1896
*15 ONC=N    9.342
*30 NC(S(O)(=O)=O)S(O)(=O)=O   15.983
*34 NNC(N)=S    9.180
*40 NNC(NN)=NN   17.770
*57 C=NN=C    2.228
*83 OS(=O)(=O)C=C    7.452
*99 NOCC(O)=O    9.932
*120 CNC(N)=S    6.460
*128 NNC(=S)SSC(=S)NN   10.697
*149 OS(=O)(=O)CCS(O)(=O)=O   14.544
*154 CCN    4.996
*160 CNOC    5.313
*162 NCCOS(O)(=O)=O   11.955
*164 NCCS    6.447
*195 O=C1CSC(=O)N1    5.879
*234 O=C1OCCS1    4.012
*272 NCCC#N    8.380
*295 CC=NC(N)=S    3.873
*306 CCC=O    4.045
*323 C1OCOCO1    6.706
*325 C[CH](O)C(O)=O    6.947
*355 N[CH](CS)C(O)=O   10.276
*376 CCN(N=O)C(N)=O    9.879
*383 CCC(=O)NN   10.208
*396 ON(O)NC1=NCCN1   18.079
*425 CCNC    4.656
*439 C1CNCCN1    8.658
*441 CCN(CC)N=O    5.440
*460 ONC(=N)CCC(=N)NO   17.181
*473 CC(C)(C)O    5.000
*508 CC(CS)CS    3.664
*545 CNCCNC    8.302
*553 CN(C)N=NN(C)C    7.708
*563 N#CC=CC#N    6.513
*570 OC1=NC(=C2N=NOC2=N1)O   16.879
*579 OC(=O)C1=NC(=NC(=N1)O)O   18.580
*581 O=NC1C(=O)NC(=O)NC1=O   14.151
*596 OC1=CC(=NC=N1)S    8.939
*603 OC1=CC(=NC=N1)O   13.500
*661 O=C1CSCC(=O)N1    9.690
*666 ON=C1CCOC1=O    6.910
*681 CC1=C(O)N=C(S)N=N1    9.289
*704 NC1=NC(=NC=C1)S    8.410
*732 ON1C(=O)CCNC1=O   11.851
*733 CC(C)(O[N+]([O-])=O)C#N    6.839
*753 O=C1NC2NC(=O)NC2N1   15.411
*764 NNC1=C(C(=NC=N1)N)[N+]([O-])=O   14.541
*774 OC(=O)C1CC1    6.371
*777 C=CCOC=O    3.502
*790 C=CS(=O)(=O)C=C    4.309
*821 S=C1SCCCS1    5.503
*832 O=C1CCNC1    7.007
*849 CC(=O)NCC(O)=O   11.439
*860 CC(=NNC(N)=O)C(O)=O   12.717
*946 C[CH](O)C(C)=O    4.987
*995 CCCC[N+]([O-])=O    4.007
*1001 CCOC(=O)NC    6.939
*1006 CC[CH](C)[N+]([O-])=O    4.007
*1013 CSC[CH](N)C(O)=O   10.799
*1014 CS(=O)(=O)N1CCC1    5.225
*1030 N[CH](CCO)C(O)=O   13.140
*1032 NC[CH](O)CC(O)=O   14.440
*1039 OCC(CO)(CO)[N+]([O-])=O   11.317
*1045 CN1CSCSC1    3.520
*1047 CN1CNC(=O)NC1    7.538
*1048 OC1CNC(=N)NC1   14.618
*1058 CC(C)N1N=NNC1=N    9.804
*1069 OCCN1CCNC1=S   10.446
*1138 CCOC(=O)CCS    4.959
*1139 CO[CH](C)CC(O)=O    7.947
*1201 CNC(=O)OC(C)C    6.815
*1218 CO[CH](C)[CH](N)C(O)=O   10.635
*1226 C[CH](O)C(C)(C)[N+]([O-])=O    8.321
*1231 OCCNCCC(O)=O   14.099
*1233 CN(C)[CH](CO)C(O)=O   12.580
*1248 NCCN1CCNC1=O   12.633
*1253 OCCN1CNC(=O)NC1   11.851
*1302 OCC(CS)(CS)CS    9.427
*1323 CCS(=O)(=O)CS(=O)(=O)CC    9.031
*1376 N#CC1=CC=CO1    4.285
*1406 ON=CC1=CC=C(O1)[N+]([O-])=O    8.851
*1421 OC1=C2C=NNC2=NC(=N1)S   13.116
*1441 OS(=O)(=O)C1=NC(=C2NC(=O)NC2=N1)S   16.728
*1453 NC1=C2NC(=S)SC2=NC=N1   10.044
*1456 NC1=C2N=C(NC2=NC=N1)[N+]#N   14.138
*1460 OC(=O)C1=CC=CS1    7.230
*1470 OC1=CC=CN=C1    9.134
*1484 OCN1C(=O)C=CC1=O   10.996
*1491 OS(=O)(=O)C1=CC=[N+]([O-])C=C1   16.483
*1495 ON(N=O)C1=CC=CC=N1   11.240
*1519 NC1=NC(=C2C=NNC2=N1)O   13.593
*1524 NC1=C2C=NNC2=NC(=N1)O   17.144
*1530 NC1=C2C=NNC2=NC(=N1)S   12.585
*1532 SC1=C2NC(=N)NC2=NC=N1   13.180
*1566 NNC(=O)C1=CC=CO1   11.035
*1578 OCN1NC(=O)C=CC1=O   13.373
*1625 NC1=NC(=C2NC(=S)NC2=N1)N   13.281
*1689 CC1=CC(=NC(=N1)O)N   12.928
*1717 N#CCCN1CC1    8.052
*1722 N#CN1CCCC1    3.907
*1735 CN1CCC(=O)NC1=O    9.640
*1736 NC(=O)CC(=C)C(N)=O   11.654
*1763 CN1C=NC(=C1NC(N)=N)[N+]([O-])=O   15.121
*1780 CC(C)=CC(O)=O    6.149
*1833 O=CN1CCCC1    7.241
*1838 ON=C1CCSCC1    7.312
*1843 O=CN1CCOCC1    9.296
*1845 N[CH](CC=C)C(O)=O    8.708
*1848 CC[CH]1COC(=O)N1    7.171
*1859 CCOC(=O)CC(N)=O   10.451
*1860 C[CH](NC(C)=O)C(O)=O   11.315
*1861 O[CH]1CN[CH](C1)C(O)=O   13.154
*1911 C=CCN(CC=C)N=O    5.450
*1917 ON=C1CCCCC1=NO    9.315
*1932 CCNC1=C(N)C=NC=N1   11.975
*1935 NC(=O)C1=C(N)N(CCO)N=C1   18.256
*1954 CC(=O)CCC=C    4.063
*1968 CCOC(=O)C=CC    3.717
*1980 CCC=CCC(O)=O    5.824
*1993 OC(=O)C1CCOCC1    9.079
*2022 C[CH](CCC(O)=O)C(O)=O   11.021
*2028 C1COC2OCCOC2O1    8.747
*2052 OC(=O)CCS(=O)(=O)CCC(O)=O   15.216
*2062 CCCCCC#N    4.023
*2093 N[CH]1CC[CH](C1)C(O)=O   10.112
*2119 CCN(CC(O)=O)CC(O)=O   11.971
*2134 N[CH](CCCC(O)=O)C(O)=O   13.708
*2143 CC(=C)CNC(C)=S    4.536
*2150 NCC(=O)NCC(=O)NCC(O)=O   16.103
*2156 C1CCN(CC1)C2=NN=NN2    8.000
*2161 CC(C)CC=C    0.445
*2167 CCN(CC)CC#N    7.573
*2196 [O-][N+](=O)CCCCCC[N+]([O-])=O    7.003
*2200 COC(=O)NCCNC(=O)OC    9.666
*2206 CC(CC[CH](O)CO)([N+]([O-])=O)[N+]([O-])=O   12.876
*2211 CN1CCN(CC1)C(S)=S    6.947
*2227 CC(=O)C(C)(C)C    3.936
*2232 CC(C)COC=C    1.873
*2233 C[CH]1CC[CH](C)O1    3.827
*2259 CC(C)(C)CC(O)=O    5.770
*2301 CO[CH](C)CCOC=O    5.182
*2340 CC(C)CSC(C)=S    2.807
*2349 CCN(CC)C(C)=O    7.022
*2357 CC(=NO)C(C)(C)C    4.738
*2406 CCSCC[CH](N)C(O)=O   10.551
*2436 OC[CH](O)[CH](O)[CH](O)[CH](O)C=NO   14.924
*2464 C[CH]1CN[CH](C)CN1    8.411
*2467 NC1CCC(N)CC1    8.848
*2484 CC[CH](C)[CH](NN)C(O)=O   10.836
*2493 N[CH](C=NO)[CH](O)[CH](O)[CH](O)CO   17.474
*2496 CCCCCSC(N)=N    8.123
*2503 N[CH](CCCNC(N)=N)C(O)=O   17.738
*2532 C[CH](O)C[CH](C)CO    6.391
*2533 CC(C)(O)C(C)(C)O    6.391
*2540 C[CH](O)COC[CH](C)O    8.446
*2548 CS(=O)(=O)SCCCCSS(C)(=O)=O    8.530
*2556 CS(=O)(=O)OCCCCOS(C)(=O)=O    9.287
*2606 NC[CH](O)[CH](O)[CH](O)[CH](O)CO   14.690
*2640 [O-][N+](=O)C1=CC(=CC=C1)[N+]([O-])=O    7.076
*2663 OC(=O)C1=COC(=O)C=C1    8.842
*2707 OC1=C2N=CNC2=CC=N1   13.302
*2708 OC1=C2C=CNC2=NC(=N1)S   12.726
*2718 COC(=O)C1=C(C(=NC(=N1)O)O)[N+]([O-])=O   14.595
*2762 CC1=CC(=CC=[N+]1[O-])[N+]([O-])=O   12.513
*2781 NC1=CC=C(C=C1[N+]([O-])=O)S(O)(=O)=O   13.115
*2789 CC1=NC2=CN=CN=C2N1    9.660
*2799 COC1=C2N=CNC2=NC=N1    9.971
*2803 CN1N=CC2=C(O)N=C(S)N=C12   11.788
*2815 CN1C=NC2=C(O)N=C(O)N=C12   16.338
*2831 NC(=O)NN=CC1=CC=C(S1)[N+]([O-])=O   12.772
*2877 OCC1=CC=C(O1)C=O    9.267
*2912 CC1=CC=C(O)C=N1    9.092
*2931 OC(=O)CN1C=CC=C1    8.842
*2935 C=CCOC(=O)OCC#N    2.652
*2950 NC1=C(O)C=CC(=C1)S(O)(=O)=O   16.034
*2986 NC(=O)CC1=NC(=CC(=N1)O)O   20.276
*3007 CC1=NNC2=C1N=CN=C2N   13.119
*3028 CN1C(=N)NC2=C(N=CN2)C1=O   16.240
*3060 C[C]1(CCC(=O)N1)C#N   11.101
*3104 NNC1=C(C=CC=C1)S(O)(=O)=O   14.429
*3110 CCS(=O)(=O)C1=CC(=NC(=N1)O)O   15.423
*3115 N#CCCSCCC#N    9.623
*3117 CC(C)=C1NC(=S)NC1=S    5.963
*3149 CCOC1=C2N=NNC2=NC(=N1)N   10.146
*3151 CCSC1=C2N=NNC2=NC(=N1)N    9.824
*3156 OCCC1=CC=CS1    6.804
