1891
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*941 CCOC(=S)SC    5.107
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*1056 CC(C)=NNC(N)=S    6.128
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*1372 CC(=O)N[N+](C)(C)C   17.790
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*3975 CN(C)COC(=S)SCN(C)C    7.870
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*4144 S=C1NC2=CC=CC=C2S1    4.917
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*4151 [O-][N+](=O)C1=CC2=C(NN=C2)C=C1    8.848
*4174 NC1=CC=C(C=C1)C#N    7.735
*4273 O[CH]1OCC=C2OC(=O)C=C12    9.971
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*4293 NC(=O)C1=CC=CC=C1    8.656
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*4325 CC1=CC(=C(C=C1)[N+]([O-])=O)O    5.112
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*4369 CN1N=NC2=C1C=CC=C2    5.504
*4418 NC(=O)NC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O   15.764
*4424 NN=CC1=CC=CC=C1    6.128
*4427 NC(=O)NC1=CC=CC=C1    9.697
*4428 NC1=CC=CC(=C1)NC=O   11.524
*4440 NC(=O)C1=C(N)C=CC=C1   12.106
*4481 CCSC1=NC(=CC(=N1)O)C(O)=O   14.036
*4482 COC(=O)C1=NC(=NC(=C1)O)SC   11.654
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*4512 CC1=NC2=C(CNC(=O)N2)C=N1   13.014
*4514 COC1=C2N(C)C=NC2=NC=N1    8.640
*4560 CSC1=NC(=C2N=C(C)NC2=N1)S    9.028
*4573 CN1C(=O)N(C)C2=C(N=NC(=N2)N)C1=O   12.177
*4579 COC1=CC=CC=C1    3.496
*4617 O[CH](C1=C(O)C=CC=C1)S(O)(=O)=O   17.412
*4664 CCOC(=O)C=C(C)C#N    6.368
*4678 CC1=CC(=C(N)C=C1)S(O)(=O)=O   12.008
*4684 N[CH]([CH](O)C1=CC=CO1)C(O)=O   14.357
*4685 CCOC(=O)C1=C(C)C(=O)ON1    7.648
*4698 NNC(=O)C1=C(N)C=CC=C1   14.485
*4726 NNC(=S)NC1=CC=CC=C1    9.439
*4729 NC1=NC(=C2CCCC2=N1)S    5.007
*4746 CN(C)C1=NC2=CN=CN=C2N1   11.500
*4761 CN1C(=O)N(C)C2=C(NC(=N)N2)C1=O   14.232
*4815 CNCC1=C(C=CC=C1)[N+]([O-])=O    8.276
*4840 COC(=O)NN=C(C)C1=CC=CO1    7.947
*4844 OCCNC1=C(C=CC=C1)[N+]([O-])=O   10.757
*4850 CC(=O)NS(=O)(=O)C1=CC=C(N)C=C1   12.315
*4919 CSCCSC1=C2N=CNC2=NC=N1   11.496
*4927 ON(O)NC(=N)NN=CC1=CC=C(C=C1)[N+]([O-])=O   21.476
*4945 C[CH](O)C1=CC=CC=C1    6.539
*4954 COC1=C(O)C(=CC=C1)C    7.437
*4962 CC1=C(O)C(=CC(=C1)O)C   10.149
*5009 CC1=CC(=CC(=C1)N)C    5.635
*5011 CC1=C(C)C=C(N)C=C1    5.635
*5017 CCOC1=CC=C(N)C=C1    6.824
*5028 CC(=O)C[N+]1=CC=CC=C1   12.996
*5039 NC1=C(SCCO)C=CC=C1   11.570
*5041 CC1=C(O)C(=C(CS)C=N1)CS   11.907
*5047 CCOC(=O)C(C#N)=C(C)C    6.173
*5074 ON1C(=O)[CH]2CCCC[CH]2C1=O   10.158
*5085 CN(C)C1=CC=CC(=C1)S(O)(=O)=O   10.398
*5091 CCOC(=O)[CH]1CN(C)C(=O)C1=O   12.524
*5095 CCOC(=O)C(=NOC(C)=O)C(C)=O    7.914
*5105 NNC(=O)CCC1=CC=NC=C1   14.184
*5163 NC(=N)NC(=N)NC1=CC=C(C=C1)S(O)(=O)=O   22.389
*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
*5246 NC1=NC(=C2CCCCC2=N1)N    8.914
*5250 CC(C)NC(=O)NC=C(C#N)C(N)=O   17.936
*5255 CNC1=NC(=C2C=NN(C)C2=N1)NC   11.051
*5262 CCN(CC)C1=C2N=NNC2=NC=N1   11.652
*5275 OC1(CCCCC1)C#C    5.971
*5278 C[C](O)(C#C)C1CCC1    5.971
*5325 CCCCOC1=CS(=O)(=O)C=C1    5.272
*5331 CCOC(=O)C=CC(=O)OCC    6.613
*5350 C1C=CC[N+]12CC=CC2   12.910
*5355 O=C1C[CH]2CCC[CH](C2)N1    7.706
*5363 CCOC(=O)N1CCC=CC1    6.638
*5375 CC(=O)O[CH](CN1CC1)C=C    7.175
*5393 COC(=O)[CH]1CN(CCO)C(=O)C1   14.438
*5398 NC(=O)[CH]1OCO[CH]2[CH](CO)OCO[CH]12   19.030
*5403 NC(=O)NN=C(C1CC1)C2CC2    8.983
*5405 OCCN(CCC#N)CCC#N   15.269
*5408 CCCCSC1=CC(=NC(=N1)N)O    8.996
*5410 CCCC[CH](C#N)C(=O)NC(N)=O   12.857
*5412 NCCNS(=O)(=O)C1=CC=C(N)C=C1   13.350
*5427 CC(=C)CCC(C)=C    0.383
*5437 CC(C)CN1CCC(=O)NC1=S    8.593
*5440 CC1(C)C(=NO)C(C)(C)C1=NO    9.070
*5486 CC(=O)C1CCCCC1    4.045
*5496 CC(C)(C)[C](C)(O)C#C    5.616
*5503 CC=C[CH]1OCC[CH](C)O1    4.092
*5511 C[CH]1CC[C]2(CCCO2)O1    5.292
*5517 CC(C)CCOC(=O)C=C    3.542
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*5569 CCOC(=O)CC1(C)OCCO1    6.907
*5578 OC(=O)CCCCCCC(O)=O   10.775
*5583 CC(=O)OCCSCCOC(C)=O    8.105
*5602 SCC[CH]1CCC=CC1    2.133
*5619 CCN(CC)C(=O)C(C)=C    7.105
*5626 CCC1(CC)SCCNC1=O    9.445
*5633 CC(C)OC(=O)N1CCCC1    6.583
*5637 N[CH](C1CCCCC1)C(O)=O    8.567
*5675 CCOC(=O)CNC(=O)OC(C)C    8.015
*5680 CCCCCCCSC#N    3.620
*5697 CC(C)CCC(C)=C    0.127
*5702 CCN(CC)CCCC#N    7.327
*5734 CN(C)CCN(CC(O)=O)CC(O)=O   15.277
*5736 CN(CCN(C)CC(O)=O)CC(O)=O   15.277
*5741 CNC(=O)OCCSCCOC(=O)NC   11.514
*5757 CC(C)C(=O)C(C)(C)C    3.690
*5777 CCCCCC[CH]1CO1    3.182
*5803 CCCCCOC(=O)CC    3.141
*5818 CC(C)C[C](C)(O)C(C)=O    4.496
*5862 CCCCN=CCCC    1.575
*5892 CCO[CH]1CCCC[CH]1N    6.670
*5905 CCCCCNC(=O)[CH](C)O    7.801
*5913 CC[CH](C)CC[CH](N)C(O)=O    8.211
*5940 CC(CC(C)(C)C)=NNC(N)=O    8.272
*5988 CCCCOCCCC    2.326
*6013 CCOCC[CH](O)COCC    8.818
*6014 CCCCOS(=O)OCCCC    3.947
*6033 CCCCCCCCN    4.259
*6036 CC(C)(C)CC(C)(C)N    4.259
*6041 CCN(CC)C(C)(C)CO    8.259
*6042 CCCCNC(C)(C)CO    8.478
*6049 CCCCOCCOCCN    8.369
*6074 ON(O)NC(=N)NCCCCCCNC(=N)NN(O)O   34.382
*6078 [O-][N+](=O)N1C(=O)C2=C(C=CC=C2)C1=O    8.708
*6117 [O-][N+](=O)C1=CC2=C(C=CC=C2)N=N1    8.955
*6118 [O-][N+](=O)C1=CC2=C(C=C1)N=CC=N2    8.951
*6156 ON1C(=O)NC2=C(C=CC=C2)C1=O   12.140
*6190 O=CC1=CC=C(C=O)C=C1    7.475
*6258 COC(=O)C1=C(C=CC=C1)[N+]([O-])=O    6.863
*6260 CC(=O)OC1=C(C=CC=C1)[N+]([O-])=O    6.592
*6274 COC1=CC(=C(C=C1O)[N+]([O-])=O)C=O   12.487
*6277 COC1=C(C=C(C=O)C=C1O)[N+]([O-])=O   12.487
