC=C5~   19.959
30763 O=C(NC1=CC(=CC=C1)C2=NCCN2)C3=CC=C(OCCCOC4=CC=C(C=C4)C(=O)NC5=CC(=CC=C5)C6=NCCN6)C=C3~   25.983
30764 CO[CH]1O[CH](COS(=O)(=O)C2=CC=C(C)C=C2)[CH](OS(=O)(=O)C3=CC=C(C)C=C3)[CH](OC=O)[C]1(OC(=O)C4=CC=CC=C4)C5=CC=CC=C5~   21.801
30766 COC(=O)CCC1=C2NC(=C1C)C=C3N=C(C=C4NC(=CC5=NC(=C2)C(=C5C)CCC(=O)OC)C(=C4C)C=C)C(=C3C)C=O~   18.426
30770 CCN(CC)C1=C2C=CC=CC2=C(C=C1)C(C3=CC=CC=C3)C4=C5C=CC=CC5=C(C=C4)N(CC)CC~    9.538
30771 CN1C=C(CCC2=CC=[N+](CCC[N+]3=CC=C(CCC4=CN(C)C5=C4C=CC=C5)C=C3)C=C2)C6=CC=CC=C16~   19.031
30772 C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)COC(=O)C(C5=CC=CC=C5)C6=CC=CC=C6)[C]4(C)C[CH](O)[CH]23~   13.390
30773 CO[CH]1[CH](C[CH]2CN3CCC4=C(NC5=CC(=CC=C45)OC)[CH]3C[CH]2[CH]1C(=O)OC)OC(=O)C=CC6=CC(=C(OC)C(=C6)OC)OC~   23.194
30774 C[C]12CC[CH]3[CH](CC=C4C=C(CC[C]34C)OCC5=CC=CC=C5)[CH]1CC[CH]2OC(=O)CCC6=CC=CC=C6~    6.187
30775 CCCOC1=CC(=C(C(=C1)C)C(=O)O[CH]2C[CH]3CN4CCC5=C(NC6=CC(=CC=C56)OC)[CH]4C[CH]3[CH]([CH]2OC)C(=O)OC)C~   19.483
30776 CO[CH]1[CH](C[CH]2CN3CCC4=C(NC5=CC(=CC=C45)OC)[CH]3C[CH]2[CH]1C(=O)OC)OC(=O)CCC6=CC(=C(OC)C(=C6)OC)OC~   22.538
30777 CCCCCCCCCCCCCCCC1=CC(=CC=C1[N+]([O-])=O)O[CH]2O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O~   17.323
30778 CCCCCCCCCCCCCCCC1=CC(=C(N)C=C1)O[CH]2O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O~   18.371
30779 CCCCCCCCCCCCCCCC1=CC(=CC=C1N)O[CH]2O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O~   18.371
30781 COC1=C(OC)C=C(CN[CH](CCCCC[CH](CCC(C)C)NCC2=CC=C(OC)C(=C2)OC)CCC(C)C)C=C1~   13.554
30784 CCCC[CH](CC)CN(CCCCCCCCCN1CCCC2=C1C=CC(=C2)OC)C[CH](CC)CCCC~    6.082
30785 CCCCCCCCN(CCCCCCCC)CCCCCCCCCN1CCCC2=C1C=CC(=C2)OC~    6.082
30786 C[CH](O)CO[CH](C)CO[CH](C)CO[CH](C)CO[CH](C)CO[CH](C)CO[CH](C)CO[CH](C)C[N+]1(CCOCC1)CC2=CC=CC=C2~   31.827
30787 CCCCCCCCCCCCCCCCOC(=O)CC(=O)OCCCCCCCCCCCCCCCC~    2.688
30788 CCCCCCCCCCCCCCCCCCNC(=S)NCCCCCCCCCCCCCCCC~    2.181
30789 O=C(NC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(NC(=O)OC4=C5C=CC=CC5=CC=C4)C=C1)OC6=C7C=CC=CC7=CC=C6~   18.967
30790 OC(=O)C1=CC2=C(C=CC=C2)C(=C1O)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=NC5=C6C=CC=CC6=CC(=C5O)C(O)=O)S(O)(=O)=O)S(O)(=O)=O~   34.876
30792 OS(=O)(=O)C1=C2C=CC=C(N=NC3=C4C=CC=CC4=C(C=C3)N=NC5=C6C=CC=C(C6=C(NC7=CC=CC=C7)C=C5)S(O)(=O)=O)C2=CC=C1~   26.799
30793 NC1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=C5C=C(C=CC5=C(C=C4)N=NC6=C(O)C7=C(C=CC=C7)C(=C6)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O~   39.418
30795 CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=NC4=CC=C(C=C4)N=C5C6=CC=CC=C6C7=C5C=C(NC(C)=O)C=C7~   17.529
30796 O1C2=CC(=C3C=CC=CC3=C2OC1(C4=CC=CC=C4)C5=CC=CC=C5)C(C6=CC=CC=C6)C7=CC=CC=C7~   10.544
30797 NC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)C(=O)NC3=CC4=CC(=C(N=NC5=CC=C(C=C5)N=NC6=CC=C(C=C6)S(O)(=O)=O)C(=C4C=C3)O)S(O)(=O)=O~   38.592
30798 COC1=CC(=CC=C1NC(=O)C2=CC3=C(C=CC=C3)C=C2O)C4=CC=C(NC(=O)C5=CC6=C(C=CC=C6)C=C5O)C(=C4)OC~   19.714
30799 C1CCC2=C(C1)C=CC=C2[CH](C3=CC=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6~    6.499
30801 C[CH](N([CH](C)C1=C2C=CC=CC2=CC=C1O)[CH](C)C3=C4C=CC=CC4=CC=C3O)C5=C6C=CC=CC6=CC=C5O~   22.327