*3172 CC(=O)[CH]1CCOC1=O    7.161
*3205 CCN1C=CC=C1    3.590
*3224 CC(=O)N1CCCC1=O    7.132
*3271 CC1=NN=C(NCC=C)S1    8.757
*3287 ON(O)NC(=N)NN=CC1=CC=CO1   19.073
*3289 NNC(=S)NN=CC1=CC=CN1   12.620
*3290 CCN1N=NC2=C1N=C(N)N=C2N   12.001
*3309 C[N+]1=CC=CC(=C1)C(N)=O   16.209
*3319 CCOC(=O)C1=CNN=C1C    7.457
*3326 CC1=CC=C(C=C1)S(=O)(=O)NN    8.710
*3340 OCCCC=C1NC(=O)NC1=O   12.757
*3356 OC(=O)CN1CSC(=S)N(C1)CC(O)=O   10.203
*3375 CC(=NNC(N)=S)C1=CC=CN1   10.118
*3423 C[CH]1C[CH](C(C)=O)C(=O)O1    7.038
*3431 CCCC(=CC(O)=O)C(O)=O   11.428
*3447 C[CH](CC(O)=O)C(C(O)=O)C(O)=O   16.149
*3460 CC(C)(CCC#N)C=O    7.058
*3467 [O-][N+](=O)[CH]1C[CH]2CC[CH]1C2    4.349
*3484 CC(C)[CH]1OC(=O)N(C)C1=O    5.609
*3486 CCOC(=O)N1CCCC1=O    6.460
*3488 CC(C)NC(=O)C=CC(O)=O   12.971
*3525 C1CCC=CCC1    1.056
*3527 CCCCCC#C    1.302
*3546 COC(=O)CCNC(=O)N1CC1   11.269
*3564 CCCNC1=CC(=NC(=N1)N)S    7.724
*3565 CCSC1=CC(=NC(=N1)N)NC    8.370
*3576 CCC=COCC=C    1.804
*3586 OC(=O)C1CCCCC1    6.002
*3620 CCCCC(C(O)=O)C(O)=O   10.896
*3658 C[C](O)(CN1CC1)C=C    8.866
*3661 C[CH]1SCC(C)(C)NC1=O    9.569
*3674 C[CH]1C[CH](N[CH]1C)C(O)=O    8.471
*3696 OC(=O)CCN1CCOCC1   11.607
*3717 CCCCCCSC#N    3.742
*3718 C[CH]1CC(C)(C)SC(=S)N1    4.138
*3733 C1CCCCCC1    0.470
*3741 CN(N=O)C1CCCCC1    5.427
*3744 NC(=O)NC1CCCCC1    8.836
*3758 OCCN1CSC(=S)N(CCO)C1    8.174
*3761 COCN1CCN(COC)C1=O    9.690
*3762 CCOC(=O)CC[CH](N)C(N)=O   12.893
*3775 CCN1CSC(=S)N(CC)C1    2.300
*3793 CC[C](C)(O)C1CC1    5.187
*3794 CC(C)(C)SCCC=O    5.648
*3813 CCC(CC)OC(C)=O    3.264
*3845 C[CH](O)C(=O)OCCOCCO    7.562
*3865 CCN1CCCCC1    4.301
*3869 NC1CCCCCC1    4.738
*3872 CC1CCC(N)CC1    4.738
*3896 CCCNC(=O)CCC    7.117
*3899 CC(C)C(=NO)C(C)C    4.616
*3911 CCN(CC)C[CH](O)C=O    7.910
*3919 CC(C)NC(=O)OC(C)C    6.569
*3953 CCC(C)(C)NC(=O)NC(N)=O   11.860
*3970 CN1CCN(CCO)CC1   12.288
*3973 C[CH]1CN(CCO)CCN1   12.507
*3981 OCCN1CCN(CC1)CS(O)(=O)=O   16.385
*3988 ON(O)NC(=N)NC1CCCCC1   17.807
*4002 CC[CH](O)CC(C)C    4.631
*4004 CC[CH](C)C(C)(C)O    4.631
*4011 CCCC(C)(CO)CO    6.268
*4054 CC(=O)SCC[N+](C)(C)C   15.529
*4087 [O-][N+](=O)C1=CC=CC(=C1)N=C=O    6.037
*4108 O=C1NC2=CC=CC=C2O1    7.437
*4123 OC1=CC=C(C=C1C=O)[N+]([O-])=O    8.159
*4136 OC(=O)C=CC1=CC=C(O1)[N+]([O-])=O   10.293
*4137 OC(=O)C1=CC(=C(C=C1)[N+]([O-])=O)O    9.851
*4148 O=NN1C=NC2=CC=CC=C12    7.833
*4154 [O-][N+](=O)C1=CC2=C(C=C1)C=NN2    8.848
*4172 N#CCSC1=C2N=CNC2=NC=N1   13.030
*4174 NC1=CC=C(C=C1)C#N    7.735
*4241 NC1=NC(=C2N=CNC2=N1)SCC#N   12.932
*4249 O=CC=CC1=CC=CO1    5.796
*4267 OC(=O)C1=C(O)C=C(O)C=C1   11.830
*4281 OC(=O)C1=CC(=C(O)C(=C1)O)O   18.914
*4289 C=CC1=CC=CC=N1    5.441
*4292 CC(=O)C1=CC=CN=C1    7.893
*4319 O=NOCC1=CC=CC=C1    5.277
*4324 NC1=CC(=C(C=C1)C(O)=O)O   11.299
*4344 CC1=C(C=C(O)C=C1)[N+]([O-])=O    8.613
*4407 NC(=O)CSC1=C2N=CNC2=NC=N1   16.466
*4418 NC(=O)NC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O   15.764
*4424 NN=CC1=CC=CC=C1    6.128
*4440 NC(=O)C1=C(N)C=CC=C1   12.106
*4462 OC1=NC(=C2CCCC2=N1)O   13.648
*4482 COC(=O)C1=NC(=NC(=C1)O)SC   11.654
*4491 CNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O    8.437
*4508 CN1C=NC2=C(C=NN2C)C1=O   10.932
*4560 CSC1=NC(=C2N=C(C)NC2=N1)S    9.028
*4566 CSCSC1=C2N=CNC2=NC=N1   11.620
*4589 CC1=CC(=CC(=C1)O)O   10.191
*4591 CC(=O)CC1=CC=CO1    5.399
*4594 CC=C[CH]1OC(=O)C=C1    4.004
*4604 O=C1OC(=O)[CH]2CC[CH]1C2    4.790
*4606 COS(=O)(=O)C1=CC=CC=C1    6.094
*4608 OS(=O)(=O)SCC1=CC=CC=C1    8.804
*4619 OC(=O)C(CC(C(O)=O)C(O)=O)C(O)=O   21.401
*4660 CCOC(=O)N1C=CC=C1    4.717
*4672 NS(=O)(=O)CC1=CC=CC=C1    6.767
*4673 C[C](N)(C(O)=O)C1=CC=CS1   10.184
*4684 N[CH]([CH](O)C1=CC=CO1)C(O)=O   14.357
*4726 NNC(=S)NC1=CC=CC=C1    9.439
*4729 NC1=NC(=C2CCCC2=N1)S    5.007
*4732 CC1=C(SC=C1)C=NNC(N)=S    7.690
*4736 CCNC1=C2C=NNC2=NC=N1   12.697
*4738 CNC1=C2N=CN(C)C2=NC=N1   11.483
*4753 CCN1C=NC2=C1N=C(N)N=C2O   12.134
*4801 NC(=O)CC1=CC=C(N)C=C1   12.496
*4840 COC(=O)NN=C(C)C1=CC=CO1    7.947
*4850 CC(=O)NS(=O)(=O)C1=CC=C(N)C=C1   12.315
*4854 CCOC(=O)C1=C(O)N=C(SC)N=C1    8.431
*4896 OC[CH](O)CSC1=C2N=CNC2=NC=N1   15.275
*4927 ON(O)NC(=N)NN=CC1=CC=C(C=C1)[N+]([O-])=O   21.476
*4930 CC1=C(CO)C=CC=C1    6.620
*4946 CCCC(=O)C1=CC=CS1    5.027
*4956 COC1=CC(=CC=C1)OC    4.724
*4962 CC1=C(O)C(=CC(=C1)O)C   10.149
*4987 SCCC1=CC=CC=C1    3.553
*4993 CC1=CC=C(CN)C=C1    6.171
*5002 C[CH](N)C1=CC=CC=C1    6.090
*5006 NCCC1=CC=CC=C1    6.090
*5009 CC1=CC(=CC(=C1)N)C    5.635
*5017 CCOC1=CC=C(N)C=C1    6.824
*5028 CC(=O)C[N+]1=CC=CC=C1   12.996
*5032 CCCC1=C(O)C=CC=N1    8.845
*5053 CCC1=C(C)C=C(O)N=C1O   12.910
*5059 CCCOC(=O)N1C=CC=C1    4.593
*5085 CN(C)C1=CC=CC(=C1)S(O)(=O)=O   10.398
*5093 COC1=C(NCS(O)(=O)=O)C=CC=C1   10.703
*5095 CCOC(=O)C(=NOC(C)=O)C(C)=O    7.914
*5107 COC1=C2CCCC2=NC(=N1)N    5.851
*5110 CN(NC(N)=O)C1=CC=CC=C1   10.764
*5148 CCCOC1=C2N=CNC2=NC(=N1)N    9.625
*5155 ON(O)NC(=N)NN=CC1=CC=CC=C1   19.073
*5180 NNCCC1=CC=CC=C1    8.470
*5194 CCC1=NC(=C(CC(N)=O)S1)C   11.983
*5196 O=C1N[CH]2CCCC[CH]2C(=O)N1    9.845
*5207 CCOC1=CN=C(OCC)N=C1    6.785
*5210 CCOC(=O)CN1C=NC(=C1)C    6.554
*5238 C[CH](CC(O)=O)[C]1(C)NC(=O)NC1=O   13.440
*5247 N[CH]1CCC2=NC(=NC(=C2C1)O)N   13.431
*5270 NC1=CC=C(C=C1)C=NNC(=N)NN(O)O   22.524
*5286 CC(C)C=C1CCOC1=O    3.754
*5292 C1C[CH]2O[CH]2C[CH]1[CH]3CO3    5.947
*5309 CCOC(=O)[CH]1CCC(=O)C1    6.914
*5333 CC(C)CC(=CC(O)=O)C(O)=O   11.305
*5350 C1C=CC[N+]12CC=CC2   12.910
*5351 O=C1NC[CH]2CCC[CH]1C2    7.706
*5398 NC(=O)[CH]1OCO[CH]2[CH](CO)OCO[CH]12   19.030
*5403 NC(=O)NN=C(C1CC1)C2CC2    8.983
*5410 CCCC[CH](C#N)C(=O)NC(N)=O   12.857
*5437 CC(C)CN1CCC(=O)NC1=S    8.593
*5450 NC(=O)CCSC(=S)N1CCOCC1   12.793
*5496 CC(C)(C)[C](C)(O)C#C    5.616
*5517 CC(C)CCOC(=O)C=C    3.542
*5520 OC1[CH]2CCC[CH]1COC2    8.375
*5539 CCC(=O)CC(=O)C(C)C    7.108
*5547 CCOC(=O)C(=O)C(C)(C)C    5.664
*5567 CCCOC(=O)C(=O)OCCC    5.115
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*5704 C=CCNCCNCC=C    8.066
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*5772 C[CH]1CCCC[CH]1CO    5.064
*5786 CC(C)(C)CC(=C)CO    4.564