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*6304 O=C1CN(N=CC2=CC=CO2)C(=O)N1    9.471
*6327 N#CCNC1=CC=CC=C1    8.762
*6329 NC1=CNC2=C1C=CC=C2    9.504
*6332 CC1=CC=C2NC(=O)NC2=C1    9.254
*6337 NC(=S)NC(=O)C1=CC=CC=C1    9.996
*6348 C[C]1(NC(=O)NC1=O)C2=CC=CS2   10.039
*6351 CC(=O)NC1=C(C=CC=C1)[N+]([O-])=O    9.273
*6357 O=C1N[CH](CC2=CC=CO2)C(=O)N1    9.775
*6359 NC(=O)NC1=CC=C(C=C1)C(O)=O   14.393
*6385 CC1=C2NC(=N)SC2=CC=C1    8.873
*6390 CC1=NN=NN1C2=CC=CC=C2    8.611
*6395 NNC(=O)C1=NC2=CC=CC=C2N1   15.201
*6397 O=C(NNCC#N)C1=CC=NC=C1   16.959
*6415 NC(=S)NNC(=O)C1=CC=C(C=C1)[N+]([O-])=O   14.777
*6459 CC(=O)OC1=CC=CC=C1    4.188
*6471 COC(=O)C1=CC=C(S)C=C1    5.472
*6479 O[CH](C(O)=O)C1=CC=CC=C1    8.161
*6488 CC1=CC(=C(C=C1)C(O)=O)O    7.804
*6495 OC(=O)CC1=CC=C(O)C=C1   11.337
*6509 CC1=CC=CC(=C1O)C(O)=O    7.804
*6510 CS(=O)(=O)C1=CC=C(C=O)C=C1    8.507
*6518 O=C1OC(=O)[CH]2[CH]3CC[CH](O3)[CH]12    7.979
*6525 CS(=O)(=O)C1=CC(=CC=C1)C(O)=O   10.600
*6527 OC(=O)CS(=O)(=O)C1=CC=CC=C1   11.032
*6535 CC1=CC=C(C=N)C=C1    3.706
*6539 N#C[CH]1C[CH]2C[CH]1C=C2    4.544
*6596 OC(=O)CCC1=CC=NC=C1   10.115
*6622 C[CH](O)C1=CC(=CC=C1)[N+]([O-])=O    8.943
*6641 O[CH](CC1=CC=CC=N1)C(O)=O   10.921
*6653 COC1=CC(=C(OC)C=C1)[N+]([O-])=O    7.128
*6674 CC1=CC(=C(C#N)C(=N1)N)C   10.533
*6680 NC(=O)NN=CC1=CC=CC=C1   10.103
*6683 OCCN1N=NC2=C1C=CC=C2    9.818
*6692 [O-][N+]1=C(SC2=NCCN2)C=CC=C1   15.281
*6698 CC(=O)NNC(=O)C1=CC=NC=C1   13.206
*6719 CC(CSC1=C2N=CNC2=NC=N1)=NO   13.622
*6723 NNC(=S)NN=CC1=CC=C(C=C1)[N+]([O-])=O   12.250
*6745 CC(=O)C=NNC1=CC=CC=C1    7.165
*6750 O=C(NC1=CC=CC=C1)N2CC2    9.369
*6755 CC(=NNC1=CC=CC=C1)C(O)=O    9.000
*6767 CC1=CC=C(C=C1)[N+]2=NOC(=C2)O   17.016
*6768 CC1=CC=CC(=C1NC=O)NC=O   10.635
*6773 OC1=CC=CC2=C1N(CCC2)N=O    9.489
*6786 CCOC(=O)N(N=O)C1=CC=CC=C1    7.475
*6793 NNC(=O)[CH]1COC2=C(O1)C=CC=C2   13.428
*6809 NC(=O)NC1=C(OCC(O)=O)C=CC=C1   15.203
*6845 CC1=NC(=C2N=C(NC2=N1)SCCC(O)=O)O   20.183
*6888 CCOC(=O)C1=CC=CC=C1    4.336
*6908 CCOC1=CC(=CC=C1O)C=O    9.959
*6935 COC1=C(OC)C=C(C=O)C=C1    7.328
*6940 CCOC(=O)C1=CC(=CC=C1)O    8.320
*6942 CCC(=O)C1=C(O)C=C(O)C=C1    9.750
*6957 COC1=C(OC)C=C(C=C1)C(O)=O    9.421
*6960 CCOC1=CC(=CC=C1O)C(O)=O   12.053
*6961 COC1=C(O)C=CC(=C1)CC(O)=O   12.565
*6988 C1CNC2=C(C1)C=CC=C2    5.569
*6993 CN(C(C)=O)C1=CC=CC=C1    6.900
*7068 COC1=C(N)C=C(C=C1)C(C)=O    9.688
*7078 COC1=CC=C(CC(N)=O)C=C1   10.272
*7085 N[CH](CC1=CC=C(O)C=C1)C(O)=O   13.903
*7089 OC[CH](NC1=CC=CC=C1)C(O)=O   13.521
*7097 N[C](CO)(C(O)=O)C1=CC=CC=C1   14.356
*7103 COC1=CC=CC(=C1OC)C(N)=O   11.111
*7133 CC(C)=NNC(=O)C1=CC=NC=C1   10.863
*7142 NC(=O)NC(=O)NCC1=CC=CC=C1   13.445
*7176 C#CCCCCCC#C    1.963
*7197 CN(C(N)=O)C1=CC=C(C)C=C1    8.342
*7211 COC1=C(NC(C)=O)C=CC(=C1)N   12.889
*7214 NNC(=O)[CH](CO)C1=CC=CC=C1   15.738
*7225 CCC1(CC=C)C(=O)NC(=O)NC1=O   12.447
*7235 N[CH](CO)[CH](O)C1=CC=C(C=C1)[N+]([O-])=O   14.245
*7242 CC(C)NS(=O)(=O)C1=CC=CC(=C1)[N+]([O-])=O    8.190
*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
*7299 CN1C(=O)N(C)C2=C(N(C)C(=N2)NC(N)=O)C1=O   21.074
*7414 C[CH](N)[CH](O)C1=CC=CC=C1   10.405
*7424 COC1=CC=C(CCN)C=C1    7.319
*7437 COC(OC)C1=CC(=CC=C1)N    8.842
*7444 O=C(CSC#N)OC1CCCCC1    6.721
*7448 CNS(=O)(=O)C1=C(C)C=CC(=C1)C    5.947
*7460 C[CH](CC(O)=O)C(NC(C)=O)(C(O)=O)C(O)=O   21.326
*7495 CCN(CC)C1=C2N=CNC2=NC=N1   11.255
*7513 CCCCN1C=NC2=C1N=C(N)N=C2O   11.889
*7516 CNC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C   13.556
*7530 CCCCSC1=C2N=CNC2=NC(=N1)N    9.180
*7544 CCCCCC1=CN=CC=N1    5.000
*7611 C[CH]1CC=C(C)C[CH]1C=O    3.646
*7614 C[CH]1CCCC[C]1(O)C#C    5.848
*7621 C=CC(=O)OC1CCCCC1    3.775
*7639 CCOC(=O)CC(=C)C(=O)OCC    6.216
*7661 CCOC(=O)CC(O)=CC(=O)OCC    9.754
*7671 C[N+](C)(C)C1=CC=CC=C1   13.179
*7675 C=CCN(CC=C)CC=C    4.082
*7677 C1CN(CCO1)[CH]2CCC=C2    6.521
*7718 CCCC[C]1(NC(=O)NC1=O)C=NNC(N)=S   13.431
*7740 CC(C)C[CH](NCCC#N)C(O)=O   11.375
*7774 C[CH]1CCCC[C]1(O)C=C    5.069
*7794 CCCCCC(=O)OCC=C    3.146
*7819 COC[C]1(C)COC(=O)[CH](C)C1    5.428
*7822 CCC(OC(=O)CC)OC(=O)CC    5.886
*7826 CCOC(=O)CCCC(=O)OCC    5.886
*7842 OCC1(CO)CCC(CO)(CO)C1=O   12.670
*7853 C1CCC2(CC1)CCCN2    4.629
*7908 CCCCOCCOCCSC#N    7.606
*7931 CCOC(=O)[CH](C)CC(C)=NNC(N)=O   11.019
*7962 CCOC(=O)NC[CH](C)NC(=O)OCC    9.297
*7969 C=CC[N+]12CN3CN(CN(C3)C1)C2    8.810
*7971 CN(C)C1=NC(=NC(=N1)N(C)C)N(C)C    7.764
*7987 CC(C)C1CCC(O)CC1    4.939
*7988 C[CH](CC=O)CC(C)(C)C    3.307
*8033 CCCCC[C](C)(O)CC(O)=O    9.836
*8047 COCCC(=O)OCC[CH](C)OC    7.127
*8050 CCS(=O)(=O)C1(CCCC1)S(=O)(=O)CC    8.893
*8067 CN1CCCCCC[CH]1CO    8.492
*8116 CCCC[CH](C)CCC   -0.602
*8117 CC(C)(C)CC(C)(C)C   -0.602
*8118 CCCCCCC(C)C   -0.602
*8130 CCCCNC(=S)NCCCC    5.380
*8144 CCCCCCC(C)(C)O    4.385
*8145 CCC(O)(CC)CC(C)C    4.385
*8169 CCSCCS(=O)(=O)CS(=O)(=O)CCSCC   12.728
*8186 CC[CH](C)NN([CH](C)CC)C(N)=O   10.396
*8221 OC(=O)C1=C(SN=N1)C2=CC=CC=C2   10.570
*8248 OC1=CC2=C(C=CC(=O)O2)C=C1O   13.124
*8264 OC1=CC2=C(C=C1)N=CC=C2   10.145
*8277 OC(=O)CC1=CC=C(C=C1)C#N    9.370
*8278 OC(=O)C1=CC2=CC=CC=C2N1   10.750
*8281 OC1=C2C=CC=CC2=C(O)N=C1   14.128
*8299 OS(=O)(=O)C1=C2C=CN=CC2=CC=C1   12.492
*8301 OC(=O)C=CC1=CC=CC(=C1)[N+]([O-])=O   10.292
*8303 OC(=O)C=CC1=C(C=CC=C1)[N+]([O-])=O   10.292
*8355 O=S(=O)(NC1=NC=CS1)C2=CC=CC=C2    9.780
*8367 CC(=O)NC1=C(C=CC(=C1)[N+]([O-])=O)C(O)=O   15.310