30802 COC1=CC(=CC=C1N=N[CH](C(C)=O)C(=O)NC2=C(C)C=CC=C2)C3=CC=C(N=N[CH](C(C)=O)C(=O)NC4=C(C)C=CC=C4)C(=C3)OC~   24.380
30803 CN1C[CH](C2=CC=CC=C2)[C](O)([CH](C1)C3=CC=CC=C3)[C]4(CN(C)C[CH](C4=O)C5=CC=CC=C5)C6=CC=CC=C6~   19.818
30804 COC(=O)CCC1=C2NC(=C1C)C=C3N=C(C=C4NC(=CC5=NC(=C2)C(=C5C)CCC(=O)OC)C(=C4C=C)C)C(=C3C=C)C~   15.088
30805 COC(=O)CCC1=C2NC(=C1C)C=C3N=C(C=C4NC(=CC5=NC(=C2)C(=C5C)CCC(=O)OC)C(=C4C(C)=O)C)C(=C3C(C)=O)C~   22.037
30806 O=C1[CH](CCC[CH]1CN(CC2=CC=CC=C2)CC3=CC=CC=C3)CN(CC4=CC=CC=C4)CC5=CC=CC=C5~   15.026
30807 COC(=O)CCC1=C2NC(=C1C)C=C3N=C(C=C4NC(=CC5=NC(=C2)C(=C5C)CCC(=O)OC)C(=C4C(C)=NO)C)C(=C3C(C)=NO)C~   23.096
30809 C[N+](C)(CCCCCC[N+](C)(C)C1C2=C(C=CC=C2)C3=CC=CC=C13)C4C5=C(C=CC=C5)C6=CC=CC=C46~   22.699
30810 C1CC[CH]2[CH](C1)[N+](CC[N+]2(CC3=CC=CC=C3)CC4=CC=CC=C4)(CC5=CC=CC=C5)CC6=CC=CC=C6~   22.493
30813 CC(CC=C(C1=CC=CC=C1)C2=CC=CC=C2)C3CCC4C5CCC6CC7CCC6(C)C5(O7)C(=O)CC34C~    8.429
30814 C[CH](CCC(C1=CC=CC=C1)C2=CC=CC=C2)[CH]3CC[CH]4[CH]5CC[CH]6C[CH](O)CC[C]6(C)C5=CC[C]34C~    6.332
30815 C[CH](CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(N)C=C2)[CH]3CC[CH]4[CH]5CC[CH]6C[CH](O)CC[C]6(C)[CH]5C[CH](O)[C]34C~   20.585
30816 COC1=CC=C(C=C1OC)C(=O)O[CH]2CC[C]3(C)[CH]4CC[CH]5[C]6(O)C[CH](O)[C]7(O)[CH](CN8C[CH](C)CC[CH]8[C]7(C)O)[C]6(O)C[C]35O[C]24O~   24.333
30817 C[CH]1O[CH](O[CH]2CC[C]3(C)[CH]4CC[C]5(C)[CH](CC[C]5(O)[CH]4CCC3=C2)C6=COC(=O)C=C6)[CH](O)[CH](O[CH]7O[CH](CO)[CH](O)[CH](O)[CH]7O)[CH]1O~   23.220
30818 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)[N+]5=CC6=CC=CC=C6C=C5~    9.040
30819 OC1=C(CN2CCCCC2)C=C(C=C1CN3CCCCC3)S(=O)(=O)C4=CC(=C(O)C(=C4)CN5CCCCC5)CN6CCCCC6~   27.562
30821 CO[CH]1C[CH](O[CH](C)[CH]1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)O[CH]3CC[C]4(C=O)[CH]5CC[C]6(C)[CH](CC[C]6(O)[CH]5CC[C]4(O)C3)C7=CC(=O)OC7~   27.695
30822 CCCCCCCCN(CCCCCCCC)C[CH](O)C1=CC(=C2C=CC3=C(C=CC(=C3)C(C)C)C2=C1)C~    9.810
30823 CC(C)(C)C1=CC(=C(O)C(=C1)CN(CCO)CC2=C(O)C(=CC(=C2)C(C)(C)C)C3CCCCC3)C4CCCCC4~   17.474
30824 CCCCCCCCCCCC(=O)NC1=CC=C(SSC2=CC=C(NC(=O)CCCCCCCCCCC)C=C2)C=C1~   10.536
30825 CCCCCC[CH]1C=C[CH](CCCCCCCC(O)=O)[CH](C=CCCCCCCCC(O)=O)[CH]1CCCCCC~    7.796
30827 CCCCCCCCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCCCCCCCC~    0.107
30828 CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCC=CCCCCCCCC~    3.606
30829 CCCCCCCCCCCCCCCCNC(=O)OCCOC(=O)NCCCCCCCCCCCCCCCC~    5.975
30830 CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCO~   20.570
30831 CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC~   -0.121
30832 CCCCCCCCCCCCCCCCCCOOCCCCCCCCCCCCCCCCCC~   -0.522
30833 CCCCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCCCC~   -0.267
30834 CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC~    0.377
30836 CC1=C2C=CC=CC2=C(C=C1)[CH](C3=CC=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6~    7.442
30837 OS(=O)(=O)C1=CC=C(NC2C=CC(C=C2)=C(C3=CC=C(NC4=CC=C(C=C4)S(O)(=O)=O)C=C3)C5=CC=C(NC6=CC=C(C=C6)S(O)(=O)=O)C=C5)C=C1~   34.451
30838 CC1=NC2=C(C=C(NC(=O)C(CC3=CC=CC=C3)(CC4=CC=CC=C4)C(=O)NC5=CC6=C(C=C5)N=C(C)C=C6N)C=C2)C(=C1)N~   28.631