*5806 CCCC[CH](CC)C(O)=O    5.523
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*5829 CCCOC(=O)CCSCC    5.236
*5834 CCOCCOCOCC=C    5.863
*5838 CCC(=O)OCC[CH](C)OC    5.195
*5845 CCCCC(=O)C(OC)OC    6.249
*5892 CCO[CH]1CCCC[CH]1N    6.670
*5900 CCC(CC)(CC)C(N)=O    7.213
*5917 CCCCCCCC(=O)NO    9.910
*5918 CCCCCCCOC(N)=O    6.664
*5923 CC(C)C(=O)OCCN(C)C    6.693
*5986 CC(C)(C)CC(C)(C)O    4.509
*6009 CCOC(C)(OCC)OCC    5.735
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*6043 CC(C)NCCC[CH](C)O    8.478
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*6200 OC(=O)C1=CC2=C(OCO2)C=C1    9.900
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*6254 OC(=O)C(=O)NC1=CC=CC=C1   12.565
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*6348 C[C]1(NC(=O)NC1=O)C2=CC=CS2   10.039
*6355 CNC(=O)C1=CC(=CC=C1)[N+]([O-])=O   10.717
*6364 O=C1OCCN1N=CC2=CC=CO2    8.084
*6384 CSC1=NC2=CC=CC=C2N1    7.971
*6385 CC1=C2NC(=N)SC2=CC=C1    8.873
*6459 CC(=O)OC1=CC=CC=C1    4.188
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*6475 COC1=CC(=O)C(=CC1=O)C    8.900
*6509 CC1=CC=CC(=C1O)C(O)=O    7.804
*6527 OC(=O)CS(=O)(=O)C1=CC=CC=C1   11.032
*6534 C1CN1C2=CC=CC=C2    4.423
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*6541 CC1=CC=C(C=C1)C(N)=O    8.613
*6545 CN(C=O)C1=CC=CC=C1    6.762
*6554 CC(=O)C1=CC=C(C)N=C1    7.848
*6575 CC(=O)NC1=CC=C(O)C=C1   12.192
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*6591 NC(=O)OCC1=CC=CC=C1    8.496
*6596 OC(=O)CCC1=CC=NC=C1   10.115
*6597 CCOC(=O)C1=CC=CC=N1    7.220
*6692 [O-][N+]1=C(SC2=NCCN2)C=CC=C1   15.281
*6698 CC(=O)NNC(=O)C1=CC=NC=C1   13.206
*6726 COCC1=NC2=C(O)N=C(N)N=C2N=C1O   19.567
*6766 CC(=O)C1=CC=C(NC(N)=O)C=C1   12.435
*6776 OC(=O)CNC(=S)NC1=CC=CC=C1   10.547
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*6819 CCOC(=O)NC1=CC=C(C=C1)[N+]([O-])=O    9.943
*6839 NC(=O)NC(=N)NC(=O)C1=CC=CC=C1   17.799
*6845 CC1=NC(=C2N=C(NC2=N1)SCCC(O)=O)O   20.183
*6851 OCCNC(=O)C(=O)NN=CC1=CC=C(O1)[N+]([O-])=O   17.842
*6855 NC1=NC(=NC(=N1)NC2=CC=CC=C2)N   12.983
*6863 C=CCOC1=CC=CC=C1    3.379
*6878 COCC(=O)C1=CC=CC=C1    6.090
*6883 CCC(=O)C1=C(O)C=CC=C1    5.767
*6903 CS(=O)(=O)C=CC1=CC=CC=C1    6.106
*6913 O[CH](CC1=CC=CC=C1)C(O)=O    8.038
*6918 COC1=CC=C(COC=O)C=C1    5.939
*6919 COC1=CC=CC(=C1OC)C=O    7.328
*6932 CCOC(=O)C1=CC=C(O)C=C1    8.320
*6940 CCOC(=O)C1=CC(=CC=C1)O    8.320
*6953 CCOC1=CC(=C(C=C1)C(O)=O)O    8.951
*6974 COC(=O)C1=C(O)C(=CC=C1)OC    6.570
*6998 CN(C)C1=CC=C(C=O)C=C1    6.670
*7010 CC1=CC=C(C=C1)C(=O)CN    7.654
*7017 OC1=C2NCCCC2=CC=C1    9.551
*7037 CN(C(C)=O)C1=CC=C(O)C=C1   10.879
*7070 N[CH](CC(O)=O)C1=CC=CC=C1   11.219
*7088 CC(=O)C1=C(C)NC(=C1C)C(O)=O   12.393
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*7114 CCOC(=O)C1=C(C)C=C(O)N=C1O   12.042
*7134 COC1=CC=C(C=C1)C=NNC(N)=S    8.695
*7137 COC1=CC=C(C=C1)C=NNC(N)=O   11.332
*7149 NC1=NC2=C(C[CH](CC2)C(O)=O)C(=N1)O   14.572
*7170 NC(=S)NN=CC1=NC(=CC=C1)C=NNC(N)=S   15.550
*7184 CC(=O)NC1=CC(=CC(=N1)C)C   11.007
*7207 CCOC1=C(NC(N)=S)C=CC=C1    8.165
*7248 OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O   18.550
*7257 CCC1=NC2=C(N1)N(C)C(=O)N(C)C2=O   11.609
*7263 CC(=O)NC1=NC(=NC(=C1)C)NC(C)=O   10.623
*7267 CCCCS(=O)(=O)C1=C2N=CNC2=NC=N1   11.378
*7268 CCNC1=NC2=C(S1)N(C)C(=O)N(C)C2=O   14.754
*7315 CCOCC1=CC=CC=C1    4.034
*7322 CC1=C(C)C=C(O)C(=C1)C    6.123
*7331 C[CH](O)COC1=CC=CC=C1    7.688
*7338 CC1=C(CC=C)C(=O)C[CH]1O    8.672
*7341 COC1=CC=C(OCCO)C=C1    9.039
*7385 CCCC1=CC=C(N)C=C1    5.432
*7390 CC1=CC=C(CCN)C=C1    6.048
*7393 CC1=C(C)C=C(N)C(=C1)C    5.592
*7414 C[CH](N)[CH](O)C1=CC=CC=C1   10.405
*7418 CCC(=O)C[N+]1=CC=CC=C1   12.873
*7424 COC1=CC=C(CCN)C=C1    7.319
*7437 COC(OC)C1=CC(=CC=C1)N    8.842
*7442 CC[N+]1=CC=C(C=C1)C(=O)OC   11.889
*7448 CNS(=O)(=O)C1=C(C)C=CC(=C1)C    5.947
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*7510 CN(C)CCOC1=C2N=CNC2=NC=N1   13.152
*7527 CN(C)C1=C2N=C(NC2=NC(=N1)S(C)(=O)=O)S(C)(=O)=O   17.181
*7538 C[CH](CC1=CC=CC=C1)NN    8.347
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*7548 C[CH](CN)C1=C(N)C=CC=C1    9.419
*7578 NC(=O)CC[CH](NC(=O)OCC=C)C(O)=O   14.144
*7582 CCOC(=O)C(CC([N+]([O-])=O)[N+]([O-])=O)C(=O)OCC   12.373
*7610 CC#CC1(O)CCCCC1    6.146
*7632 CCOC(=O)[CH]1OC12CCCC2    5.434
*7636 CCCCCC#COC(=O)OC    2.368
*7656 C[CH](O)C(=O)O[CH](C)C(=O)OCC=C    5.971
*7703 CN(C)CCNC1=CC=CC=N1   11.444
*7707 CCOC1=CC(CCC1)=NNC(N)=O    9.717
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*7752 CC(C)(NC(=O)NC(C)(C)C(N)=O)C#N   17.163
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*7822 CCC(OC(=O)CC)OC(=O)CC    5.886
*7840 OC[CH]1[CH](CO)[CH](CO)C(=O)[CH]1CO   12.670
*7841 COCCOCCOC(=O)CC(C)=O   10.545
*7854 C[CH](N)CC1=CCCCC1    4.475
*7879 CCOC(=O)C1(N)CCCCC1    6.061
*7894 CN1CC[C](C)(O)[CH](C1)C(C)=O   11.910
*7895 CCCOC(=O)N1CCCCC1    6.460
*7912 CC(C)CC[CH](NC(C)=O)C(O)=O   10.824
*7922 CCOC(=O)CC[CH](N)C(=O)OCC    8.575
*7935 CCCC=C(CC)C=NNC(N)=S    5.496
*7950 CCC(CC)CCC(=O)NC(N)=O    9.228
*7984 OCCC1CCCCCC1    4.939
*7993 CC1(CCO)CCCCC1    4.939
*7997 CCCCCCCOC(C)=O    3.018
*7998 CCCCCCC1OCCO1    3.914
*8046 CCOC(OCC)C(C)(C)OC=O    6.167
*8050 CCS(=O)(=O)C1(CCCC1)S(=O)(=O)CC    8.893
*8053 CCCCCCC1SCCS1    4.695
*8067 CN1CCCCCC[CH]1CO    8.492
*8106 C[CH](O)CC(C)(C)NC(=O)[CH](C)O    9.115
*8118 CCCCCCC(C)C   -0.602
*8132 CC(C)(C)NC(=S)NC(C)(C)C    5.380
*8188 OS(=O)(=O)CN1CCN(CC1)CCN(CS(O)(=O)=O)CS(O)(=O)=O   23.447
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*8384 OC(=O)C[CH](SC1=NC=NC2=C1N=CN2)C(O)=O   19.783
*8409 OC(=O)CSC(=S)C1=CC=CC=C1    9.520
*8413 O=C1OCCC1=CC2=CC=CO2    5.545
*8414 CC(=O)C1=CC=C(C=C1)C(O)=O    9.706
*8429 OC(=O)CC1=C(C=CC=C1)C(O)=O   12.051
*8450 CC1=C2NC=CC2=CC=C1    6.010
*8469 CC1=CC(=CC(=C1O)C)SC#N    8.955
*8479 COC1=C(OC)C=C(C=C1)C#N    6.740
*8507 COC1=CC=C(C=C1)C=C[N+]([O-])=O    6.686
*8520 CC(=O)COC1=C(C=CC=C1)[N+]([O-])=O    8.223
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*8555 S=C1NC[CH](S1)C2=CC=CC=C2    5.724
*8586 CCCC1=C(C(=C(C=C1[N+]([O-])=O)[N+]([O-])=O)O)[N+]([O-])=O    9.674