*8369 COC1=C(O)C=CC(=C1[N+]([O-])=O)C=C[N+]([O-])=O   13.074
*8380 CC(=O)C1=NN(N=N1)C2=CC=CC=C2   11.393
*8384 OC(=O)C[CH](SC1=NC=NC2=C1N=CN2)C(O)=O   19.783
*8414 CC(=O)C1=CC=C(C=C1)C(O)=O    9.706
*8418 OC(=O)C=CC1=C(O)C=CC=C1   11.870
*8421 CC(=O)OC1=C(C=O)C=CC=C1    6.790
*8475 CC(=O)N=CC1=C(O)C=CC=C1   10.220
*8479 COC1=C(OC)C=C(C=C1)C#N    6.740
*8542 CNC(=O)OC1=CC2=C(OCO2)C=C1   10.428
*8550 CCN1C(=CC(=O)C=C1C(O)=O)C(O)=O   15.939
*8555 S=C1NC[CH](S1)C2=CC=CC=C2    5.724
*8559 CC(=O)N1C(=N)NC2=C1C=CC=C2   12.010
*8563 CC(=O)NC1=CC2=C(NC(=N)S2)C=C1   14.857
*8583 CC1=C(C(=C(C(=C1[N+]([O-])=O)C)[N+]([O-])=O)C)[N+]([O-])=O    9.352
*8594 CC1=NC2=C(C=CC=C2)N=C1C    6.460
*8628 C[C]1(NC(=O)NC1=O)C2=CC=CC=C2    9.775
*8655 OC(=O)C=CC(=O)NCC1=CC=CN=C1   17.194
*8657 COC(=O)NN=CC1=CC2=C(OCO2)C=C1   11.003
*8667 CC1=NN(C(=O)C1)C2=CC=C(C=C2)S(O)(=O)=O   13.376
*8692 COC1=CC=C(C=C1)N=N[CH](C#N)C(N)=O   14.362
*8698 OC(=O)CCC(=NNC1=CC=C(C=N1)[N+]([O-])=O)C(O)=O   19.292
*8792 COC1=CC(=CC=C1O)CC(=S)C(O)=O   12.636
*8815 CC1=C(C)C=C(CC#N)C=C1    5.523
*8817 C[N+]1=CC2=CC=CC=C2C=C1   10.833
*8834 CON=C(C)C(=O)C1=CC=CC=C1    5.301
*8836 COC1=CC2=C(C=C1)C(=O)[CH](N)C2    9.237
*8843 CC(=O)NCC(=O)C1=CC=CC=C1   10.185
*8869 CNC(=O)OC1=CC=C(C=C1)C(C)=O   10.233
*8908 CC(C)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O    6.618
*8929 CC1=NC2=CC=CC3=C2N1CCN3    8.530
*8945 CCOC(=O)NC1=NC2=CC=CC=C2N1   11.706
*8957 CC(C)=NNC1=NC2=CC=CC=C2S1    9.206
*8961 NC(=O)C1=C(N)N(CC2=CC=CC=C2)N=N1   15.425
*8982 CN1C=[N+](C)C(=O)C2=C1C=CC=C2   16.268
*8983 CN1NC(=O)C[CH]1C2=CC=CC=C2   11.096
*9003 CN(C(=O)CSC(N)=O)C1=CC=CC=C1    8.676
*9077 CCOC(=O)C1=NC2=C(N1)N(C)C(=O)N(C)C2=O   13.845
*9078 CN1C(=O)N(C)C2=C(N(C)C(=N2)CC(O)=O)C1=O   15.532
*9141 CC[CH](C(O)=O)C1=CC=CC=C1    7.108
*9143 CC1=C(C)C(=O)C(=C(C)C1=O)C    8.133
*9165 CC(C)C1=CC=CC(=O)C(=C1)O    4.526
*9208 CC(=O)OCCOC1=CC=CC=C1    5.996
*9216 CC(C)OC(=O)C1=CC=C(O)C=C1    8.196
*9236 COC1=CC(=CC(=C1C=O)OC)C    7.285
*9246 COC(=O)[CH](CO)C1=CC=CC=C1    9.163
*9249 COC1=C(CCC(O)=O)C=CC=C1    8.460
*9268 CCOC1=CC=CC(=C1)OCC(O)=O    8.879
*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
*9329 OCCCN=CC1=CC=CC=C1    7.599
*9422 OCCNC(=O)COC1=CC=CC=C1   13.438
*9436 CCOC(=O)C1=C(NC(=C1C)C)C(O)=O   11.721
*9458 CC(C)(NNC1=CC=CC=C1)C#N   10.893
*9459 C1CCN(C1)N=NC2=CC=CC=C2    6.380
*9480 CCS(=O)(=O)C1=CC=C(C=C1)C=NNC(N)=S   10.979
*9497 NC1=C2N=CN(C3CCCC3)C2=NC=N1   11.688
*9529 C1CN(CCN1)C2=CC=CC=C2    7.947
*9568 CCOC1=C(NCC(N)=O)C=CC=C1   12.002
*9578 COC(=O)C1=C(C)NC(=C1C)C(C)=NO   11.203
*9580 CCOC(=O)[CH](N)[CH](O)C1=CC=NC=C1   14.611
*9583 CC(=O)NCCNS(=O)(=O)C1=CC=CC=C1   12.387
*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
*9601 CCCC1=NC2=C(N1)N(C)C(=O)N(C)C2=O   11.487
*9603 CCSC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C   11.860
*9617 CCCCCSC1=C2C=NNC2=NC=N1    9.162
*9645 CCCCOC1=CC=CC=C1    3.127
*9665 CC(C)C1=C(O)C=C(C)C=C1    5.921
*9671 CCOC1=CC(=CC=C1)OCC    4.479
*9683 CCOC[CH](O)C1=CC=CC=C1    8.348
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*9728 C=CCOC(=O)CSCC(=O)OCC=C    8.115
*9743 COC(=O)[CH](OC(C)=O)[CH](OC(C)=O)C(=O)OC    9.804
*9750 CCC1=C(C=CC=C1)N(C)C    3.903
*9772 C[N+](C)(C)C(=O)C1=CC=CC=C1   16.114
*9778 CN(C)C1=C(CCO)C=CC=C1    8.338
*9793 CC[C](O)(CN)C1=CC=CC=C1   10.281
*9803 CC(=C)CN=C[CH]1CCC=CO1    3.024
*9811 OCCN(CCO)C1=CC=CC=C1    9.695
*9850 CCCCCOC(=O)NC1=NC=CC=N1    6.886
*9855 CCCCNC1=C2C=NN(C)C2=NC=N1   11.121
*9862 CC(C)CNC1=C2C=NN(C)C2=NC=N1   11.121
*9899 NCCNCCC1=CC=CC=C1    9.614
*9928 CCC[CH](C)C1(C)C(=O)NC(=O)NC1=O   12.197
*9955 CN(C)CCCNC1=C2N=CNC2=NC=N1   15.870
*9958 CC=CC=NNC(=N)C(=N)NN=CC=CC   10.550
*9968 CC(=C)[CH]1CC[C]2(C)O[CH]2C1    3.347
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*9987 C[CH]1CC[CH]2[CH](C)C(=O)OC[CH]12    3.606
*9996 COC(=O)C=CC1CCCCC1    3.580
*9999 COC1CC2CC1C3COCC23    6.102
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*11050 CC(=O)NC1=NC(=CS1)C2=CC=CC=C2   12.472
*11058 COC1=CC2=C(C=CN=C2C=C1)C(N)=O   13.777
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*11302 COC1=CC(=CC(=C1OC)[N+]([O-])=O)C(=O)C(C)=NO   12.666
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*11669 OC1=C2N=CN(C3CCCCC3)C2=NC=N1   12.096
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*12205 CC(C)(C)C(=O)C[N+]1=CC=CC=C1   12.625
*12231 CCN(CC)S(=O)(=O)C1=CC=C(C)C=C1    5.402
*12245 CCOC(=O)[CH]1CN(CC(C)C)C(=O)C1=O   12.155
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*12269 CCCNC1=NC=C2N=CN(CCC)C2=N1    7.441
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*12351 CC(C)=CCCC(C)=CCOC=O    2.480
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*12368 CCOC(=O)[CH]1CCCCCCC1=O    6.545
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*12517 CCCCOC(=O)CC(=O)OCCCC    5.640
*12518 CCCCCC[CH](C)C(C(O)=O)C(O)=O   10.406
*12544 OCCN1CCCC12CCCCC2    8.602
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*12894 OC(=O)NC1=CC2=C(C=CC=C2)C=C1O   15.159
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*13015 CC1=CC=C(OC2=C3N=CNC3=NC=N2)C=C1   10.360
*13018 O=C(NN=CC1=CC=NC=C1)C2=CC=NC=C2   15.087
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*13199 COC1=CC=C(C=C1OC)C=C2SC(=O)NC2=O    9.438
*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