30839 CCN(CC1=CC(=CC=C1)S(O)(=O)=O)C2=CC=C(C=C2)C(=C3C=CC(C=C3)=[N+](CC)CC4=CC(=CC=C4)S(O)(=O)=O)C5=CC(=C(O)C=C5)S([O-])(=O)=O~   39.830
30842 CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C2=CC=C(C=C2)C(C3=CC=CC=C3)=C4C=CC(C=C4)=[N+](CC)CC5=CC(=CC=C5)S(O)(=O)=O~   29.516
30843 CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=C3C=CC(C=C3)=[N+](CC)CC4=CC=CC=C4)C5=C(C=C(C(=C5)O)S(O)(=O)=O)S([O-])(=O)=O~   33.499
30845 CCN(CC1=CC(=CC=C1)S(O)(=O)=O)C2=CC=C(C=C2)C(=C3C=CC(C=C3)=[N+](CC)CC4=CC(=CC=C4)S(O)(=O)=O)C5=C(C=CC=C5)S([O-])(=O)=O~   35.848
30846 CCN(CC1=CC(=CC=C1)S(O)(=O)=O)C2=CC=C(C=C2)C(=C3C=CC(C=C3)=[N+](CC)CC4=CC(=CC=C4)S(O)(=O)=O)C5=CC=C(C=C5)S([O-])(=O)=O~   35.848
30847 CN(C)C1=CC(=C(C=C1)C(C2=CC=C(C=C2)N(CC3=CC=CC=C3)CC4=CC(=CC=C4)S(O)(=O)=O)=C5C=CC(C=C5)=[N+](C)C)S([O-])(=O)=O~   31.561
30848 CCCCCCC1=CC2=C(OC(=O)C(=C2O)C(C3=CC=CC=C3)C4=C(O)C5=C(OC4=O)C=C(O)C(=C5)CCCCCC)C=C1O~   20.611
30851 C[CH]1[CH]2[CH]3CC[CH]4[C]5(C)CC[CH](OC(=O)C6=CC=CC=C6)C(C)(C)[CH]5CC[C]4(C)[C]3(C)CC[C]2(C)CC=C1C~    2.654
30853 CCCC[CH](CCCCC[CH](CCCC)[CH]1NCCC2=C1C=C(OC)C(=C2)OC)[CH]3NCCC4=C3C=C(OC)C(=C4)OC~   14.180
30854 CCCCCCCC(=O)OCCC[CH](CC[CH](CC[CH]1CCCO1)OC(=O)CCCCCCC)OC(=O)CCCCCCC~    8.622
30855 CCCCCCCCCC(=O)OCCCC(CCCOC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC~    5.312
30856 CCCCCCCCCCCCCCCCCCOC(=O)OCCCCCCCCCCCCCCCCCC~   -0.976
30857 CCCCCCCCCCCCCCCCCCNC(=S)NCCCCCCCCCCCCCCCCCC~    1.936
30858 CCCCCCCCCCCCSC(SCCCCCCCCCCCC)SCCCCCCCCCCCC~    2.987
30859 [O-][N+](=O)C1=CC=C2C(=C1)C(=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=C5C6=CC(=CC=C6C7=C5C=C(C=C7[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)C8=C2C(=CC(=C8)[N+]([O-])=O)[N+]([O-])=O~   24.384
30860 [O-][N+](=O)C1=CC2=C(C=C1)C3=CC=C(C=C3C2=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=C6C7=CC(=CC=C7C8=CC=C(C=C68)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O~   19.577
30862 C1=CC2=C(C=C1)C(=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=C5C6=C(C=CC=C6)C7=CC=CC=C57)C8=CC=CC=C28~    9.963
30865 O[C]1(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4C5=C(C=CC=C5)[C]1(O)C6=CC=C(C=C6)C7=CC=CC=C7~   13.943
30867 C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6~    7.648
30868 C1=CC=C(C=C1)[CH](C2=CC=C(C=C2)C3=CC=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6~    7.590
30869 COC1=C(C=CC(=C1)N=NC2=CC3=C(C=C(C=C3C=C2)S(O)(=O)=O)S(O)(=O)=O)N=NC4=C(C)C=C(NC(=O)C5=CC=C(NC(=O)C6=CC=CC=C6)C=C5)C=C4~   32.342
30870 C1=CC=C(C=C1)N2N=C(N=[N+]2C3=CC=C(C=C3)C4=CC=C(C=C4)[N+]5=NC(=NN5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8~   29.261
30871 O[CH](C1=CC=CC=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6~   12.048
30874 CC1=C2NC(=C1CCC(O)=O)C=C3N=C(C=C4NC(=CC5=NC(=C2)C(=C5C)[CH]6C[CH]6C(O)=O)C(=C4C)[CH]7C[CH]7C(O)=O)C(=C3CCC(O)=O)C~   30.387
30875 CCN1C=CC(=CC=C(C=CC2=C3C=CC=CC3=[N+](CC)C=C2)C4=C5C=CC=CC5=[N+](CC)C=C4)C6=C1C=CC=C6~   17.670
30879 COC1=CC2=C(C=C1OC)[CH](CC3=CC=C(OC4=C(O)C=CC(=C4)C[CH]5N(C)CCC6=C5C=C(OC)C(=C6)OC)C=C3)N(C)CC2~   21.914