*8594 CC1=NC2=C(C=CC=C2)N=C1C    6.460
*8601 CC1=NC2=C(N)C=CC=C2C=C1    9.572
*8609 NC(=O)CC1=CNC2=C1C=CC=C2   12.830
*8626 O=C(NC1=CC=CC=C1)OCCC#N   10.921
*8641 CC1=C(C)[N+](=C2C=CC=CC2=[N+]1[O-])[O-]   16.460
*8652 OC1=CC=C(C[CH]2NC(=O)NC2=O)C=C1   13.757
*8655 OC(=O)C=CC(=O)NCC1=CC=CN=C1   17.194
*8657 COC(=O)NN=CC1=CC2=C(OCO2)C=C1   11.003
*8670 C[CH](NC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(O)=O   14.423
*8698 OC(=O)CCC(=NNC1=CC=C(C=N1)[N+]([O-])=O)C(O)=O   19.292
*8740 OC(=O)CCC(=O)C1=CC=CC=C1   10.014
*8774 OC(=O)C[CH](C(O)=O)C1=CC=CC=C1   12.360
*8792 COC1=CC(=CC=C1O)CC(=S)C(O)=O   12.636
*8807 N#CCCCC1=CC=CC=C1    5.362
*8811 CC[CH](C#N)C1=CC=CC=C1    5.362
*8815 CC1=C(C)C=C(CC#N)C=C1    5.523
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*8843 CC(=O)NCC(=O)C1=CC=CC=C1   10.185
*8852 C1CC1C2=NO[CH](C2)C3=CC=CO3    4.162
*8867 CCOC(=O)C(=O)CC1=CC=CC=N1   10.009
*8869 CNC(=O)OC1=CC=C(C=C1)C(C)=O   10.233
*8912 CCOC(=O)C1=C(NC(=C1C)C(O)=O)C=O   14.367
*8917 COC1=C(CCC(O)=O)C=C(C=C1)[N+]([O-])=O   10.863
*8920 OC[CH](O)COC(=O)C1=CC=C(C=C1)[N+]([O-])=O   12.491
*8944 N[CH](CC1=CNC2=C1C=CC=N2)C(O)=O   16.587
*8983 CN1NC(=O)C[CH]1C2=CC=CC=C2   11.096
*8998 OC(=O)CNC(=N)CC1=CC=CC=C1   11.100
*9000 OC1=C[N+](=NO1)CCC2=CC=CC=C2   14.260
*9003 CN(C(=O)CSC(N)=O)C1=CC=CC=C1    8.676
*9008 CC(=O)NC1=CC=C(NCC(O)=O)C=C1   15.148
*9016 CC(C)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O   10.368
*9018 NC1=CC=C(C[CH](NC=O)C(O)=O)C=C1   15.724
*9064 CCSC1=NC2=NC(=NC(=C2C=N1)O)SCC   13.439
*9077 CCOC(=O)C1=NC2=C(N1)N(C)C(=O)N(C)C2=O   13.845
*9163 CCCC(=O)C1=CC=C(O)C=C1    8.745
*9165 CC(C)C1=CC=CC(=O)C(=C1)O    4.526
*9208 CC(=O)OCCOC1=CC=CC=C1    5.996
*9237 CCOC(=O)OCC1=CC=CC=C1    4.177
*9261 COC(=O)C1=CC(=C(OC)C=C1)OC    6.917
*9277 CCOC(=O)C1=CC=C(C=C1)S(C)(=O)=O    7.971
*9293 CN(C)C1=CC=C(C=C)C=C1    4.358
*9301 CC(C)N=CC1=CC=CC=C1    3.161
*9304 CC[CH](C(N)=O)C1=CC=CC=C1    8.799
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*9326 CC(=O)NC1=CC(=C(C)C=C1)C    8.124
*9361 OC(=O)CCNCC1=CC=CC=C1   10.876
*9398 CNC[CH](C(O)=O)C1=CC=CC=C1   10.876
*9400 NC(=O)OCCCC1=CC=CC=C1    8.249
*9427 CCOC(=O)COC1=CC(=CC=C1)N    8.599
*9436 CCOC(=O)C1=C(NC(=C1C)C)C(O)=O   11.721
*9447 COC(=O)C=C(CN1C(=O)CCC1=O)OC   10.991
*9458 CC(C)(NNC1=CC=CC=C1)C#N   10.893
*9459 C1CCN(C1)N=NC2=CC=CC=C2    6.380
*9468 CCOC(=O)C1=CC=C(NC(N)=N)C=C1   12.959
*9483 COC1=CC=CC(=C1OC)C=NNC(N)=O   12.559
*9484 CC(C)OC(=O)NNC(=O)C1=CC=NC=C1   12.411
*9524 C1C[CH]2C[CH]1[CH]3CC=C[CH]23    1.398
*9532 CCN(CC)C1=CC=C(C=C1)N=O    5.801
*9548 C[CH]1CCC(CC1)=C2NC(=S)NC2=O    7.559
*9559 CC[CH](CO)NC(=O)C1=CC=CN=C1   15.264
*9567 C[CH]([CH](O)C1=CC=CC=C1)N(C)N=O   10.971
*9568 CCOC1=C(NCC(N)=O)C=CC=C1   12.002
*9570 CCC1(CC=CC)C(=O)NC(=S)NC1=O    8.377
*9578 COC(=O)C1=C(C)NC(=C1C)C(C)=NO   11.203
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*9586 OCCNC1=CC(=O)C(=CC1=O)NCCO   18.593
*9587 OCC(CO)(CO)NC(=O)C1=CC=CN=C1   18.138
*9594 NC(=O)[CH](COS(O)(=O)=O)NCC1=CC=CC=C1   18.224
*9599 CCC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C   10.281
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*9670 CCOC1=CC=C(OCC)C=C1    4.479
*9686 C[CH](O)[C](C)(O)C1=CC=CC=C1    7.730
*9714 COC1=CC(=C(OC)C(=C1)OC)OC    7.180
*9724 CC(=O)C(C(C(C)=O)C(C)=O)C(C)=O   13.699
*9732 COC(=O)[CH]1CCC(=O)[CH](C1)C(=O)OC    9.538
*9763 CN1C[CH]2[CH]3C[CH](C=C3)[CH]2C1    4.699
*9772 C[N+](C)(C)C(=O)C1=CC=CC=C1   16.114
*9785 CC(C)(N)[CH](O)C1=CC=CC=C1   10.281
*9833 CCOC(=O)C(C#N)=C(CC)OCC    7.154
*9842 COC(=O)CC[CH](NC(=O)OCC=C)C(O)=O   13.149
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*9889 CC(=C)[CH]1CCC(=CC1)C    0.420
*9899 NCCNCCC1=CC=CC=C1    9.614
*9906 COC1=CC=C(C[CH](C)NN)C=C1    9.575
*9922 CCC1(CC(C)C)C(=O)NC(=S)NC1=O    8.321
*9928 CCC[CH](C)C1(C)C(=O)NC(=O)NC1=O   12.197
*9955 CN(C)CCCNC1=C2N=CNC2=NC=N1   15.870
*9968 CC(=C)[CH]1CC[C]2(C)O[CH]2C1    3.347
*9976 CC(=O)C[CH]1C[CH]2CC[CH]1C2    4.155
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*9998 CC(=O)OC1(CCCCC1)C=C    3.378
*10003 CC(=O)[CH]1C[CH](CC=O)C1(C)C    6.959
*10005 CCOC(=O)[C]1(C)CCCCC1=O    6.670
*10032 CC1(C)OC(=O)C[CH]1CCCC(O)=O    8.502
*10111 C[CH]1CC[CH]2CCCC[CH]12    0.457
*10112 C1CCC(C1)C2CCCC2    0.457
*10139 OCCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O   23.419
*10179 CCCCCC(=O)CC(=O)CC    6.863
*10186 CC1(C)[CH]2CC[C](C)(OO)[CH]1C2    4.770
*10197 CC(C)(C)C(=O)C(=O)C(C)(C)C    5.967
*10219 CC(C)C1CCC(CC1)C(O)=O    5.633
*10224 C(CCC[CH]1CO1)CC[CH]2CO2    5.346
*10225 CCCC(=O)[CH](C(C)C)C(C)=O    6.863
*10227 C[CH]1CCOC2(CCCCC2)O1    4.146
*10235 CCOC(=O)C(C)(C)C(=O)C(C)C    6.313
*10240 CCOC(=O)[CH](CO)C1CCCC1    7.688
*10259 CCCCOC(=O)COC(=O)CCC    4.914
*10270 CCOC(OCC)C=CC(=O)OCC    6.633
*10286 CCC[CH](NC(C)(C)C)C#C    4.701
*10365 C1CN(CCO1)CCN2CCOCC2   11.947
*10407 CCCCCCCCCC=O    3.184
*10415 CC(C)[CH]1CC[CH](C1)[CH](C)O    4.818
*10433 CC[C](C)(O)C=C[C](C)(O)CC    5.955
*10434 CCCC1(C)OCC(C)(C)CO1    3.790
*10449 CCCCCCCCCOC=O    2.635
*10454 CCC[CH]1O[CH](C)CC(C)(C)O1    3.790
*10455 CCCCCC[CH](C)CC(O)=O    5.277
*10464 CCCCC(C)(C)SCCC(O)=O    7.372
*10466 CCCCCCCC[CH](O)C(O)=O    6.084
*10467 CCCCCC(=O)O[CH](C)COC    4.951
*10475 CCCCC(=O)OCC[CH](C)OC    4.951
*10482 CCCCOCCOCCOC(C)=O    7.004
*10489 CC(C)[CH]1CC[CH](C)C[CH]1N    4.369
*10498 CCCCN(CCCC)C(C)=O    6.530
*10507 C[N+]1(CCCCC1)C[CH](O)C=C   16.762
*10552 CCCCCC[CH](O)CCC    4.262
*10567 OCCSCCCCCCSCCO   10.089
*10569 CCOC[C](C)(CO)C[CH](C)CO    7.955
*10582 CCC(CC)SC(CC)CC    2.120
*10584 SCCCCCCCCCCS    2.924
*10588 CCCCCNCCCCC    3.796
*10602 CC(C)(CO)NCCNC(C)(C)CO   13.438
*10605 CN(C)CCC(=O)OCC[N+](C)(C)C   18.261
*10624 OC(=O)C1=NC2=CC=CC(=C2C=C1)[N+]([O-])=O   13.262
*10628 OC(=O)C1=C2C=CC=CC2=NC=C1[N+]([O-])=O   13.262
*10687 OC1=NC2=C(C=C1)C=C3OCOC3=C2   13.080
*10701 OS(=O)(=O)C1=CC2=CC=CC(=C2C=C1)[N+]([O-])=O   12.014
*10708 O=C1NC2(NC(=O)C1=O)NC3=CC=CC=C3S2   14.084
*10724 N#CCC1=C(CC#N)C=CC=C1    8.947
*10728 O=C(C1=CC=NN1)C2=CC=CC=C2    8.876
*10746 O=C1CN(C(=S)N1)C(=O)C2=CC=CC=C2    8.121