*13235 CC(=NNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O)C2=CC=CS2    9.587
*13237 NC1=C(C=C(C=C1)N=NC2=CC=C(C=C2)S(O)(=O)=O)S(O)(=O)=O   20.947
*13255 COC1=CC=C(NC2=C3N=CNC3=NC=N2)C=C1   14.640
*13257 NC1=NC2=C(N=CN2CC3=CC=CC=C3)C(=N1)O   13.351
*13265 NC1=C2N=C(NC2=NC=N1)SCC3=CC=CC=C3   15.783
*13271 CC1=CC2=C(C=C1)C=C(C)C=C2    3.193
*13287 CCNC(=O)C1=CC2=C(C=CC=C2)N=C1   12.084
*13302 O=C1NC(=O)[C](N1)(C2CC2)C3=CC=CC=C3    9.883
*13306 O=C1NC(=O)[C]2(CCCC3=C2C=CC=C3)N1    9.963
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*13322 CC=CC=CC(=O)NC1=CC=C(C=C1)[N+]([O-])=O   10.595
*13348 CC(=O)NC1=C2C=C(C=CC2=C(N)C=C1)S(O)(=O)=O   19.002
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*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
*13460 CC[CH](C)N1C(=O)C2=CC=CC=C2C1=O    7.280
*13475 CCOC(=O)[C](C)(C#N)C1=CC=CC=C1    7.987
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*13485 CC(=O)NC1=CC=C(C=C1)C(=O)CCC(O)=O   15.955
*13526 CC(C)[CH]1C=CC2=C1C=CC=C2    2.431
*13533 CC1=CC(=C2N=C(C)C(=NC2=C1)C)C    6.374
*13540 C1C[CH](OC=C1)C2NC3=CC=CC=C3N2    7.491
*13598 NC(=O)SCC(=O)NC1=CC=CC(=C1)NC(=O)CSC(N)=O   22.648
*13604 CNC1=CC(=NC(=N1)N)SCC2=CC=CC=C2    9.585
*13607 CCNC1=C(N=NC2=CC=CC=C2)C(=NC(=N1)N)O   14.971
*13630 OC(=O)CC1=CC2=C(CCCC2)C=C1    7.379
*13658 CCOC(=O)C1=CC=C(OCC=C)C=C1    5.446
*13672 CC(=O)CCC1=CC=C(OC(C)=O)C=C1    7.194
*13676 CCOC(=O)C=CC1=CC=C(OC)C=C1    6.488
*13692 CC1=CC=CC(=C1)C[CH](CC(O)=O)C(O)=O   12.194
*13698 CC[CH](C)OC(=O)C1=C(C=CC=C1)C(O)=O    8.788
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*13717 COC1=C(OC)C(=CC(=C1)CC(=O)C(O)=O)OC   13.439
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*13788 COC1=C2C=[N+](C)CCC2=CC3=C1OCO3   16.025
*13795 C[CH](CC1=CC=C(C=C1)C(O)=O)NC(C)=O   13.153
*13813 CC1=CC=C(C=C1)C2OCC(C)(CO2)[N+]([O-])=O    8.699
*13820 CCCCCOC(=O)C1=CC(=CC=C1)[N+]([O-])=O    6.372
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*13832 CCOC(=O)C1=C(C)C(=C(N1)C=O)C(=O)OCC   11.738
*13856 C=CCN1C(=O)N(CC=C)C(=O)N(CC=C)C1=O   12.680
*13884 C1CCC(CC1)C2=CC=CC=C2    1.967
*13897 CN[CH](CO)CC1=CNC2=C1C=CC=C2   13.848
*13902 CC1=CC(=C(C(=C1)C)C(=O)CSC(N)=N)C   12.363
*13906 CC(=O)N[CH](CC1=CC=CC=C1)C(C)=NO   12.554
*13929 CC1=CC=C2N=C(NC2=C1)[CH](O)[CH](O)[CH](O)CO   14.728
*13944 OC(=O)C=CC(=O)NCCCCNC(=O)C=CC(O)=O   21.733
*13963 CN(C)C1=NC(=C2N=C3CCCCC3=NC2=N1)N   11.536
*13993 CCCC(=O)C1=C(OC)C=CC(=C1)C    5.947
*13994 CC(C)(C)COC(=O)C1=CC=CC=C1    3.967
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*15479 C(CSC1=C2N=CNC2=NC=N1)OC3=CC=CC=C3   11.889
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*15659 CN(C)C1=C2C=NN(C3=CC=CC=C3)C2=NC=N1   13.947
*15679 NC1=NC2=C(N=CN2)C(=N1)SCCC3=CC=CC=C3   10.519
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*16200 CCCC(=O)OC1=C(C=CC=C1)C(C)C    3.654
*16224 C[CH]1CCO[CH](CCC2=CC=CC=C2)O1    5.253
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*16309 COC1=CC=C(C=C1OC)[CH]2OCC[CH](C)O2    7.955
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*16421 CCCCCOC1=CC=C(C=C1)C=NNC(N)=S    8.203
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*16450 CCCSC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=NC(=N1)N   18.103
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*16821 CCCC[CH](CC)COC(=O)CCCC    2.526
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*16850 CC(C)CO[CH]1CCC[CH](OCC(C)C)O1    6.376
*16866 CCCCCCCCCCNC(=O)[CH](C)O    7.186
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*16872 CCCCCCCCCCCCOC(N)=O    6.049
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*17142 CC(=O)N1C2=C(C=CC=C2)C3=CC=CC=C13    7.955
*17151 [O-][N+](=O)C(=CC1=CC=CC=C1)C2=CC=CC=C2    6.807
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*17213 CC1C2=C(C=CC=C2)C3=CC=CC=C13    3.654
*17218 CC1=NC2=C(C=CC=C2)C3=C(N)C=CC=C13   10.582
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*17242 O=C(NC1=CC=CC=C1)C(=O)NC2=CC=CC=C2   11.314
*17246 O=CNC1=CC=C(C=C1)C2=CC=C(NC=O)C=C2   11.793
*17251 C[C]1(NC(=O)NC1=O)C2=C3C=CC=CC3=CC=C2   10.785
*17270 NC1=C(SSC2=C(N)C=C(C=C2)C(O)=O)C=CC(=C1)C(O)=O   20.611
*17276 NC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(N)C=C2)C(O)=O)C(O)=O   22.900
*17320 COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2    6.939
*17323 CC1=CC=CC(=C1)OC(=O)C2=CC=CC=C2    4.848
*17339 OC(=O)CC1=CC=C(SC2=CC=CC=C2)C=C1    9.588
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*17351 CC(=O)C1=CC(=C2C=CC=CC2=C1O)C(C)=O    9.642
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*17373 O=S(=O)(OCC1=CC2=C(OCO2)C=C1)C3=CC=CC=C3   10.121
*17376 C[N+]1=C2C=CC=CC2=C3C=CC=CC3=C1   11.845
*17377 NC1=CC2=C(C=C1)C3=C(CC2)C=CC=C3    7.105
*17389 CC(=O)NC1=CC=C(C=C1)C2=CC=CC=C2    9.324
*17420 C1OC2=CC=C(CNC3=CC=CC=C3)C=C2O1    9.407
*17427 COC1=CC=C(C=C1)C(=O)CC2=CC=CN=C2   10.213
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*17465 CC(=NNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O)C2=C(O)C=CC=C2   13.304
*17475 OC(=O)CNC1=C2N=CN(CC3=CC=CC=C3)C2=NC=N1   16.405
*17494 O=NN(CC1=CC=CC=C1)CC2=CC=CC=C2    7.873
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*17536 CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2)S(N)(=O)=O   12.975
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*24322 CC1(C)O[CH]2O[CH]3[CH](CNCCO)O[CH](O[CH]3[CH]2O1)C4=CC=CC=C4   20.618