30882 C[CH](CC=C(C1=CC=CC=C1)C2=CC=CC=C2)[CH]3CC[CH]4[CH]5CC[CH]6C[CH](CC[C]6(C)[CH]5CC[C]34C)OC(C)=O~    5.175
30883 CCN(CC)CCOC(=O)C1=CC=C(NC(=O)OCCCCCCCCCCOC(=O)NC2=CC=C(C=C2)C(=O)OCCN(CC)CC)C=C1~   20.134
30884 CCOC(=O)CCCCCCCCCC1=CC=C(CCC2=CC=C(CCCCCCCCCC(=O)OCC)C=C2)C=C1~    6.142
30885 CCCCCCCCCCCN(CCCCCCCCCCC)C[CH](O)C1=C2C=CC=CC2=C3CCCCC3=C1~    8.418
30886 CCCCCCCCCC(=O)OCCC[CH](CC[CH](C)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC~    5.188
30888 CCCCCCCCCCCCCCCCNC(=O)OCCOCCOC(=O)NCCCCCCCCCCCCCCCC~    7.783
30889 CCCCCCCCCCCCCCCCCCNC(=S)C(=S)NCCCCCCCCCCCCCCCCCC~    4.504
30890 CCCCCCCCCCCCCCCCNC(=S)N1CCN(CC1)C(=S)NCCCCCCCCCCCCCCCC~    6.963
30891 CN1C(=O)C=C2C3=CC=CC=C3C(=O)C4=C(NC(=O)C5=CC6=C(NC7=C8C(=O)C9=CC=CC=C9C(=O)C8=CC=C7C6=O)C=C5)C=CC1=C24~   28.173
30892 C1C2=CC=CC=C2C3=C(C=CC=C13)[CH](C4=CC=CC=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7~    7.983
30893 C1C2=CC=CC=C2C3=C1C(=CC=C3)[CH](C4=CC=CC=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7~    7.983
30894 C1=CC=C(C=C1)C(N=C=NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6~   10.054
30896 CCN(CC)C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)N(CC)CC~    9.747
30897 OC1=CC=C(C=C1)C2N(C3CCCCC3)C(N(C4CCCCC4)C(N2C5CCCCC5)C6=CC=C(O)C=C6)C7=CC=C(O)C=C7~   18.474
30898 CCCCCCCCN(CCCCCCCC)C[CH](O)C1=C2C=CC=C(C3=CC=CC=C3)C2=NC(=C1)C4=CC=CC=C4~   14.245
30900 CCCC[CH](CCCCC[CH](CCCC)[CH]1N[CH](C)CC2=C1C=C(OC)C(=C2)OC)[CH]3N[CH](C)CC4=C3C=C(OC)C(=C4)OC~   13.936
30902 CCCCCCCCCCCCCCCCCC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C~    9.236
30904 CCCCCCCCCCCCCCCCSC(SCCCCCCCCCCCCCCCC)C1=CC=CC=C1~    2.478
30905 CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC~    5.065
30906 CCCCCCCCCCCCCCCCNC(=S)NN=CCCCC=NNC(=S)NCCCCCCCCCCCCCCCC~    6.750
30907 CCCCCCCCCCCCN1CN(CCCCCCCCCCCC)CN(CCCCCCCCCCCC)C1~   -0.033
30908 CC1=C(C=CC(=C1)C2=CC=C(N=C3C4=C(C=CC=C4)C5=CC=CC=C35)C(=C2)C)N=C6C7=C(C=CC=C7)C8=CC=CC=C68~    9.876
30910 C1CCC2=C3C=CC=CC3=C(C=C2C1)[CH](C4=CC=CC=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7~    7.509
30911 COC1=C(C=CC(=C1)C2=CC=C(C(=C2)OC)[N+]3=NC(=NN3C4=CC=CC=C4)C5=CC=CC=C5)[N+]6=NC(=NN6C7=CC=CC=C7)C8=CC=CC=C8~   31.717
30912 CC1=C(C=CC(=C1)[C](O)(C2=CC=CC=C2)[C](O)(C3=CC=CC=C3)C4=CC(=C(C=C4)C5=CC=CC=C5)C)C6=CC=CC=C6~   13.399
30913 C1CN=C(N1)C2=CC=C(C=C2)N=C(NCC3=CC=CC=C3)C4=CC(=CC=C4)C(NCC5=CC=CC=C5)=NC6=CC=C(C=C6)C7=NCCN7~   25.504
30914 CC(C)C1=C(O)C(=C(C=NCC2=CC=CO2)C3=C1C=C(C)C(=C3O)C4=C(O)C5=C(C=NCC6=COC=C6)C(=C(O)C(=C5C=C4C)C(C)C)O)O~   33.102
30915 O[CH]1[CH](CN=CC2=C(O)C=CC=C2)O[CH](O[CH]3[CH](O)[CH](O)[CH](C[CH]3N=CC4=C(O)C=CC=C4)N=CC5=C(O)C=CC=C5)[CH](N=CC6=C(O)C=CC=C6)[CH]1O~   38.575
30918 O=C1CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(NC(=O)CN5CCN(CC5)CC(=O)NC6=CC=C(C=C6)S(=O)(=O)C7=CC=C(N1)C=C7)C=C4~   41.600
30922 COC1=C2OC3=C(OC)C=C4CC[N+](C)(C)[CH](CC5=CC=C(OC6=C(OC)C(=CC7=C6[CH](CC(=C2)C=C1)[N+](C)(C)CC7)OC)C=C5)C4=C3~   27.712
30923 COC(=O)[CH]1[CH](O)[CH](C)[CH](O)[CH](C)C=CC=C(C)C(=O)NC2=C(C)C(=C3C(=C2O)C(=O)C(=C4OCOC(=C34)C(=C[C](C)(O)[CH](O)[CH](C)[CH]1O)C)C)OC(C)=O~   27.330
30924 CCCCCN=CC1=C2C(=C(C(=CC2=C(C(C)C)C(=C1O)O)C)C3=C(O)C4=C(C=C3C)C(=C(O)C(=C4C=NCCCCC)O)C(C)C)O~   29.928