*10784 NC1=C2N=CNC2=NC(=N1)C3=CC=CN=C3   17.152
*10803 OC(=O)CC1=CSC2=C1C=CC=C2    8.629
*10821 OC(=O)C=CC1=CC2=C(OCO2)C=C1   10.824
*10859 SC1=C2C=CC=C(S)C2=CC=C1    5.306
*10874 NC1=C2C=CC(=CC2=CC=C1)O   10.714
*10878 NC1=C2C(=CC=CC2=CC=C1)O   10.714
*10910 OC(=O)C=CC(=O)NC1=CC=CC=C1   13.818
*10969 CC(=O)OCC1=C(C=C2OCOC2=C1)[N+]([O-])=O   10.188
*10989 NC1=C2C(=CC(=CC2=CC(=C1)S(O)(=O)=O)S(O)(=O)=O)O   23.375
*10993 NC1=C(C=CC2=C(C=CC(=C12)O)S(O)(=O)=O)S(O)(=O)=O   23.375
*11011 CC(=O)NC1=NC2=C(C=C1)C(=CC=N2)O   18.971
*11025 CN1C=NC(=C1S(=O)(=O)OC2=CC=CC=C2)[N+]([O-])=O   10.757
*11036 CC1=CC2=C(C=CC=C2)C=C1    3.237
*11037 N#CCCN1C=CC2=C1C=CC=C2    7.983
*11042 NNC(=O)C1=C2C=CC=CC2=CC=C1   12.044
*11064 CC1=C(C)N=C2C=C(C=CC2=N1)C(O)=O   11.156
*11083 NN=C(C1=CC=CS1)C2=CC=CC=C2    7.485
*11103 CN(C1=CC=CC=N1)C2=C3C=NNC3=NC=N2   14.991
*11121 O=C1C=CC(=O)[CH]2[CH]3C[CH](C=C3)[CH]12    8.463
*11124 CC1=CC=C(C=C1)C(=O)OCC#C    5.078
*11137 OC1=C(C=CC=C1)C=C2CCOC2=O    9.526
*11147 COC1=CC=C(C=C1)C(=O)C=CC(O)=O   11.845
*11150 OC(=O)[CH]1C[CH]1C2=CC3=C(OCO3)C=C2   10.399
*11188 OC(=O)CCN1C=CC2=C1C=CC=C2    9.728
*11195 CC1=CC=C(C=C1)N2C(=O)CCC2=O    6.842
*11201 CCOC1=C(OC(C)=O)C=CC(=C1)C#N    7.308
*11211 COC1=CC2=C(C=C1OC)C(=CO)C(=O)N2   15.173
*11212 CCC(=CC1=CC2=C(OCO2)C=C1)[N+]([O-])=O    8.076
*11215 COC1=CC=C2C=C(C=CC2=C1N)S(O)(=O)=O   14.289
*11231 NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(N)N=C2   16.390
*11234 CCOC(=O)C1=CN=C2N=C(N)C=CC2=C1O   15.447
*11288 COC1=CC=C(C[CH]2NC(=O)NC2=O)C=C1   11.002
*11302 COC1=CC(=CC(=C1OC)[N+]([O-])=O)C(=O)C(C)=NO   12.666
*11310 C[CH](CSC1=NNC(=S)S1)C2=CC=CC=C2    7.485
*11331 CCOC(=O)C1=NC2=C(C(=N1)N)C(=NN2C)CC#N   17.240
*11357 OC1=CC2=C(CCCCC2=O)C=C1    9.058
*11360 CC(=O)O[CH]1CCC2=C1C=CC=C2    5.039
*11363 C[CH](C=C)C1=C(O)C(=CC=C1)C=O    5.471
*11368 COC1=CC2=C(C=C1)C(=O)CCC2    6.426
*11375 CCOC(=O)C=C(S)C1=CC=CC=C1    6.185
*11384 CCOC(=O)[CH]1O[CH]1C2=CC=CC=C2    6.664
*11403 COC1=CC2=C(OCO2)C=C1CC=C    6.270
*11413 OC(=O)C[CH](CC1=CC=CC=C1)C(O)=O   12.237
*11417 COC(=O)COC1=CC(=CC=C1)C(C)=O    8.010
*11427 COC1=CC(=CC(=C1OC)OC(C)=O)C(O)=O   11.340
*11435 COC1=CC=C(C=C1)C(C)(C)C#N    6.590
*11443 CCC1=CC(=C(OC)C=C1)CC#N    6.670
*11475 C[CH](NC(=S)SCC1=CC=CC=C1)C(O)=O    9.073
*11481 OC(=O)CCCC(=O)NC1=CC=CC=C1   13.092
*11507 CC(=O)N[CH](CC1=CC=CC=C1)C(O)=O   12.408
*11528 OC(=O)CCNC(=O)OCC1=CC=CC=C1   13.159
*11571 C[CH](NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2)S(O)(=O)=O   16.866
*11574 CC(CCC(O)=O)=NNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O   13.111
*11596 CCCC1=NC2=CC(=CC=C2N1)C    6.104
*11598 CC(C)(C)C1=NC2=CC=CC=C2N1    6.024
*11617 [O-][N+](=O)C1=CC=C(C=C1)N2CCCCC2    6.457
*11625 CC(C)C1=CC=C(C=C1)C=NNC(O)=O   10.285
*11630 CC1(C(=O)NC(=S)NC1=O)C2=CCCCC2    8.536
*11675 O[CH]1CCCC[CH]1N2C=NC3=C(S)N=CN=C23   11.975
*11689 O=C1N[CH](CCS(=O)(=O)NNC2=CC=CC=C2)C(=O)N1   15.738
*11711 COC1=CC2=C(CCCC2)C=C1    3.520
*11735 CC[CH](C)OC(=O)C1=CC=CC=C1    4.090
*11737 COC1=CC=C(C[CH](C)C=O)C=C1    6.243
*11743 C1COC(CC2=CC=CC=C2)OC1    5.499
*11749 CC[CH](CC(O)=O)C1=CC=CC=C1    6.987
*11754 CCC[CH](C(O)=O)C1=CC=CC=C1    6.987
*11790 COC1=C(OC)C=C(CC(C)=O)C=C1    7.854
*11800 COCCOC(=O)C1=CC=C(C)C=C1    6.225
*11837 COC1=CC(=O)C=C(OC)C1(O)CC(C)=O   14.499
*11864 CC1=CC(=CC=C1)N2CC[CH](O)C2    8.570
*11895 CN(C)C[CH](C(O)=O)C1=CC=CC=C1   10.536
*11903 COC1=CC2=C(CNCC2)C=C1OC    8.640
*11905 CC1=C(C)C=C(NC(=O)CCO)C=C1   12.438
*11934 CCCCNC1=CC=C(C=C1)C(O)=O    9.706
*11945 C[CH](O)C(=O)N(CCO)C1=CC=CC=C1    8.896
*11958 COC1=C(OC)C=C(CCNC=O)C=C1   10.900
*11974 CCCCN(C(S)=S)C1=CC=CC=C1    2.672
*11979 CCCOC1=CC=C(C=C1)C=NNC(N)=S    8.450
*11989 CCC=NNS(=O)(=O)C1=CC=C(NC(C)=O)C=C1   11.642
*11998 CCCN1N=NN(CC2=CC=CC=C2)C1=N   10.556
*12010 OCCNC1=C2N=CN([CH]3CCCO3)C2=NC=N1   18.738
*12024 NC1=NC=NC2=C1N=CN2[C]3(CO)O[CH](CO)[CH](O)[CH]3O   23.268
*12044 CC(C)CCON=CC1=CC=NC=C1    6.333
*12045 CC(C)CCON=CC1=NC=CC=C1    6.333
*12049 CC(C)OC(=O)NN(C)C1=CC=CC=C1    8.483
*12050 CCCNCCC1=C(C=CC=C1)[N+]([O-])=O    7.907
*12069 CCCC1(CC(C)=C)C(=O)NC(=S)NC1=O    8.253
*12089 CCOC(=O)C1=CC(=CC(=C1)NS(C)(=O)=O)NS(C)(=O)=O   11.666
*12092 CN(C)C(=S)SCNC1=C(C)C=CC=C1    5.466
*12102 CCCCN1C(=S)NC2=C1N(C)C(=O)N(C)C2=O    9.693
*12129 CCCCOCC1=CC=CC=C1    3.788
*12150 CCC(=O)OC1(CCCCC1)C#C    4.035
*12179 CCOC(=O)[CH]1[CH](CC(C)C)OC(=O)C1=O    8.520
*12185 CCCCCC1=NC(=CC=C1)C    4.573
*12202 CCC[CH](C)CC1=CC=CN=C1    4.493
*12265 CCCCCNC1=C2C=NN(C)C2=NC=N1   11.000
*12279 CCCCCCSC1=NC2=C(N)N=CN=C2N1   14.074
*12312 OC(=O)CCC[CH]1CC[CH]2NC(=O)N[CH]2C1   13.733
*12333 CC(=C)CN(CC(C)=C)C1=NC(=NC(=N1)N)N   10.444
*12356 CC1=C[C](C)(CCC1)CCC(O)=O    5.493
*12358 C=CCCC(OCC=C)OCC=C    3.695
*12388 COCCOC(=O)CC(=C)C(=O)OCCOC   10.079
*12398 CCCC1(CCC)CC(=O)NC(=O)C1    6.735
*12425 CCCCCCC[C]1(C)NC(=O)NC1=O    7.821
*12432 CC(=O)N(CCCN1CCOCC1)C(C)=O   12.122
*12438 CC1(C)NC(=N)SC2(C)CCC1CC2    8.000
*12472 CCC[CH](C)C(=O)OC1CCCC1    3.127
*12503 OCCCC[CH]1COC2(CCCC2)O1    8.460
*12504 CCOC[CH]1COC2(CCCCC2)O1    6.078
*12506 CCCCCC(C)(CC(O)=O)CC(O)=O   10.406
*12509 CCOC(=O)C(C(=O)OCC)C(C)(C)C    5.640
*12511 CCOC(=O)CC1(C)OCC(C)(C)CO1    6.536
*12535 CC(C)C(C#N)(C(C)C)C(C)C    3.408
*12540 CCCCN(CCCC)CC#C    4.361
*12553 CCCCCOC(=O)N1CCCCC1    6.214
*12561 CCOC(=O)C(CCN(C)C)C(=O)OCC    9.192
*12564 CCCCC[C]1(C)OC[CH](COC(N)=O)O1   10.060
*12571 CCCCCCCCCCSC#N    3.251
*12575 CC1CCC(CC1)C(C)(C)C   -0.021
*12598 CCCCCCCCCC(C)=O    3.321
*12622 CCCCCC[CH]1OCC[CH](C)O1    3.668
*12624 CCCC[CH](CC)C(=O)OCCC    2.772
*12640 CCCCCC1OCC(C)(C)CO1    3.668
*12644 CCCCCCCC(=O)OC(C)C    2.772
*12646 CCCCC[CH](CCC)COC=O    2.513
*12652 CCCC1OCC(C)(CCC)CO1    3.668
*12653 CCCCCOC(=O)CCCCC    2.772
*12655 CCCC1(C)OCC(C)(CC)CO1    3.668
*12659 CCCCC[C]1(C)O[CH](C)[CH](C)O1    3.668
*12685 COC[CH]1O[CH](OC)[CH](OC)[CH](OC)[CH]1OC   12.785
*12728 OCCCCCCCCCCCO    5.777
*12769 CC1=C(C#N)C(=O)OC2=C1C=CC=C2    7.614
*12790 COC1=CC=C(C=C1)C=C(C#N)C#N    9.090
*12796 CC1=CC=C2C=CC=C(C2=C1[N+]([O-])=O)[N+]([O-])=O    8.044