*24324 COC1=CC(=C2N=CC=CC2=C1)NCCC[CH]3CCCCN3   13.764
*24333 COC1=CC(=C2N=CC=C(C)C2=C1)NC(=O)CCN(CCO)CCO   22.097
*24353 CCC[CH](C)OC(=O)C1=CC=CC(=C1)NC(=O)CN2CCOCC2   14.077
*24382 C[C]12CC[CH]3[CH](C[CH](O)C4=CC(=O)CC[CH]34)[CH]1CC[CH]2O   10.012
*24405 CCCC[CH](CC)CNC(=O)C=CC1=CC=C(OC)C=C1    9.604
*24409 CCN(CC)C(=O)C1=CC(=C(OCC=C)C(=C1)CC)CC    8.503
*24410 CC(C)C1=CC(=C(C=C1)C(C)C)C(=O)CN2CCOCC2    8.599
*24436 CCN(CC)CCCNC1=C2N=C(OC)C=CC2=CC(=C1)OC   13.580
*24468 COC(OC)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](COC(C)=O)OC(C)=O   16.796
*24472 CCCCC1(CC)COC(C)(CC2=CC=CC=C2)OC1    4.636
*24487 CCCCCCCCCCOC(=O)C1=CC=C(OC)C=C1    4.580
*24488 CCCCC[CH](CCC)COC(=O)COC1=CC=CC=C1    4.162
*24491 CCCCCCCCCCCC(=O)OC1=CC=C(O)C=C1    6.939
*24499 CCOCCOCCO[CH](C)O[CH](C)CC1=CC2=C(OCO2)C=C1   11.449
*24510 CCCCN(CCCC)C(=O)C[C](C)(O)C1=CC=CC=C1   11.812
*24512 CCN(CC)CCOC(=O)C1=C(C)C(=C(C)C(=C1C)C)C    7.181
*24524 CC(C)COC(=O)C1=CC=C(NC(=O)CNCCCN(C)C)C=C1   15.437
*24562 CCCCCC[CH](C)C1=CC(=C(O)C(=C1)CN(C)C)C    8.565
*24563 CCN(CC)CCOC1=C(C=CC=C1C(C)C)C(C)C    5.854
*24575 CCCCCCCC[N+]1(C)CCC[CH]1C2=CN=CC=C2   15.804
*24584 O=C(CCCCCC1CCCCC1)OC2CCCCC2    2.622
*24607 CCC[CH](C1CCCC1)C(=O)OCCN2CCCC2(C)C    6.173
*24627 C[CH]1C[CH](CC(C)(C)C1)N(N=O)[CH]2C[CH](C)CC(C)(C)C2    4.429
*24647 CCCCCCC(=O)C[CH](O)[CH](O)CCCCCCCC(O)=O   13.585
*24665 C(CCCCCN1CCOCC1)CCCCN2CCOCC2   10.963
*24686 CCCCCCCCCCCCCCCC[CH](O)C(O)=O    5.100
*24687 CCCCCC[CH](O)CCCCCCCCCCC(O)=O    8.730
*24733 CC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C4=C(C=CC=C4)C=C3    9.466
*24739 OC1=C(CC2=C(O)C3=C(OC2=O)C=CC=C3)C(=O)OC4=C1C=CC=C4   12.866
*24745 O=C1C2=C(C=CC=C2)N(C3=CC=CC=C3)C4=C1C=CC=C4    8.053
*24821 C(C1=C2C=CC=CC2=NC=C1)[N+]3=CC4=C(C=CC=C4)C=C3   15.821
*24851 NC1=NC2=C(N=CN2CC3=CC=CC=C3)C(=N1)SCC4=C(C=CC=C4)[N+]([O-])=O   12.810
*24861 O=S(=O)(SC1=CC=CC=C1)C(C2=CC=CC=C2)C3=CC=CC=C3    7.903
*24868 COC(=O)[CH](OC(=O)C1=CC=CC=C1)[CH](OC(=O)C2=CC=CC=C2)C(O)=O   13.714
*24870 SC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3    5.863
*24882 O=C1[CH](CCC2=C1C=CC3=C2C=CC=C3)[N+]4=CC=CC=C4   14.900
*24892 CCOC(=O)C1=C2C=C(C)C=CC2=NC(=C1)C3=CC=CC=C3    9.302
*24914 NC1=CC=C(C=C1)C(C2=CC=C(N)C=C2)=C3C=CC(=N)C=C3   12.220
*24923 CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NCC4=CC=CC=C4   16.309
*24949 COC1=C(OC(=O)C=CC2=CC=CC=C2)C=CC(=C1)CC=C    6.883
*24982 CN(CCOC(=O)C1=CC=C(C=C1)[N+]([O-])=O)CCOC(=O)C2=CC=C(C=C2)[N+]([O-])=O   15.652
*24983 NC1=NC(=C2N=C(CNC3=CC=C(C=C3)C(=O)N[CH](CCC(O)=O)C(O)=O)C=NC2=N1)O   32.656
*24995 CN1C(=NC2=C1C=CC=C2)CCCC3=NC4=CC=CC=C4N3C    8.750
*25032 CC1=CC2=C(C=CC=C2)C=[N+]1CCCC3=CC=CC=C3   11.636
*25071 NC(=O)CCN(CCC(N)=O)C1=CC2=C(C=C1)C3=CC=CC=C3C2   15.767
*25106 COC1=C(OC)C=C(C=C1)C=NNC(=S)NN=CC2=CC(=C(OC)C=C2)OC   13.045
*25121 CCOC(=O)[CH](CC)C(O)(C1=CC=CC=C1)C2=CC=CC=C2    9.886
*25157 O[CH](CN1CCOCC1)C(C2=CC=CC=C2)C3=CC=CC=C3   12.979
*25176 CCOC(=O)CCC1=C(NC2=C1C(=CC=C2)C(=O)OCC)C(=O)OCC   12.523
*25177 CCOC(=O)[CH](C#N)[CH](C(C(=O)OCC)C(=O)OCC)C1=CC=CC=C1   12.863
*25195 C[CH]1CN(CCN1)CC(O)(C2=CC=CC=C2)C3=CC=CC=C3   14.693
*25206 CCOC1=CC=C(NC(=O)NC2=CC(=CC=C2C)C(C)C)C=C1   10.728
*25210 CCOC(=O)C1=C(C)NC(=C1C)C=C2N=C(C)C(=C2C)C(=O)OCC   10.740
*25234 CC[CH]([CH](CC)C1=CC=C(O)C=C1)C2=CC=C(C)C=C2    6.644
*25236 CC1=CC(=CC2=C1[CH]3CC[C]4(C)[CH](O)CC[CH]4[CH]3C=C2)O   10.780
*25248 CC12CC3OC34C(CCC5=CC(=O)CCC45C)C1CCC2=O   10.344
*25250 C[C]12CC[C]3(O)[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CCC2=O   12.200
*25251 C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CCC2=O   12.200
*25298 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   24.599
*25311 CCOC(=O)C1=C(C)C(=C(C)N1)CC2=C(C)NC(=C2C)C(=O)OCC   12.830
*25312 CCOC(=O)C1=C(C)NC(=C1C)CC2=C(C)C(=C(C)N2)C(=O)OCC   12.830
*25320 CC(C)(C)C1=C(O)C(=CC(=C1)CC2=CC=CS2)C(C)(C)C    6.742
*25323 CC(C)=C[CH]1[CH](C(=O)SCC2=C(C)C=CC(=C2)C)C1(C)C    4.567
*25349 CC1=CC(=C(C[N+](C)(C)CC2=CC=CC=C2)C(=C1)C)C   14.636
*25352 CC[N+](C)(CC)[CH](CC1=CC=CC=C1)C2=CC=CC=C2   14.396
*25412 CCCCCCC(C(=O)OCC)(C(=O)OCC)C1=CC=CC=C1    6.488
*25414 CCCCCCC1CCN(CC1)CC(=O)C2=CC=CC=C2    6.261
*25419 CC1=CC2=C(C(=C1)C)[C](O)(CC(C)(C)C2)[CH]3CCCCN3    9.907
*25441 COC1=CC(=C2N=CC=CC2=C1)NCCN(CC(C)C)C(C)C   13.067
*25445 CCCNCCCCCCNC1=C2N=CC=CC2=CC(=C1)OC   13.285
*25451 CCCN(CCC)C[CH](O)CNC1=C2N=CC=CC2=CC(=C1)OC   17.503
*25455 CCCCCCCCCCCCN1C=NC2=C1C=CC=C2    3.752
*25458 CCN(CC)CCNC(=O)C1(CCCCC1)C2=CC=CC=C2   11.379
*25477 CCCCCCCCCC1=CC=C(OC(=O)CCC)C=C1    2.914
*25504 CCCCCCCCCCCCC(=O)OCC1=CC(=O)C(=CO1)O    6.453
*25535 C[C]12CC[CH]3[CH](CC[CH]4C[CH](O)CC[C]34C)[CH]1C[CH](O)C2    6.215
*25536 CC[CH]1C[CH](C(C)=C)C(=C1C)CC[CH](C)OC(=O)C(C)C    2.110
*25554 CCCCNC1=CC=C(C=C1)C(=O)NCCSCCN(CC)CC   15.839
*25559 CC[N+](CC)(CCC#CC[N+](CC)(CC)CC#C)CC#C   19.569
*25587 CCOC(=O)C(CCC(C)(C)C)(CCC(C)(C)C)C(=O)OCC    4.658
*25594 CCCCCCCCCCCC(=O)O[CH](C)C(=O)NCCCC    7.660
*25596 CCCCCCCCCCCC[CH]1CCC[CH](C)C1   -0.004
*25600 CCCCCCCCCCCC1=NC(C)(C)CN1C[CH](C)O    8.565
*25604 CCCCCCCCCCCCCCCCCCOC=O    1.527
*25653 O=C1N(CC#CCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=C1C=CC=C4   18.201
*25658 OC1=C2C=CC3=CC=CC4=CC=C(C5=C1C=CC=C5)C2=C34   10.074
*25726 OC1=CC=C2C=CC=CC2=C1N=NC3=CC4=C(C=C(C=C4C=C3)S(O)(=O)=O)S(O)(=O)=O   23.498