30925 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)C5=CC=C(C=C5)N=NC6=CC=CC=C6~    5.231
30928 CC[CH](C=C[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)NC5=C6C=CC=CC6=CC=C5)C(C)C~    6.688
30929 CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=NN=CC=C(C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C~   -0.041
30931 CCCCCCCCC1=CC(=CC(=C1)CNC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(N)C=C3)O[CH](O)OCOCOCOCOCOCOCOCOCCCC~   35.334
30932 CCCCCCCCCC[CH](CCC1=CC=CC=C1)CSC[CH](CCCCCCCCCC)CCC2=CC=CC=C2~    2.092
30933 CC1=CC=C(C=C1CSSSSCC2=C(C)C=CC(=C2)C(C)(C)CC(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)CC(C)(C)C~    1.848
30934 CCCCCCCCCCCCN(CCCCCCCCCCCC)C[CH](O)C1=C2C=CC=CC2=C3CCCCC3=C1~    8.171
30935 CCCCCCCCC=CCCCCCCCC(=O)OCC=CCOC(=O)CCCCCCCC=CCCCCCCCC~    2.240
30936 CCCCCCCCCCCCCCCCNC(=S)NC(=O)CCCCC(=O)NC(=S)NCCCCCCCCCCCCCCCC~    9.506
30939 O=C(OC[CH](OC(=O)C1=CC=CC=C1)[CH]2O[CH](OC(=O)C3=CC=CC=C3)[CH](OC(=O)C4=CC=CC=C4)[CH]2OC(=O)C5=CC=CC=C5)C6=CC=CC=C6~   20.461
30940 O=C(NC1=CC=C(CC2=CC=C(NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=C2)C=C1)C(C5=CC=CC=C5)C6=CC=CC=C6~   16.373
30942 O[CH](COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6~   15.745
30945 CC(=O)O[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](CC[C]4(C)[CH]3CC[CH]2C1(C)C)C(C)=CC=C(C5=CC=CC=C5)C6=CC=CC=C6~    4.879
30946 CCCCCCCCCCCCN1C(SC2=C1C=CC=C2)=CC=CC3=[N+](CCCCCCCCCCCC)C4=CC=CC=C4S3~   10.013
30948 CC[CH](C)C(=O)O[CH]1[CH](O)[CH]2[CH](CN3C[CH](C)CC[CH]3[C]2(C)O)[CH]4C[C]56O[C]7(O)[CH](CC[C]5(C)[CH]7[CH](OC(C)=O)[CH](OC(C)=O)[CH]6[C]14O)OC(=O)[C](C)(O)CC~   23.238
30949 CC[CH](C)C(=O)O[CH]1[CH](O)[CH]2[CH](CN3C[CH](C)CC[CH]3[C]2(C)O)[CH]4C[C]56O[C]7(O)[CH](CC[C]5(C)[CH]7[CH](OC(C)=O)[CH](OC(C)=O)[CH]6[C]14O)OC(=O)[C](C)(O)[CH](C)O~   24.676
30951 CCCCCCCCCCCCCCCCNC(=O)NC1=CC=C(C)C(=C1)NC(=O)NCCCCCCCCCCCCCCCC~   15.907
30952 OC(=O)C1=CC=C2C(=O)C3=CC=CC=C3C(=O)C2=C1NC4=CC=C(C=C4)C5=CC=C(NC6=C(C=CC7=C6C(=O)C8=CC=CC=C8C7=O)C(O)=O)C=C5~   32.654
30954 O=C(NC1=C2C(=O)C3=CC=CC(=C3C(=O)C2=CC=C1)NC4=C5C(=O)C6=CC=CC=C6C(=O)C5=C(NC(=O)C7=CC=CC=C7)C=C4)C8=CC=CC=C8~   28.526
30955 O=C(NC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(NC4=CC5=C(C(=O)C6=CC=CC=C6C5=O)C(=C4)NC(=O)C7=CC=CC=C7)C=C1)C8=CC=CC=C8~   28.526
30956 O=C(NC1=C2C(=O)C3=C(C=C(NC4=C5C(=O)C6=CC=CC(=C6C(=O)C5=CC=C4)NC(=O)C7=CC=CC=C7)C=C3)C(=O)C2=CC=C1)C8=CC=CC=C8~   28.526
30957 C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C4)C5=C2C(=C6C=CC=CC6=C5C7=CC=CC=C7)C8=CC=CC=C8~    9.759
30959 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=CC(=C3)C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=CC=C7~    8.959
30960 O=C(OC1C(OC(=O)C2=CC=CN=C2)C(OC(=O)C3=CC=CN=C3)C(OC(=O)C4=CC=CN=C4)C(OC(=O)C5=CC=CN=C5)C1OC(=O)C6=CC=CN=C6)C7=CC=CN=C7~   38.132
30962 O=C(C(=O)C1=CC=C(OCC2=CC=CC=C2)C(=C1)OCC3=CC=CC=C3)C4=CC(=C(OCC5=CC=CC=C5)C=C4)OCC6=CC=CC=C6~   17.396
30963 COC1=CC=C(C=C1)C=N[CH]2[CH](O[CH](COC(=O)C3=CC=CC=C3)[CH](OC(=O)C4=CC=CC=C4)[CH]2OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6~   20.636