*12802 N#CC1(C#N)[CH]2CC[CH](C2)C1(C#N)C#N   14.635
*12803 OC1=C2C=NN(C3=CC=CC=C3)C2=NC=N1   16.132
*12810 OC1=NC(=C2NC(=S)N(C3=CC=CC=C3)C2=N1)S   12.622
*12813 OC1=C2NC(=S)N(C3=CC=CC=C3)C2=C(O)N=N1   17.188
*12822 OC(=O)C1=C(N=C(N1)N=NC2=CC=C(C=C2)S(O)(=O)=O)C(O)=O   23.712
*12843 OC(=O)C1=C2C=CC=CC2=CC=C1    7.975
*12864 NC(=O)C1=C2C=CC=CC2=CC=C1    9.666
*12878 NC(=O)C1=CC2=C(C=CC=C2)C=C1O   10.548
*12879 NC1=CC2=C(C=CC=C2)C=C1C(O)=O   11.427
*12887 O=C1N(C[CH]2CO2)C(=O)C3=C1C=CC=C3   10.313
*12888 O=C[CH]1N=C(CC2=CC=CC=C2)OC1=O    8.121
*12898 COC1=CC=C(C=C1)C=C2SC(=O)NC2=O    8.209
*12929 C(OC1=C2N=NNC2=NC=N1)C3=CC=CC=C3   11.461
*12940 C1CC2=C3C1=CC=CC3=CC=C2    3.550
*12968 [O-][N+](=O)C1=CC=C(CC2=NC=CC=C2)C=C1    8.606
*12979 NC(=O)[CH](C#N)[CH]1CC(=O)OC2=C1C=CC=C2   14.578
*13000 OC1=CC(=C(N=NC2=CC=C(C=C2)S(O)(=O)=O)C(=C1)O)O   23.111
*13013 OC1=C2C=NN(CC3=CC=CC=C3)C2=NC=N1   13.456
*13021 OC1=NC2=C(N=CN2)C(=N1)SCC3=CC=CC=C3   14.724
*13025 COC1=CC=C(OC2=C3N=CNC3=NC=N2)C=C1   11.631
*13035 OC1=CC(=C(C=C1)C=NNC2=CC=C(C=N2)[N+]([O-])=O)O   19.638
*13041 CC1=CC=C(SC2=C3N=CNC3=NC=N2)C=C1   10.304
*13045 SC1=C2N=CN(CC3=CC=CC=C3)C2=NC=N1    8.889
*13090 OC(=O)CSC1=CC2=C(C=CC=C2)C=C1    9.943
*13132 N[CH]1CC2=CC=CC3=CC=CC1=C23    7.536
*13167 CC(=O)NC1=C2C=CC=CC2=C(O)C=C1   13.203
*13171 CC(=O)N1C=C(C(C)=O)C2=C1C=CC=C2    9.139
*13174 CCOC1=C(C=CC=C1)C=C2SC(=S)NC2=O    9.790
*13176 CCOC1=CC(=C2C=CC=CC2=N1)C(O)=O   11.003
*13182 NC(=O)C1=CC=C(C=C1)C=C2CCOC2=O   11.928
*13193 CC(=O)OCCN1C(=O)C2=C(C=CC=C2)C1=O   10.149
*13203 COC1=C2N=C(C=C(O)C2=C(OC)C=C1)C(O)=O   17.298
*13224 NC1=NC(=CC(=N1)SCC2=CC=CC=C2)C(O)=O   11.171
*13230 CC(=O)OC1=C2C=CC(=CC2=C(OC(C)=O)N=N1)N   13.845
*13242 C(NC1=C2C=NNC2=NC=N1)C3=CC=CC=C3   13.914
*13255 COC1=CC=C(NC2=C3N=CNC3=NC=N2)C=C1   14.640
*13265 NC1=C2N=C(NC2=NC=N1)SCC3=CC=CC=C3   15.783
*13279 C(CC1=CC=CC=N1)C2=NC=CC=C2    8.963
*13288 OC1=CC2=C(C=C1)N=C3CCCCC3=N2   10.551
*13296 O[CH]([CH](O)C1=CC=CC=N1)C2=CC=CC=N2   14.836
*13297 COC1=CC=C(C=C1)N2N=C(C)C=CC2=O    8.479
*13302 O=C1NC(=O)[C](N1)(C2CC2)C3=CC=CC=C3    9.883
*13318 CN(C)C(=S)SCN1C(=O)C2=C(C=CC=C2)C1=O    7.780
*13320 CC[CH]1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2   11.979
*13321 CCOC(=O)C1=C(O)N(N=C1)C2=CC=CC=C2   13.924
*13327 CCOC(=O)C1=NN(C=C1O)C2=CC=CC=C2   13.924
*13334 COC1(CC2=CC=CC=C2)C(=O)NC(=S)NC1=O   11.110
*13364 NC1=CC=C(SC2=CC=C(N)C=C2)C=C1   11.407
*13369 NC1=CC(=C(C=C1)N=NC2=CC=CC=C2)N   11.735
*13386 NNC1=C2N(CC3=CC=CC=C3)C=NC2=NC=N1   15.297
*13387 NC1=NC(=C2N=CN(CC3=CC=CC=C3)C2=N1)N   12.818
*13388 N=C(NC1=CC=CC=N1)C(=N)NC2=CC=CC=N2   18.313
*13389 COC1=CC=C(C=C1)N2C=NC3=C(N)N=C(N)N=C23   16.724
*13408 CCOC(=O)CC1=CSC2=C1C=CC=C2    6.001
*13417 CC(=O)C(C(C)=O)C(=O)C1=CC=CC=C1   11.353
*13418 CC(=O)[CH]1C(=O)O[CH]2[CH]3C[CH](C=C3)[CH]2C1=O   10.607
*13448 CC1=C(OCC=C)C(=CC(=C1)C#N)C    5.308
*13457 OC(=O)CCCC1=CNC2=C1C=CC=C2   10.893
*13466 CC1=CC2=C(NC(=C2CC(O)=O)C)C=C1   11.053
*13470 CC1=CC2=C(NC=C2CC(O)=O)C(=C1)C   11.053
*13485 CC(=O)NC1=CC=C(C=C1)C(=O)CCC(O)=O   15.955
*13504 CC(=O)N[CH]1C(=NN(C1=O)C2=CC=CC=C2)C    9.022
*13542 C1CN(CCO1)CSC2=NC3=C(S2)C=CC=C3   10.762
*13571 COC(=O)CCC1=CC=C(C=C1)N(N=O)C(C)=O   10.606
*13578 OC(=O)CNC(=O)CNC(=O)OCC1=CC=CC=C1   13.959
*13592 CC1=NC=C(NS(=O)(=O)C2=CC=C(N)C=C2)N=C1C   13.265
*13604 CNC1=CC(=NC(=N1)N)SCC2=CC=CC=C2    9.585
*13611 CC(=O)C1=CC2=C(CCCC2)C=C1    5.032
*13615 CCCC(=O)C=CC1=CC=CC=C1    5.686
*13630 OC(=O)CC1=CC2=C(CCCC2)C=C1    7.379
*13640 CCC(=O)OCC=CC1=CC=CC=C1    4.863
*13667 CCOC(=O)OCC=CC1=CC=CC=C1    4.315
*13694 OC(=O)C(CCCC1=CC=CC=C1)C(O)=O   12.114
*13725 CCCC[CH](C#N)C1=CC=CC=C1    5.116
*13736 CN1C(=O)CCC2=C1C=C(C)C(=C2)C    7.126
*13747 CC(=O)N[CH](CC1=CC=CC=C1)C(C)=O   10.452
*13776 CCN(CC)C(=O)C1=CC2=C(OCO2)C=C1   10.660
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*17931 CCCCC1=C(O)C(=C2OC(=O)C=C(C)C2=C1)O   12.517
*17949 CC1=C[N+](=CC=C1)CCC2=CC=CC=C2   10.750
*17959 C1CCN(CC1)CC2=COC3=C(O2)C=CC=C3    6.577
*17973 COC(=O)CSC[CH](NC(=O)C1=CC=CC=C1)C(=O)OC   14.108
*17992 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=C(C)[CH]2CCOC2=O   14.498
*17994 CCOC(=O)C[CH](C(=O)OCC)C1=C(O)N=C2N=C(N)N=C(O)C2=N1   22.513
*18006 COC1=CC=C(C=C1)[CH](C#N)N2CCCCC2   10.127
*18018 CCOC(=O)C=C(C)NC1=CC=C(NC(C)=O)C=C1   13.583
*18026 CCN(CC)C(=O)CNC(=O)C1=CC2=C(OCO2)C=C1   12.636
*18069 OC(=O)CCC[CH]1CCCC2=C1C=CC=C2    7.052
*18072 CCOC1=C(C=CC=C1)C(=O)OC2CCCC2    5.428
*18110 COC(=O)CCC[CH](SC1=CC=CC=C1)C(=O)OC    8.682
*18114 COC1=CC=C(C[CH](C)S[CH](CC(O)=O)C(O)=O)C=C1   15.313
*18123 C[CH]1C[CH](C)[CH]2[CH](C1)NC3=C2C=CC=C3    5.309
*18152 C[CH]1CC2=C(C=C(OCCN(C)C)C=C2)C1=O    9.607
*18169 CCCCOC(=O)C1=CC=C(OC(=O)N(C)C)C=C1    8.975
*18173 CC(C)C1=CC=C(C=C1)C2OCC(C)(CO2)[N+]([O-])=O    8.452
*18176 COC1=CC(=CC(=C1OC)OC)[CH]2NC(=O)C(C)(C)O2   12.401
*18179 CCN(CCO)C1=CC(=CC(=C1)C(=O)OC)C(=O)OC   12.640
*18199 CCCCCC[C]1(NC(=O)NC1=O)C2=CC=CN=C2   12.042
*18216 CC(C)[CH]1CCC2=C1C(=CC=C2C)C    1.963
*18294 CCCCCCOC(=O)C1=CC(=CC=C1)C    3.801
*18301 C[CH]1CCO[CH](O1)C2=CC=C(C=C2)C(C)C    5.210
*18335 CCCCCCC1=CC=C(OC(C)=O)C=C1    3.530
*18338 CC(=O)OCCOC1=CC=C(C=C1)C(C)(C)C    5.585
*18350 CCC(CC)COC(=O)C1=CC=C(OC)C=C1    5.072
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*18352 CC(C)COCCOC(=O)CC1=CC=CC=C1    6.288
*18355 COC1=CC=C(C=C1)[CH]2OCC(C)(C)[CH](C)O2    6.480
*18359 CCO[CH](C)OC1=CC=C(CCC(C)=O)C=C1    8.188
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*18368 COC1=CC=C(C=C1OC)C2OCC(C)(C)CO2    7.833
*18400 CCCN(C)C(C)(C)C(=O)C1=CC=CC=C1    6.521
*18429 CCCC(C)(C)COC(=O)C1=CC(=CC=C1)N    7.173
*18433 COC1=CC=C(C=C1)[CH]2C[C](C)(O)[CH](O)C[CH]2N   12.932
*18438 COC1=CC=C(C[CH](O)CN2CCOCC2)C=C1   13.114
*18450 CCOC(=O)COC1=CC(=CC=C1)N(CCO)CCO   12.573
*18469 CCCCNC1=C2C=NN([CH]3CCCCO3)C2=NC=N1   13.939
*18496 CCN(CC)C1=CC(=O)C(=CC1=O)N(CC)CC   11.790
*18499 COCCCNCC(=O)NC1=C(C)C=CC=C1C   12.156
*18519 CCCCCCOC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C   11.059
*18523 CCCCCCN(N=O)C1=NC2=C(N1C)C(=O)N(C)C(=O)N2C   12.879