*25746 OC1=C(C2=C(C=CC=C2)C=C1)C3=C4C=CC=CC4=CC=C3O   13.370
*25747 OC(=O)CC1=C2C=C3C=CC4=C(C=CC=C4)C3=CC2=CC=C1   10.386
*25752 O=C1O[C](SC2=CC=CC=C2)(C3=CC=CC=C3)C4=C1C=CC=C4    8.660
*25762 OC1=CC=C(C=C1)C2(OC(=O)C3=C2C=CC=C3)C4=CC=C(O)C=C4   15.047
*25765 OC1=CC=C(C=C1)C(=O)C2=CC=CC(=C2)C(=O)C3=CC=C(O)C=C3   17.120
*25798 O=C(C[N+]1=C2C=CC=CC2=NC=C1)C3=CC4=C(C=CC=C4)C=C3   16.102
*25808 OC1=C(C=CC=C1)C=NC2=CC=C(C=C2)N=CC3=C(O)C=CC=C3   13.710
*25851 CN1C2=C(C=CC=C2)C(O)(C3=CC=CC=C3)C4=C1C=CC=C4   10.590
*25855 O[C](CC1=CC=CC=N1)(C(=O)C2=CC=CC=C2)C3=CC=CC=C3   10.762
*25860 CC1=CC=C(C=C1)S(=O)(=O)NC2C3=C(OC4=C2C=CC=C4)C=CC=C3    9.179
*25863 COC(=O)CCC1=CC=C(C=C1)C(=O)CN2C(=O)C3=C(C=CC=C3)C2=O   12.682
*25892 CC1=C(C=CC=C1)N=NC2=CC(=C(C=C2)N=NC3=C(O)C=C(O)C=C3)C   15.277
*25908 NC1=NC=CC(=N1)NC2=CC=C(OC3=CC=C(NC4=CC=NC(=N4)N)C=C3)C=C2   21.235
*25922 O[CH](C1=CC=CC=C1)C2=C(C=CC=C2)[CH](O)C3=CC=CC=C3   10.243
*25938 OCC1=CC(=C2C(=O)C3=CC=CC=C3C(=O)C2=C1)OC[CH](O)[CH](O)[CH](O)C=O   17.467
*25939 COC(=O)[CH](OC(=O)C1=CC=CC=C1)[CH](OC(=O)C2=CC=CC=C2)C(=O)OC   11.210
*25949 O=C(C1=CC=CC=C1)C2=C[N+](=CC=C2)CCC3=CC=CC=C3   14.236
*25963 CC1=C(N)C=CC(=C1)C(C2=CC=C(N)C=C2)=C3C=CC(=N)C=C3   12.177
*25977 CC(=O)CC(=O)NC1=CC=C(C=C1)C2=CC=C(NC(=O)CC(C)=O)C=C2   18.410
*26001 CCOC(=O)[CH]([CH](OC(C)=O)C1=CC2=C(OCO2)C=C1)C3=CC=CC=C3   11.254
*26031 CN(C)C1=CC=C(C=C1)C=CC2=C3C=CC=CC3=[N+](C)C=C2   14.271
*26052 CC(=NNC(=O)CSCC(=O)NN=C(C)C1=CC=CC=C1)C2=CC=CC=C2   14.627
*26067 O=C(CCCCCCC(=O)C1=CC=CC=C1)C2=CC=CC=C2    8.268
*26122 CCCCCCOC(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2    9.635
*26152 C[N+]1(C)CCN(CC1)C(=O)C2C3=C(C=CC=C3)C4=CC=CC=C24   21.592
*26156 CN(C(=O)CCCCC(=O)N(C)C1=CC=CC=C1)C2=CC=CC=C2    9.094
*26171 CC1=CC=CC(=C1C)NC(=O)OCCOC(=O)NC2=C(C)C(=CC=C2)C   10.695
*26172 C(CNC[CH]1COC2=C(O1)C=CC=C2)NC[CH]3COC4=C(O3)C=CC=C4   15.951
*26238 O[CH]([CH](NC1CCCCC1)C2=CC=CC=C2)C3=CC=CC=C3   11.019
*26245 C[C](CN1CCCC1)(OC2=CC=CC=C2)[CH](O)C3=CC=CC=C3   12.072
*26246 CCCCN(CCO)[CH](C(=O)C1=CC=CC=C1)C2=CC=CC=C2   12.051
*26257 COC1=C(C=CC=C1)[CH](O)[CH](N2CCCC2)C3=C(OC)C=CC=C3   13.503
*26265 CCN(CC)CCCOC(=O)C1=CC2=CC=CC(=C2OC1=O)CC=C   10.635
*26275 C[CH](N1CCN(CC1)[CH](C)C2=CC=CC=C2)C3=CC=CC=C3    9.914
*26286 CN(C)C1=CC=C(C=C1)C(C)(C(C)=O)C2=CC=C(C=C2)N(C)C    9.967
*26292 CCC1C(O)N2C3CC1C4C(O)C5(CC24)C3N(C)C6=CC=CC=C56   12.573
*26298 CCN(CC)C1=CC=C(NC(=O)C2=CC(=C(OC)C(=C2)OC)OC)C=C1   14.149
*26304 OC1=C(C=CC=C1)C=NCCNCCNCCN=CC2=C(O)C=CC=C2   20.570
*26326 CCCC1=C(O)C=C(CSCC2=CC=C(C(C)C)C(=C2)O)C=C1   12.678
*26349 CC(C)C1=CC2=C(C=C1)[C]3(C)CCC[C](C)(N=C=O)[CH]3CC2    3.521
*26374 O[CH]([CH]1CCCCN1)C2=C3C=CC=CC3=NC(=C2)N4CCCCC4   15.851
*26379 CCCCNC1=CC=C(C=C1)C2=CC=C(NCCCC)C=C2    8.866
*26392 CC(C)NS(=O)(=O)C1=CC=C(OCCOC2=CC=C(C=C2)S(=O)(=O)NC(C)C)C=C1   12.775
*26407 CC(=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)C[C]4(C)[CH]3CC[C]12C    7.311
*26452 C[CH](CC1=CC2=C(C=C1C)C(C)(C)CCC2(C)C)C(C)=O    4.640
*26456 O=C(CCCCCC1CCCCC1)OCCC2=CC=CC=C2    3.851
*26463 CC(C)C1=CC2=CC[CH]3[C](C)(CCC[C]3(C)C(O)=O)[CH]2CC1    5.170
*26487 CCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCC    5.420
*26511 CCCOC1=CC(=C(C(=O)OCCCN2CCC[CH]2C)C(=C1)C)C    8.401
*26520 CCC(C)(C)NCCCCCNC1=C2N=CC=CC2=CC(=C1)OC   13.162
*26537 C[CH](N1CCN(C)CC1)[C](O)(C2CCCCC2)C3=CC=CC=C3   12.876
*26542 CCCCOC(=O)C1=CC=C(NC(=O)CCCCN(CC)CC)C=C1   12.721
*26556 CCCCCCCCCCCCC1=CC=C(C=C1)C(C)=O    3.613
*26572 CCCCCCCCCCC[CH]1OC[CH](O1)C2=CC=CC=C2    4.391
*26595 C[CH]1CC[C]2(C)[CH](CC[CH]3[CH]4CC[CH](O)[C]4(C)CC[CH]23)C1    4.654
*26623 O=C(CCCCCCCCC(=O)N1CCCCC1)N2CCCCC2    9.315
*26634 CCCC[CH](C)CCOC(=O)C=CC(=O)OCC[CH](C)CCCC    5.135
*26649 CCCCCCCCCCCCCCCCCCSC1=NNC(=S)S1    4.547
*26663 CC1CCC(CC1)CCN(C)CCC2CCCCCCC2    3.057
*26676 CCCCCCCCCCCCCCCC(=O)OCCCC    1.664
*26677 CCCCCCCCCCCCCCCCCCOC(C)=O    1.664
*26696 CCCCCCCCCCCCCCCCNC(=O)NCCC    6.664
*26702 CCCCCCCCCCCCCCCCCCN(C)C    2.346
*26720 O=C1N(C2C3=C(OC4=C2C=CC=C4)C=CC=C3)C(=O)C5=C1C=CC=C5   10.839
*26749 CC1=CC=C(NC2=C3C(=O)C4=CC=CC=C4C(=O)C3=C(O)C=C2)C=C1   13.048
*26837 OC(C(=O)NN=CC1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3   11.609
*26863 OC1=C(C=CC=C1)C2SC(SC(S2)C3=C(O)C=CC=C3)C4=C(O)C=CC=C4   22.754
*26867 COC1=CC=CC(=C1)C2=C(C)C3=C(OC(C)=O)C=C(OC(C)=O)C=C3OC2=O   11.379
*26881 CN(C1=CC2=C(C=C1)C3=CC=CC=C3C2)S(=O)(=O)C4=CC=C(C)C=C4    6.785
*26893 CN(C)C1=CC=C(C=C1)C=C(C2=CC=CC=C2)C3=CC=NC=C3    9.939
*26940 O=C(C=C(N1CCCCC1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3   11.034
*26979 CCOC(=O)C(CC1=CC=C(C=C1)[N+]([O-])=O)(CC2=CC=C(C=C2)[N+]([O-])=O)C(=O)OCC   12.879
*26982 O=C(C=CC1=CC=CC=C1)C2=CC=C(C=C2)C3CCCCC3    6.333
*26999 COC1=CC2=NC(=CC(=C2C=C1OC)C3=CC(=C(OC)C(=C3)OC)OC)C   13.374
*27006 OC(=O)C1C2CCC(O2)C1C(=O)NC3=NC(=CC=C3)NC(=O)C4C5CCC(O5)C4C(O)=O   29.292
*27030 CCOC(=O)C(CC1=CC=CC=C1)(CC2=CC=CC=C2)C(=O)OCC    8.073
*27051 CCN(CC)CCOC(=O)C=C(C1=CC=CC=C1)C2=CC=CC=C2    9.668
*27055 CCN(CC)C[CH]1CC(C(=O)O1)(C2=CC=CC=C2)C3=CC=CC=C3    9.110
*27059 C1CCC(CC1)N2COC3=CC=C(OCC4=CC=CC=C4)C=C3C2    8.000
*27089 COC1=CC(=C(NC=CC2=[N+](C)C3=C(C=CC=C3)C2(C)C)C=C1)OC   17.386
*27114 CC(=O)C1=CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3C(=O)C[C]12C   10.863
*27125 CC(C)N1CC[CH](CC(C2=CC=CC=C2)C3=CC=CC=C3)C1    6.241
*27129 CCC(=O)C(C[CH](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2    9.304