30964 O=C(O[CH]1CO[CH](O[CH]1[CH](OC(=O)C2=CC=CC=C2)[CH]3O[CH](OC[CH]3OC(=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7~   20.544
30965 CC1=CC=C(NC(=NNC(=NC2=CC=C(C)C=C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(C5=CC=CC=C5)C6=CC=CC=C6)C=C1~   14.759
30966 CCN(CC)CCN(C(=O)OCCOC(=O)N(CCN(CC)CC)C1=C2C(=O)C3=CC=CC=C3SC2=CC=C1)C4=C5C(=O)C6=CC=CC=C6SC5=CC=C4~   24.155
30967 COC(=O)CCC1=C2NC(=C1C)C=C3N=C(C=C4NC(=CC5=NC(=C2)C(=C5C)CCC(=O)OC)C(=C4[CH]6C[CH]6C(=O)OC)C)C(=C3[CH]7C[CH]7C(=O)OC)C~   20.367
30969 CC(C)C1=C2C=C(C)C(=C(O)C2=C(C=NC3CCCCC3)C(=C1O)O)C4=C(O)C5=C(C=C4C)C(=C(O)C(=C5C=NC6CCCCC6)O)C(C)C~   30.395
30970 CC[C]1(O)C[CH](O[CH]2C[CH]([CH](O[CH]3C[CH](O)[CH](O[CH]4CCC(=O)[CH](C)O4)[CH](C)O3)[CH](C)O2)N(C)C)C5=C(C=C6C(=O)C7=C(O)C=CC(=C7C(=O)C6=C5O)O)[CH]1C(=O)OC~   36.674
30971 COC(=O)[CH]1[CH](O)[CH](C)[CH](O)[C](C)(O)C=CC=C(C)C(=O)NC2=C(C)C(=C3C(=C2O)C(=O)C(=C4OCOC(=C34)C(=C[C](C)(O)[CH](O)[CH](C)[CH]1OC(C)=O)C)C)OC(C)=O~   29.955
30972 CCCCCCN=CC1=C2C(=C(C(=CC2=C(C(C)C)C(=C1O)O)C)C3=C(O)C4=C(C=C3C)C(=C(O)C(=C4C=NCCCCCC)O)C(C)C)O~   29.684
30973 CCN(CC)CCN=CC1=C2C(=C(C(=CC2=C(C(C)C)C(=C1O)O)C)C3=C(O)C4=C(C=C3C)C(=C(O)C(=C4C=NCCN(CC)CC)O)C(C)C)O~   36.785
30975 CC1(C)[CH](CC[C]2(C)[CH]1CC[C]3(C)[CH]2C(=O)C=C4[CH]5C[C](C)(CC[C]5(C)CC[C]34C)C(O)=O)O[CH]6O[CH]([CH](O)[CH](O)[CH]6O[CH]7O[CH]([CH](O)[CH](O)[CH]7O)C(O)=O)C(O)=O~   34.910
30976 CO[CH]1C[CH](O[CH](C)[CH]1O[CH]2O[CH](CO[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH](O)[CH](O)[CH]2O)O[CH]4CC[C]5(C=O)[CH]6CC[C]7(C)[CH](CC[C]7(O)[CH]6CC[C]5(O)C4)C8=CC(=O)OC8~   35.733
30978 CCCCCCCCCCCCCCCCN=C1C=CC(=NCCCCCCCCCCCCCCCC)C2=C1C=CC=C2~    1.020
30979 CCCCCCCCCCCCCCCCN=C1C=CC2=C(C=CC=C2)C1=NCCCCCCCCCCCCCCCC~    1.348
30980 CC(C)CCCCCCCCCCCSCNC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NCSCCCCCCCCCCCC(C)C)C=C2~    8.228
30981 CC[CH]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC)[CH](OC(=O)CCCC(O)=O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH](C)C[CH]([CH]3O)N(C)C)[C](C)(O)C[CH](C)C(=O)[CH](C)[CH](O)[C]1(C)O~   34.335
30982 CCCCCCCCC=CCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCC=CCCCCCCCC~    6.445
30984 CCCCCCCCCCCCCCCC[N+]1(C)CCN(CC1)SN2CC[N+](C)(CCCCCCCCCCCCCCCC)CC2~   19.046
30985 O=C(NC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C4NC5=CC=C6C(=O)C7=CC=CC=C7C(=O)C6=C5SC4=C1)C8=C9SN=C%10C%11=C(C=CC=C%11)C(=O)C(=C9%10)C=C8~   31.588
30986 O=C([CH]([CH](C(C(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6~   15.670
30987 CC=C[CH]1O[C]1(C)C2=CC(=O)C3=C(O2)C4=C(C=C3C)C(=O)C5=C(C=C([CH]6C[C](C)([CH](OC(C)=O)[CH](C)O6)N(C)C)C(=C5C4=O)O)[CH]7C[CH]([CH](O)[CH](C)O7)N(C)C~   33.269
30988 CCCCCCCCCCCCCCCCCC(=O)NC1=C(NC(=O)CCCCCCCCCCCCCCCCC)C=C(C)C=C1~    6.971
30989 CCCCCCCCCC(=O)OCCC[CH](CC[CH](CC[CH]1CCCO1)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC~    7.883
30990 CCCCCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCCCC)C(=O)[CH](C)OC(=O)CCCCCCCCCCC~   10.228
30991 CCCCCCCCCCCCCCCCCCNC(=S)NN=CCCCC=NNC(=S)NCCCCCCCCCCCCCCCCCC~    6.256
30992 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC~   -0.167