*18528 CC(C)=CCCC1=CC[C](C)(CC1)C=O    3.015
*18538 CC(C)CCC(C)(C)C1=C(O)C=CC(=C1)O    9.330
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*18566 CC1=CC=[N+](CCC2CCCCC2)C=C1    9.274
*18582 CCC[N+](C)(C)CCOC(=O)C1=CC=CC=C1   15.538
*18600 CCN(CC)C1=CC(=CC(=N1)N(CC)CC)C(O)=O   12.955
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*18674 CC(=O)N(C1CCCCC1)C2CCCCC2    6.750
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*18693 CCCCN(CCCC)CCOC1=C(O)N=C(O)N=C1   17.171
*18698 C1CCN(CC1)CC=CCN2CCCCC2    7.401
*18721 CC(C)[CH]1OC2(CCCCC2)OCC1(C)C    3.654
*18732 C[CH]1CO[CH](CCCCCCCCC=C)O1    3.426
*18737 CCC1(CC)COC2(CCC(C)CC2)OC1    3.654
*18748 CCCC[CH](CC)COCCOC(=O)C(C)=C    4.785
*18774 CCCCN(CCCC)CC#CCCC    4.289
*18792 C[N+]1(CCCC1)CC#CC[N+]2(C)CCCC2   19.081
*18802 CCC(CC)C(=O)NCCNC(=O)C(CC)CC    9.780
*18806 CCOC(=O)[CH](N)CSCCCCSC[CH](N)C(=O)OCC   14.839
*18807 OCCN(CCO)C(=O)CCCCC(=O)N(CCO)CCO   18.090
*18812 CCC(=O)C(CC(C)(C)C)CC(C)(C)C    2.951
*18827 CCCC[CH](CC)COC(=O)[CH](C)CCC    2.402
*18867 CCN(CC)C(=O)N(CC)CCN1CCCCC1   10.870
*18868 CCCCCCCCCCOC(=O)NCCSC(N)=N   13.313
*18888 CCCCCCCCCCCCCCO    3.770
*18894 CC(C)OC(OC(C)C)C(OC(C)C)OC(C)C    7.052
*18919 OC1=C2C(=O)C3=C(C=C(C(=C3C(=O)C2=C(C=C1S(O)(=O)=O)[N+]([O-])=O)O)S(O)(=O)=O)[N+]([O-])=O   27.733
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*18993 OC1=C(O)C(=CC2=C1C(=O)C3=C(C=CC=C3)C2=O)S(O)(=O)=O   19.695
*19001 O=C1N(C2=CC=CC=C2)C(=O)C3=C1C=CC=C3    7.279
*19023 NC1=CC2=C(C=C1S(O)(=O)=O)C(=O)C3=C(C=CC=C3)C2=O   18.280
*19079 NC(=O)C1=CC2=C3C=CC=CC3=CC=C2C=C1   10.676
*19089 O=C1N(CC2=CC=CC=C2)C(=O)C3=C1C=CC=C3    8.742
*19131 NC1=C2N=C(NC2=NC=N1)N=NC3=C(O)C=CC4=C3C=CC=C4   20.710
*19133 N#CCCN1C2=C(C=CC=C2)C3=CC=CC=C13    8.384
*19136 COC1=CC=C(C=C1)C(=CC2=CC=NC=C2)C#N   10.670
*19156 CC1=CC=C(C=C1)S(=O)(=O)N2C=NC3=C(C=CC=C3)C2=O   10.307
*19203 CC1=CC(=C2C=C3C(=C(O)C=CC3=CC2=C1)O)O   16.195
*19258 OC1=CC=C(C=C1)N=CC=CC2=CC=CC=C2    8.127
*19283 CC(=O)NC1=CC2=C(C=C1)C3=CC=C(O)C=C3C2   13.701
*19310 CC1=CC=C(C=C1)S(=O)(=O)NC2=C3N=CN=C(O)C3=CC=C2   14.851
*19328 N#CCCNC1=CC=C(C=C1)C2=CC=CC=C2    9.752
*19335 CC1=C(NC(=S)NC(=O)C2=CC=CC=C2)C=CC=C1   10.210
*19355 OC(=O)C1=C(NCNC2=C(C=CC=C2)C(O)=O)C=CC=C1   16.517
*19356 COC1=C(C=C(NC(C)=O)C(=C1)[N+]([O-])=O)C2=CC=CC=C2   11.616
*19370 CC(=O)C(=NNC1=CC=CC=C1)N=NC2=CC=CC=C2   10.265
*19391 CC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)C    5.625
*19422 COC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2    5.943
*19474 COC1=C2C=CC(C)(C)OC2=CC3=C1C=CC(=O)O3    7.943
*19487 CN(C)C1=CC2=C(C=C1)C3=CC=CC=C3C2    5.575
*19492 CC1(C)C2=C(NC3=C1C=CC=C3)C=CC=C2    6.126
*19514 NCCCC1=CC2=C(C=C1)C3=CC=CC=C3O2    8.085
*19560 CCOC(=O)C(N1C(=O)C2=CC=CC=C2C1=O)C(=O)OCC   11.350
*19595 CN1C(=O)N(C)C2=C(N(C)C(=N2)NN=CC3=CC(=CC=C3)[N+]([O-])=O)C1=O   16.967
*19612 CC(C)[CH](C1=CC=CC=N1)C(=O)C2=CC=NC=C2   11.499
*19627 CCOC(=O)[CH](C)NC(=O)C1=CC2=C(C=CC=C2)N=C1   13.284
*19638 O=C1N[CH]2CCCC[CH]2C(=O)N1OC(=O)C3=CC=CC=C3   10.602
*19653 CC(C)C1=CC=C(C=C1)C=NNC2=CC=C(C=N2)[N+]([O-])=O   11.384
*19665 CCCN1C=NC2=C1N=C(N)N=C2SCC3=C(C=CC=C3)[N+]([O-])=O   11.471
*19668 CN1C(=O)N(C)C2=C(N(C)C(=N2)NN=CC3=CC=C(O)C=C3)C1=O   18.547
*19670 C[CH](C1=CC=CC=C1)C2=C(O)C=CC(=C2)C    7.135
*19692 CC(C)OC(=O)CC1=C2C=CC=CC2=CC=C1    5.613
*19701 COCCOC(=O)CC1=C2C=CC=CC2=CC=C1    7.668
*19709 O=S(=O)(CC1=CC=CC=C1)CS(=O)(=O)CC2=CC=CC=C2   11.462
*19757 C[CH]1OC2=CC=C3C=CC=CC3=C2[CH](C)N1C    6.701
*19760 CC(=O)C1=CC=C(C=C1)N=C[CH]2CCCCC2=O    8.688
*19766 CC(=O)C1=C(C=CC=C1)N=C[CH]2CCCCC2=O    8.688
*19780 CC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2    6.959
*19792 CO[CH]1O[CH]2CO[CH](O[CH]2[CH](SC#N)[CH]1O)C3=CC=CC=C3   18.157
*19802 CC1=NC(=[N+](C)C(=C1)C)C=CC2=CC=CC(=C2)[N+]([O-])=O   14.163
*19827 C1CCN2CC3=C(C[CH]2C1)C4=C(N3)C=CC=C4    9.614
*19833 CCC(O)(CC1=CC=CC=N1)CC2=CC=CC=N2   13.030
*19838 CC(C)CN1C=C(C)C(=O)N(C1=O)C2=CC=CC=C2    8.445
*19841 N#CCCOC[CH](COC1=CC=CC=C1)OCCC#N   13.633
*19856 C1CCN(CC1)C2=C(N=C3C=CC=CC3=N2)N4CC4   10.484
*19860 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)NNS(=O)(=O)C2=CC=C(C)C=C2   15.936
*19882 C[CH]1[CH]2CCC3=C(C)C=C(O)C(=C3[CH]2OC1=O)C    9.046
*19885 CCOC(=O)[CH]1CCC(=O)[C](O)(C1)C2=CC=CC=C2    8.693
*19897 CC1(C)O[CH]2O[CH](COC(=O)C3=CC=CC=C3)[CH](O)[CH]2O1   15.110
*19929 CCOC(=O)C(CCC1=C(C=CC=C1)[N+]([O-])=O)C(=O)OCC    9.384
*19941 CCC1(CC)C(=O)NC(=O)N(CCC2=NC=CC=C2)C1=O   15.955
*19960 CC(C)CN1C[CH](C)C(=O)N(C1=S)C2=CC=CC=C2    7.759
*20007 CC(=O)OCC1=CC=C(C=C1)C2CCCCC2    4.547
*20036 CCCCCCCC(=O)OC1=CC2=C(OCO2)C=C1    6.385
*20052 CC(=O)[CH](CN1CCCCC1)C2=CC=CC=C2    8.565
*20064 CC[CH]1CC2=C(C=C(OCCN(C)C)C=C2)C1=O    9.484
*20131 NC1=CC=C(C=C1)S(=O)(=O)N2CCC[CH]3CCCC[CH]23    8.991
*20144 CC(C)=CCCC(C)=CCOC(=O)C=CC(=O)NC(N)=O   11.928
*20154 COC1=CC=C(C=C1)C(=O)C[N+]23CN4CN(CN(C4)C2)C3   12.733
*20179 CCCC(=O)OC1=C(C)C=C(C=C1)C(C)(C)C    3.487
*20189 CCCC[CH](CC)OC(=O)C1=CC(=CC=C1)C    3.678
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*20335 CCCCNC(OC1=CC=CC=C1)=NCCCC    7.585
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*20379 CCOC(=O)C(CC(C)=C)(CC(C)=C)C(=O)OCC    5.260
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*20549 C(CCN1CCCCC1)CCN2CCCCC2    7.223
*20577 CCCCCCCC(=O)O[CH](CC)CCCC    2.280
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*20612 CCCCCCCCCCSC(NCC)=NCC    6.578
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*20904 C(NC1=C2C=NN(C3=CC=CC=C3)C2=NC=N1)C4=CC=CO4   16.353
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*20995 COC1=CC2=C(C=C1)C3=C(C=C2)C(=O)C(CC3)=CO   11.180
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*21059 O=C1CC[CH](N1C2=CC=CC=C2)C3=CC=CC=C3    8.224
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*21086 O[CH]([CH](N=CC1=CC=CC=C1)C(O)=O)C2=CC=CC=C2   12.642
*21125 CN1C=C(CCC2=CC=NC=C2)C3=CC=CC=C13    8.535
*21134 CCC(=O)C1=CC=C(NC(=S)NC2=CC=CC=C2)C=C1    9.936
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*21243 O[CH]1CCC2=CC=CC3=C(CCC(O)=O)C=CC1=C23   12.827
*21258 COC1=CC(=CC=C1)[CH](O)C(=O)C2=CC=CC(=C2)OC    9.365