*27130 CC1=CC=C(C=C1)[C](O)(CNC2CCCCC2)C3=CC=CC=C3   10.975
*27137 C[CH]1CCN([CH](C)C1)[CH]([CH](O)C2=CC=CC=C2)C3=CC=CC=C3   10.678
*27141 CCOC(=O)C(C[CH](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2    8.754
*27145 CC[N+](C)(CC)CC[C]1(C(=O)OC2=C1C=CC=C2)C3=CC=CC=C3   16.672
*27146 OCCOC1=C(C=CC=C1)[CH](CC2=CC=CC=C2)N3CCCCC3   12.029
*27171 CCC(=N)C([CH](C)CN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2    7.408
*27174 CCN(CC)[CH](C)CC(C(N)=O)(C1=CC=CC=C1)C2=CC=CC=C2   12.827
*27211 OC(=O)CCCCCCCCCCSC1=CC2=C(C=CC=C2)C=C1    8.836
*27227 CC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3C(=O)C[C]12C   11.412
*27229 C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)CS)[C]4(C)CC(=O)[CH]23   12.863
*27254 CCCCC[CH](C)N[CH]([CH](O)C1=CC=CC=C1)C2=CC=CC=C2   10.541
*27278 CN(C)CCOC(COC1=CC=C(C)C=C1)COC2=CC=C(C)C=C2   10.642
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*28003 COC1=CC2=C(C=C1OCC3=CC=CC=C3)C(=[N+](C)CC2)CC(C)C   14.917
*28010 C1CCN(CC1)CCOC(COC2=CC=CC=C2)COC3=CC=CC=C3   10.714
*28027 CCCCN(CCCC)C(=N)C1=CC=C(OCC2=CC=CC=C2)C=C1    8.636
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*28192 CCCCN(CC(C)C)C[CH](O)CNC1=C2N=C(C)C=CC2=CC(=C1)OC   17.215
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*28385 CN(C)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4   10.453
*28389 OC1=CC=C(O)C2=C1CN(CC3=CC=CC=C3)C(=S)N(CC4=CC=CC=C4)C2   17.116
*28394 CCCCCOC(=O)C(C1=CC=CC=C1)=C2OC(=O)C(=C2O)C3=CC=CC=C3   12.079
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*28459 O[CH]([CH]1CCCCN1)C2=C3C=CC=CC3=NC(=C2)CCC4=CC=CC=C4   14.991
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*28569 CC(C)(CC(C(N)=O)(C1=CC=CC=C1)C2=CC=CC=C2)[N+]3(C)CCCC3   21.201
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*28593 CC(=O)O[CH]1C[CH]2[CH]3CC[CH](OC(C)=O)[C]3(C)CC[CH]2[C]4(C)CCC(=O)C=C14    9.262
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*28609 CCCCN(CCCC)[CH](C)[CH](O)C1=C2C=CC=C3CCC(=C23)C=C1    7.932
*28648 CC(=O)O[C]1(CC[CH]2[CH]3C[CH]4O[C]45C[CH](O)CC[C]5(C)[CH]3CC[C]12C)C(C)=O   12.633
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*28689 CCCCCCCCCCCCC1=CC=C(OC(=O)OCCCC)C=C1    1.873
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*28708 CCCCCC[CH](CC=CCCCCCCCC(=O)OCCOC)OC(C)=O    6.275
*28729 CCCCCCCCCCCCCCCC[N+]1(CCOCC1)C[CH]2CO2   15.562
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*28802 COC1=C(C=CC=C1)C(=O)OC2=C(C(C)=O)C(=CC=C2)OC(=O)C3=C(OC)C=CC=C3   12.710
*28810 NC1=C(CC(C2=CNC3=C2C=CC=C3)C4=CNC5=C4C=CC=C5)C=CC=C1   15.309
*28812 C(OC1=NC(=NC(=N1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=C4   10.001
*28895 O=C(C[N+]1(CCOCC1)CCC2=CC=CC=C2)C3=CC4=C(C=CC=C4)C=C3   19.299
*28933 CN(CCCC[CH]1CCCN(C1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3   11.105
*28990 CC(=O)OC[CH]1OC=C[CH](OC(C)=O)[CH]1O[CH]2O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O   21.824
*29016 CCOC1=CC=C(CCNC(=O)CC2=CC(=C(OCC)C=C2)OCC)C=C1OCC   14.093
*29038 CC(=O)[C]12OC(C)(C)O[CH]1C[CH]3[CH]4CCC5=CC(=O)CC[C]5(C)[CH]4CC[C]23C    9.733
*29063 CC[N+](C)(CC)CCCC(C(=O)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2   20.286
*29065 CC1=CC(=C(O)C(=C1)C)CNCCCCCCNCC2=C(O)C(=CC(=C2)C)C   17.790
*29133 CCCCCCCCCCCCCCCCCCC1=CC=CC=C1    0.134
*29140 CCCCCCOC(=O)CC(=CC(=O)OCCCCCC)C(=O)OCCCCCC    7.441
*29143 CCCCOC(=O)C[CH](S[CH](CC(=O)OCCCC)C(=O)OCCCC)C(=O)OCCCC   11.876
*29148 CCCCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C(N)=O   14.117
*29185 CCCCCCCCCCCCCCCCCCCCCCCC   -0.447
*29189 CCCCCCCCCCCCSCCCCCCCCCCCC    0.398
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*29281 C(CN1CCN(CC1)C2=CC=CC=C2)CN3C4=C(C=CC=C4)C5=CC=CC=C35   11.351
*29287 COC1=CC=C(C=C1)N(CCN(C)C)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3   13.493
*29291 C[C]12CC[CH]3[CH](CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5)[CH]1CC[CH]2O    9.079
*29343 CCCCN(CCCC)CC[CH](O)C1=C2C=CC=CC2=C3C=CC=CC3=C1   11.004
*29400 CN(C)CC(C)(C)CN(C)CC1=CC(=CC(=C1O)C2=CC=CC=C2)C(C)(C)C   13.028
*29404 CC(=O)O[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](CC[CH]4C5(C)SCCS5)[CH]3CC=C2C1    7.001
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*29440 CCCCCC[CH](CC=CCCCCCCCC(=O)OC[CH](C)OC(C)=O)OC(C)=O    6.845
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*29596 C1CN(CCC2=CC=CC=C2)C[CH]1COC(C3=CC=CC=C3)C4=CC=CC=C4    9.511
*29627 CC(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C    7.721
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*29642 O=C(OCCN(CCOC(=O)C1=CC=CC=C1)CCC2CCCCC2)C3=CC=CC=C3   10.339
*29678 COC1=CC(=CC=C1NC(=O)NCN2CCOCC2)C3=CC=C(NC(=O)NCN4CCOCC4)C(=C3)OC   29.149
*29683 CCCCCCCCCCCCN[CH](C(=O)C1=CC=CC=C1)C2=CC=CC=C2    7.094
*29700 CCCCCCCCCCCCN[CH]([CH](O)C1=CC=CC=C1)C2=CC=CC=C2    9.924
*29704 CN(C)CCCNCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NC(=O)CNCCCN(C)C)C=C2   26.095
*29751 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC=C(C=C1)N(C)C    7.079
*29753 CC(C)CN(CC(C)C)CC(CN(CC(C)C)CC(C)C)OC(=O)NC1=CC=CC=C1   12.547
*29771 C[N+]1(CCCCCCCCCC[N+]2(C)CCCCCCC2)CCCCCCC1   16.399
*29775 OC1(C2=C(C=CC=C2)C3=CC=CC=C13)C4=C5C=CC=CC5=C6C=CC=CC6=C4   11.327
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*29796 CN(C)C1=CC=C(C=C1)C(C2=C(O)C3=C(OC2=O)C=C(O)C=C3)C4=C(O)C5=C(OC4=O)C=C(O)C=C5   23.726