30993 CCCCCCCCCCN(CCCCCCCCCC)CC(O)CN(CCCCCCCCCC)CCCCCCCCCC~    7.503
30995 C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C4=CC=CC=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7~    8.703
30996 OS(=O)(=O)C1=C(C=CC(=C1)NC2=NC(=NC(=N2)NC3=CC=CC=C3)NC4=CC=CC=C4)C=CC5=C(C=C(NC6=NC(=NC(=N6)NC7=CC=CC=C7)NC8=CC=CC=C8)C=C5)S(O)(=O)=O~   42.577
30999 CCOC(=O)[CH]1C[CH]1C2=C(C)C3=CC4=NC(=CC5=C(CCC(=O)OC)C(=C(N5)C=C6N=C(C=C2N3)C(=C6[CH]7C[CH]7C(=O)OCC)C)C)C(=C4C)CCC(=O)OC~   20.120
31000 CCCCN(CCCC)CC[C](O)(C1=C2C=CC=CC2=C(OC)C=C1)[C](O)(CCN(CCCC)CCCC)C3=C4C=CC=CC4=C(OC)C=C3~   18.187
31001 CCCCCCCCCCCCC1=CC=C(CO[CH]2CO[CH]3[CH](CO[CH]23)OCC4=CC=C(CCCCCCCCCCCC)C=C4)C=C1~    9.495
31002 CC[CH]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC)[CH](OC(=O)C3=C(C=CC=C3)S(O)(=O)=O)[CH](C)O2)[CH](C)[CH](O[CH]4O[CH](C)C[CH]([CH]4O)N(C)C)[C](C)(O)C[CH](C)C(=O)[CH](C)[CH](O)[C]1(C)O~   36.487
31003 CCCCCCCCCCCCOCCNCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NC(=O)CNCCOCCCCCCCCCCCC)C=C2~   20.886
31004 CCCCCCCCCCCCCCCCNC(=S)NN=C1C=C(C(C)C)C(C=C1C)=NNC(=S)NCCCCCCCCCCCCCCCC~    6.457
31005 OC1=C(C=C(C=C1C(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(C6=CC=CC=C6)C7=CC=CC=C7~   12.680
31006 C1CN1C(=NC2=CC=C(CC3=CC=C(C=C3)N=C(C(C4=CC=CC=C4)C5=CC=CC=C5)N6CC6)C=C2)C(C7=CC=CC=C7)C8=CC=CC=C8~   16.056
31008 COC1=C(O)C(=C2[CH](CC(C)C)N(C)CCC2=C1)OC3=C(OC)C=C4CCN(C)[CH](CC(C)C)C4=C3OC5=C(OC)C=C6CCN(C)[CH](CC(C)C)C6=C5~   22.503
31010 CCCCCC=CCC=CCCCCCCCC(=O)O[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](CC[CH]4[CH]3CC=C2C1)[CH](C)CCCC(C)C~    0.106
31011 CCCCCCCCC=CCCCCCCCC(=O)O[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](CC[CH]4[CH]3CC=C2C1)[CH](C)CCCC(C)C~    0.050
31012 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC~    4.327
31013 O=C1OC[CH]2[CH]1CC3=C(C=C(OC(=O)C4=CC=CC=C4)C(=C3)OC(=O)C5=CC=CC=C5)[CH]2C6=CC=C(OC(=O)C7=CC=CC=C7)C(=C6)OC(=O)C8=CC=CC=C8~   16.857
31014 CC(C)C1=C2C=C(C)C(=C(O)C2=C(C=NCCC3=CC=CC=C3)C(=C1O)O)C4=C(O)C5=C(C=C4C)C(=C(O)C(=C5C=NCCC6=CC=CC=C6)O)C(C)C~   32.854
31016 CCOC(=O)CCC1=C2NC(=C1C)C=C3N=C(C=C4NC(=CC5=NC(=C2)C(=C5C)CCC(=O)OCC)C(=C4[CH]6C[CH]6C(=O)OCC)C)C(=C3[CH]7C[CH]7C(=O)OCC)C~   19.873
31017 CCCCCCCCN=CC1=C2C(=C(C(=CC2=C(C(C)C)C(=C1O)O)C)C3=C(O)C4=C(C=C3C)C(=C(O)C(=C4C=NCCCCCCCC)O)C(C)C)O~   29.192
31018 CCCC[CH](CC)CN=CC1=C2C(=C(C(=CC2=C(C(C)C)C(=C1O)O)C)C3=C(O)C4=C(C=C3C)C(=C(O)C(=C4C=NC[CH](CC)CCCC)O)C(C)C)O~   29.192
31020 CC[N+]1(CCCCC[N+]2(CC)CCC[CH](C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)CCC[CH](C1)OC(=O)C(C5=CC=CC=C5)C6=CC=CC=C6~   26.879
31022 CCCCCCCCCCCCCCCCNC(=O)NC1=CC=C(CC2=CC=C(NC(=O)NCCCCCCCCCCCCCCCC)C=C2)C=C1~   17.000
31023 O[CH]1[CH](COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O[CH]([CH]1O)N5C=NC6=C(SC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)N=CN=C56~   25.500
31026 O=C(NCCCCC[N+](CCCCCNC(=O)C1=CC=CC=C1)(CCCCCNC(=O)C2=CC=CC=C2)CCCCCNC(=O)C3=CC=CC=C3)C4=CC=CC=C4~   36.132
31027 C[CH]1C[CH]([CH]2CC[C]3(C)[CH]4CC[CH]5[C](C)(CO)[CH](O)[CH](O)C[C]5(C)[C]4(C)CC=C3[CH]2[CH]1C)C(=O)O[CH]6O[CH](CO[CH]7O[CH](CO)[CH](O[CH]8O[CH](C)[CH](O)[CH](O)[CH]8O)[CH](O)[CH]7O)[CH](O)[CH](O)[CH]6O~   31.764