*21259 COC1=C(C=CC=C1)[CH](O)C(=O)C2=C(OC)C=CC=C2    9.365
*21272 CC1=CC=C(SC=CSC2=CC=C(C)C=C2)C=C1    5.417
*21289 CN(C)C1=CC=C(CC(=O)C2=CC=CC=C2)C=C1    7.900
*21306 CC(C)(O)C(=NO)C1=CC=C(C=C1)C2=CC=CC=C2   11.629
*21319 NC[CH]1COC(O1)(C2=CC=CC=C2)C3=CC=CC=C3   10.703
*21339 CN(C)C1=CC=C(NC(=S)NC(=O)C2=CC=CC=C2)C=C1   12.051
*21362 CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=CC=C2[N+]([O-])=O)[N+]([O-])=O)S(O)(=O)=O   17.523
*21381 CN(C)CCN1C2=C(OC3=C1C=CC=C3)C=CC=C2    8.851
*21403 [N-]=[N+]=NCCN(CC1=CC=CC=C1)CC2=CC=CC=C2    9.119
*21429 [O-][N+](=O)C1=CC=C(NNC(=O)OCCOCCOC(=O)NNC2=CC=C(C=N2)[N+]([O-])=O)N=C1   28.007
*21466 COC1=CC=C(C=C1)C(=O)CC(=O)[CH]2CCCCC2=O   12.567
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*30170 OCC[N+]1(CCC(CC1)C2CC[N+](CCO)(CC2)CC3=CC=CC=C3)CC4=CC=CC=C4   25.690
*30184 CCCCCCCCC=CCCCCCCCC1=NC(C)(C)CN1C2=CC=CC=C2    3.322
*30206 CCCCCCCCN(CCCCCCCC)C[CH](O)CN1CCCC2=C1C=CC=C2   10.030
*30207 CCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CCC2=CC=CC=C2   17.554
*30236 O=C1C(=C(C2=CC=CC=C2)C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5   10.558
*30242 CC(=O)NC1=C2C(=C(N=NC3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)C=C(C=C5)S(O)(=O)=O)C(=CC2=CC(=C1)S(O)(=O)=O)S(O)(=O)=O)O   39.213
*30249 COC1=CC=C(C=C1)C2(C3=CC=C(OC)C=C3)C4=C(C=CC=C4)C(=O)C5=C2C=C(OC)C=C5   11.975
*30311 CCCCC[CH](C[N+](C)(C)CC=CC1=CC=CC=C1)[CH](O)C2=CC=C(CCCC)C=C2   18.067
*30313 CCN(CC)CCCOC1=CC=C(C=C1)C(C)(C)C2=CC=C(OCCCN(CC)CC)C=C2   11.154
*30322 CCCCCCCCN(CCCCCCCC)C[CH](O)C1=C2C=CC=CC2=NC(=C1)OCC   12.160
*30376 CC1(C)O[CH]2O[CH]([CH](COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)[CH](OC(=O)C5=CC=CC=C5)[CH]2O1   17.203
*30404 CC(=O)OC=C(C)[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    8.317
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*30406 CCCCCCCCCCOC1=CC=C(C=C1)C2=C3C=CC=CC3=[N+](C)C4=CC=CC=C24   13.079
*30407 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)N(C5=O)C6=CC=CC=C6   11.081
*30417 CCN(CC)CCNC1=NC(=C2N=C(C3=CC=CC=C3)C(=NC2=N1)C4=CC=CC=C4)NCCN(CC)CC   20.467
*30431 C[CH](CC[CH](O)C1=CC=CC=C1)[CH]2CC[CH]3[CH]4CC=C5C[CH](O)CC[C]5(C)[CH]4CC[C]23C    6.676
*30432 CC(C)(C)C1=C(O)C(=CC(=C1)C=CC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)C(C)(C)C   10.225
*30450 CC(C)CCC[CH](C)[CH]1CC[C]2(C)C3=C(C(=O)C[C]12C)[C]4(C)CC[CH](O)C(C)(C)[CH]4CC3=O   10.719
*30458 CCCCCCCCCCCC(=O)[CH](CCCCCCCCCC)C(=O)NC1=CC=CC=C1    8.921
*30474 CC(C)CCC[CH](C)CCC[CH](C)CCCC[CH](C)CCC[CH](C)CCCC(C)C   -0.185
*30478 O=C1C2=CC=CC=C2C(=O)C3=C(NC4=C5C=CC=C6C(=O)C7=C(C=CC=C7)C(=C56)C=C4)C=CC=C13   16.329
*30480 OC1=CC(=CC2=C1C=CC(=C2)NC(=O)NC3=CC4=CC(=C(N=NC5=CC6=C(C=C5)C=C(C=C6)S(O)(=O)=O)C(=C4C=C3)O)S(O)(=O)=O)S(O)(=O)=O   42.507
*30513 CCCCCN(CCCCC)[CH](C)[CH](O)C1=CC(=C2C=CC3=C(C=CC(=C3)C(C)C)C2=C1)C   10.426
*30516 CCCCCCCCCC1CCN(CC1)C(C2=CC=C(NC(C)=O)C=C2)C3=CC=C(NC(C)=O)C=C3   14.184
*30528 CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC    0.860
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*30580 CC(C)(C)C1=C2CN(COC2=C(C3=C1OCN(CC4=CC=CC=C4)C3)C(C)(C)C)CC5=CC=CC=C5   10.967
*30646 CCN(CC)CCOC(=O)C1=CC=C(NC(=O)OCCCCCOC(=O)NC2=CC=C(C=C2)C(=O)OCCN(CC)CC)C=C1   20.750
*30651 CN(CC1=C(O)C(=CC(=C1C)C(C)(C)C)C(C)(C)C)CC2=C(C)C(=CC(=C2O)C(C)(C)C)C(C)(C)C   12.857
*30673 NC1=C2C=CC(=CC2=C(C=C1)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=NC5=C6C=C(C=CC6=C(N)C=C5)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O   43.286
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*30700 CC1=CC=C(C=C1)C(C2=CC=C(C)C=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5    6.389
*30709 CC(=O)C1=C(C)C2=CC3=NC(=CC4=C(CCC(O)=O)C(=C(N4)C=C5N=C(C=C1N2)C(=C5C(C)=O)C)C)C(=C3C)CCC(O)=O   27.048
*30710 COC(=O)CCC1=C2NC(=C1C)C=C3N=C(C=C4NC(=CC5=NC(=C2)C(=C5C)CCC(=O)OC)C(=C4C=O)C)C(=C3C=O)C   21.764
*30750 CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC    8.889
*30759 CC1=CC(=CC=C1N=NC2=CC3=C(C=CC=C3S(O)(=O)=O)C(=C2)S(O)(=O)=O)NC(=O)NC4=CC(=C(C=C4)N=NC5=CC(=C6C=CC=C(C6=C5)S(O)(=O)=O)S(O)(=O)=O)C   42.340
*30767 COC1=CC(=CC(=C1OC)OC)[CH]2[CH]3[CH](COC3=O)[CH](O[CH]4O[CH]5CO[CH](O[CH]5[CH](O)[CH]4O)C6=CC=CC=C6)C7=C2C=C8OCOC8=C7   28.218
*30769 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=NO   19.215
*30783 CCCCC[CH](O)[CH]1[CH](O)C[CH](O)C[CH](O)C[CH](O)C[CH](O)C[CH](O)C[CH](O)C(=CC=CC=CC=CC=C[CH](O)[CH](C)OC1=O)C   16.670
*30794 C1=CC=C(C=C1)C=C2C(=C(C3=CC=CC=C3)C(=C2C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6    8.053
*30835 OC(C1=CC=C(C=C1)C2=CC=CC=C2)(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6   12.193
*30852 CC(=C)[CH]1CC[C]2(C)CC[C]3(C)[CH](CC[CH]4[C]5(C)CC[CH](OC(=O)C6=CC=CC=C6)C(C)(C)[CH]5CC[C]34C)[CH]12    2.726
*30864 OC1=CC(=CC=C1)C2(C3=CC=CC=C3)C4=C(C=CC=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=C2C=CC=C7   12.067
*30909 COC1=C(C=CC(=C1)C2=CC=C(C(=C2)OC)[N+]3=NC(=NN3C4=CC=C(C=C4)[N+]([O-])=O)C5=CC=CC=C5)[N+]6=NC(=NN6C7=CC=C(C=C7)[N+]([O-])=O)C8=CC=CC=C8   36.524
*30926 CC(C)C1=C2C=C(C)C(=C(O)C2=C(C=NCCCN(C)C)C(=C1O)O)C3=C(O)C4=C(C=C3C)C(=C(O)C(=C4C=NCCCN(C)C)O)C(C)C   37.031
*30927 CC(=O)OC[CH]1O[CH](O[CH]2[CH](COC(C)=O)O[CH](OC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1O[CH]3O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]3OC(C)=O   39.438
*30950 C[CH]1O[CH](C[CH](O)[CH]1O)O[CH]2[CH](O)C[CH](O[CH]2C)O[CH]3[CH](O)C[CH](O[CH]3C)O[CH]4CC[C]5(C)[CH](CC[CH]6[CH]5CC[C]7(C)[CH](CC[C]67O)C8=CC(=O)OC8)C4   24.896
*30953 O=C(NC1=C2C(=O)C3=CC=CC(=C3C(=O)C2=CC=C1)NC4=C5C(=O)C6=CC=CC(=C6C(=O)C5=CC=C4)NC(=O)C7=CC=CC=C7)C8=CC=CC=C8   28.526
*30977 C[C]1[CH][CH][C]2[N][C](S[C]2[CH]1)[C]3[CH][CH][C]([CH][CH]3)N4ON4[C]5[CH][CH][C](C=C[C]6[CH][CH][C]([CH][C]6S(O)(=O)=O)N7ON7[C]8[CH][CH][C]([CH][CH]8)[C]9[N][C]%10[CH][CH][C](C)[CH][C]%10S9)[C]([CH]5)S(O)(=O)=O   29.074
*30997 CC(C)C1=C2C=C(C)C(=C(O)C2=C(C=NCC3=CC=CC=C3)C(=C1O)O)C4=C(O)C5=C(C=C4C)C(=C(O)C(=C5C=NCC6=CC=CC=C6)O)C(C)C   33.100
*31049 CCCCCC[CH](O)CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC[CH](O)CCCCCC)OC(=O)CCCCCCCCCC[CH](O)CCCCCC   10.161