31028 CCCCCCCCCCCCCCCCNC(=O)NC1=CC(=C(C=C1)C2=CC=C(NC(=O)NCCCCCCCCCCCCCCCC)C(=C2)OC)OC~   19.520
31029 C[CH]1O[CH](C[CH](O)[CH]1O[CH]2C[CH](O)[CH](O[CH]3C[CH](OC(C)=O)[CH](O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](C)O3)[CH](C)O2)O[CH]5CC[C]6(C)[CH](CC[CH]7[CH]6CC[C]8(C)[CH](CC[C]78O)C9=CC(=O)OC9)C5~   34.119
31030 C[CH]1O[CH](C[CH](O)[CH]1O[CH]2C[CH](O)[CH](O[CH]3C[CH](OC(C)=O)[CH](O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](C)O3)[CH](C)O2)O[CH]5CC[C]6(C)[CH](CC[CH]7[CH]6C[CH](O)[C]8(C)[CH](CC[C]78O)C9=CC(=O)OC9)C5~   35.556
31032 C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C4=CC=CC=C4)=C(C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC=C(C=C7)C8=CC=CC=C8~   11.064
31033 COC1=C(NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=C(C=C4OC)C5=CC(=C(C=C5)N=NC6=C7C=CC=CC7=CC(=C6O)C(=O)NC8=C(OC)C=CC=C8)OC)C=CC=C1~   27.298
31034 CCCCCCCCCCN=CC1=C2C(=C(C(=CC2=C(CCC)C(=C1O)O)C)C3=C(O)C4=C(C=NCCCCCCCCCC)C(=C(O)C(=C4C=C3C)CCC)O)O~   28.699
31035 C[CH]1CC[C]2(NC1)O[CH]3C[CH]4[CH]5CC[CH]6C[CH](CC[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C)O[CH]7O[CH](CO)[CH](O[CH]8O[CH](CO)[CH](O)[CH](O[CH]9OC[CH](O)[CH](O)[CH]9O)[CH]8O[CH]%10O[CH](CO)[CH](O)[CH](O)[CH]%10O)[CH](O)[CH]7O~   40.064
31039 CC(=O)O[CH](COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)[CH](OC(C)=O)[CH](OC(C)=O)[CH](COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)OC(C)=O~   21.432
31040 CO[CH]([CH]1CC2=C(C(=C3C(=C(C)C(=CC3=C2)O[CH]4C[CH](O[CH]5C[CH](O)[CH](O)[CH](C)O5)[CH](O)[CH](C)O4)O)O)C(=O)[CH]1O[CH]6C[CH](O[CH]7C[CH](O[CH]8C[C](C)(O)[CH](O)[CH](C)O8)[CH](O)[CH](C)O7)[CH](O)[CH](C)O6)C(=O)[CH](O)[CH](C)O~   44.377
31041 CC(C)C1=C2C=C(C)C(=C(O)C2=C(C=NC3=CC=C(C=C3)N=NC4=CC=CC=C4)C(=C1O)O)C5=C(O)C6=C(C=C5C)C(=C(O)C(=C6C=NC7=CC=C(C=C7)N=NC8=CC=CC=C8)O)C(C)C~   37.242
31042 CCCCCCCCCCCCN=CC1=C2C(=C(C(=CC2=C(C(C)C)C(=C1O)O)C)C3=C(O)C4=C(C=NCCCCCCCCCCCC)C(=C(O)C(=C4C=C3C)C(C)C)O)O~   28.207
31045 CCC1=C(C)C2=CC3=C(C=C)C(=C(N3)C=C4N=C([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)[CH]4C)C5=C6N=C(C=C1N2)C(=C6C(=O)[CH]5C(=O)OC)C)C~   16.730
31048 CCCCCCCCCCCCCCCCOC(=O)[CH](CCSC)NCNC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NCN[CH](CCSC)C(=O)OCCCCCCCCCCCCCCCC)C=C2~   17.523
31050 CCCC[CH](CC)CN(C[CH](CC)CCCC)CC1=CC(=C(O)C(=C1)CN(C[CH](CC)CCCC)C[CH](CC)CCCC)CN(C[CH](CC)CCCC)C[CH](CC)CCCC~   10.870
31051 CCCCCCCCCCCCCCCCCC(=O)OCC1(COC(=O)CCCCCCCCCCCCCCCCC)COC(=N1)CCCCCCCCCCCCCCCCC~    3.572
31055 CCCCCCCCCCCCCCN=CC1=C2C(=C(C(=CC2=C(C(C)C)C(=C1O)O)C)C3=C(O)C4=C(C=NCCCCCCCCCCCCCC)C(=C(O)C(=C4C=C3C)C(C)C)O)O~   27.714
31059 C[CH](CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NC(=O)CC[CH](C)[CH]3CC[CH]4[CH]5CC[CH]6C[CH](O)CC[C]6(C)[CH]5C[CH](O)[C]34C)C=C2)[CH]7CC[CH]8[CH]9CC[CH]%10C[CH](O)CC[C]%10(C)[CH]9C[CH](O)[C]78C~   21.463
31062 CCCCCCCCC=CCCCCCCCCN=CC1=C2C(=C(C(=CC2=C(C(C)C)C(=C1O)O)C)C3=C(O)C4=C(C=NCCCCCCCCC=CCCCCCCCC)C(=C(O)C(=C4C=C3C)C(C)C)O)O~   26.842
31066 CCCCCCCCCCCCCCCCCC(=O)OC1C(OC(=O)CCCCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCCCCCC~    4.801