*29813 CC1=CC=C(N[CH](C2=CC=CC=C2)C(O)(C3=CC=CC=C3)C4=CC=CC=C4)C=C1   12.928
*29836 C1CCN(CC1)CCOC2=CC=C(CC3C4=C(C=CC=C4)C5=CC=CC=C35)C=C2    9.143
*29849 CC(=O)O[CH]1CO[CH](O[CH]1[CH](OC(C)=O)[CH]2O[CH](OC[CH]2OC(C)=O)C3=CC=CC=C3)C4=CC=CC=C4   18.434
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*29881 C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]34)[CH]1CC[CH]2OC(=O)CCC5=CC=CC=C5    7.733
*29891 CCCCOC1=CC=C(C=C1)C(=O)[CH]([CH](N2CCOCC2)C3=CC=CC=C3)N4CCOCC4   16.475
*29900 CCCCCCCCCCCCOC(=O)N[CH]1C2=C(OC3=C1C=CC=C3C)C=CC=C2    8.854
*29934 CC1(C)CC[C]23CC[C]4(C)[CH](CC[CH]5[C]6(C)CCC(=O)[CH]6CC[C]45C)[CH]2[CH]1OC3    6.440
*29956 OC1=C(CNC2CCCCC2)C=C(CNC3CCCCC3)C=C1CNC4CCCCC4   16.282
*29957 CCCCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC2=C(OCO2)C=C1    7.971
*29996 CC[N+](CC)(CC)CCOC1=NC(=NC(=N1)OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC   27.585
*29998 O=C1C2=CC=CC=C2C3=NC4=CC=C5C(=O)C6=C(C=CC=C6)C7=C5C4=C8C(=N7)C=CC1=C38   18.648
*29999 O=C1C2=CC=CC=C2C(=O)C3=C1C=CC(=C3)NC4=C5C(=O)C6=CC=CC=C6C7=NSC(=C57)C=C4   19.219
*30010 OC1=C(C=CC2=C1C=CC=C2)C3(OC(=O)C4=C3C=CC=C4)C5=C(O)C6=C(C=CC=C6)C=C5   17.068
*30015 O=C(OCCOC(=O)N1C2=C(C=CC=C2)C3=CC=CC=C13)N4C5=C(C=CC=C5)C6=CC=CC=C46   10.358
*30026 C1=CC=C(C=C1)C(=CC=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4    6.504
*30086 CC(C)C1=CC(=C(C)C=C1O)C2(OC(=O)C3=C2C=CC=C3)C4=C(C)C=C(O)C(=C4)C(C)C   14.383
*30103 COC1=CC=C(C=C1O)[CH]2CC(=O)C3=C(O2)C=C(O[CH]4O[CH](CO[CH]5O[CH](C)[CH](O)[CH](O)[CH]5O)[CH](O)[CH](O)[CH]4O)C=C3O   32.350
*30104 O=C(OC(=O)[CH](C1CCCCC1)C2=CC=CC=C2)[CH](C3CCCCC3)C4=CC=CC=C4    5.870
*30184 CCCCCCCCC=CCCCCCCCC1=NC(C)(C)CN1C2=CC=CC=C2    3.322
*30195 CCCCCCCCCCCCCCCCCCCCCC1=NC2=CC=CC=C2N1    3.932
*30206 CCCCCCCCN(CCCCCCCC)C[CH](O)CN1CCCC2=C1C=CC=C2   10.030
*30208 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC=C(C=C1)N(CC)CC    6.833
*30243 NC1=CC=CC(=C1)C(=O)NC2=CC3=CC(=C(N=NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)S(O)(=O)=O)C(=C3C=C2)O)S(O)(=O)=O   35.147
*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
*30278 COC1=CC=C(C[CH](N=CC2=CC=C(O)C=C2)C(=O)N[CH]3[CH](O)[CH](O[CH]3CO)N4C=NC5=C(N=CN=C45)N(C)C)C=C1   32.496
*30300 C[CH]1CN(CCC(C(=O)N(C(C)C)C(C)C)(C2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)C1   11.762
*30308 C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC=C6C[CH](CC[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C)OC(C)=O    6.983
*30351 CC1=C(C2=C3C(=O)C4=CC=CC=C4C(=O)C3=CC=C2C)C5=C(C=C1)C(=O)C6=CC=CC=C6C5=O   15.757
*30358 NC1=CC2=C(C=C1)N=C3C=C(NC4=CC=CC=C4)C(C=C3N2C5=CC=CC=C5)=NC6=CC=CC=C6   14.481
*30419 COC1=CC2=C(NCCCCCCNC3=CC(=[N+](C)C4=CC=C(OC)C=C34)C)C=C(C)[N+](=C2C=C1)C   22.509
*30426 CC(C)CCN(CCC(C)C)C[CH](O)C1=CC(=C2C=CC3=C(C=CC(=C3)C(C)C)C2=C1)C   10.550
*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
*30465 CCCC[CH](CC)COC(=O)CC(=CC(=O)OC[CH](CC)CCCC)C(=O)OC[CH](CC)CCCC    6.703
*30466 CCCC[CH](CC)COC(=O)C[CH](CC(=O)OC[CH](CC)CCCC)C(=O)OC[CH](CC)CCCC    6.173
*30473 CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCO   21.308
*30490 CN1C(=O)N(C)C2=C(N(C[CH](COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OC(C)=O)C=N2)C1=O   18.034
*30503 CN(C)[CH]1[CH]2C[CH]3C(=C(O)[C]2(O)C(=O)C(=C1O)C(=O)NCN[CH]4[CH]5SC(C)(C)[CH](N5C4=O)C(O)=O)C(=O)C6=C(O)C=CC=C6[C]3(C)O   29.368
*30513 CCCCCN(CCCCC)[CH](C)[CH](O)C1=CC(=C2C=CC3=C(C=CC(=C3)C(C)C)C2=C1)C   10.426
*30514 CCCCN(CCCC)CCCCCCCC[CH](O)C1=C2C=CC=CC2=C3C=CC=CC3=C1   10.265
*30518 CCCC[CH](CCCCC[CH](CCCC)NCC1=CC2=C(OCO2)C=C1)NCC3=CC4=C(OCO4)C=C3   14.757
*30519 C[CH](CC[CH]1O[CH]2C[CH]3[CH]4CC[CH]5CC(=O)CC[C]5(C)[CH]4CC6(SCCS6)[C]3(C)[CH]2[CH]1C)C7SCCS7   14.684
*30523 CC[CH](C=C[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(C)=O)C(C)C    1.772
*30540 NC1=C2C=CC=CC2=C(C=C1N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(O)C6=C(C=CC=C6)C(=C5)S(O)(=O)=O)S(O)(=O)=O   30.627
*30552 O=C([CH]1[CH](C=C[CH]([CH]1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5   10.866
*30557 O=C(CCCCC(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2)NC4C5=C(OC6=C4C=CC=C6)C=CC=C5   16.896
*30567 CN(C1=CC=C(C=C1)C2=NCCN2)S(=O)(=O)C3=CC=C(OC4=CC=C(C=C4)S(=O)(=O)N(C)C5=CC=C(C=C5)C6=NCCN6)C=C3   20.314
*30576 O=S(=O)(N(CCCOC1=CC=CC=C1)CCN(CCCOC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4   14.363
*30605 CCCC1=C(C(=O)OCCCN(CC)CC)C(=C(CCC)N1C2=CC=CC=C2)C(=O)OCCCN(CC)CC   16.910
*30652 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCCCC(O)=O    6.724
*30657 O=C1C2=CC=CC=C2C3=CC=CC4=C(C=CC1=C34)C5=C6C=CC=C7C8=C(C=CC=C8)C(=O)C(=C67)C=C5   12.434
*30659 O=C(N=C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC(=C3)C(=O)N=C(C4=CC=CC=C4)C5=CC=CC=C5   10.600
*30667 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(=C13)O)S(O)(=O)=O)S(O)(=O)=O   38.567
*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
*30722 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(C)=O)OC(=O)C6=CC=CC=C6   12.235
*30730 CCN(CC)CCC(=O)OC1=CC=C(NC(=O)OC2CCC(CC2)OC(=O)NC3=CC=C(OC(=O)CCN(CC)CC)C=C3)C=C1   20.440
*30768 COC1=CC=C(C=C1)[CH]2OC[CH]3O[CH](O[CH]4[CH]5COC(=O)[CH]5[CH](C6=CC(=C(O)C(=C6)OC)OC)C7=C4C=C8OCOC8=C7)[CH](O)[CH](O)[CH]3O2   32.201
*30861 [O-][N+](=O)C1=CC2=C(C=C1)C3=CC=CC=C3C2=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=C6C7=CC=CC=C7C8=CC=C(C=C68)[N+]([O-])=O   14.770
*30903 CCCCCC[CH](O)CC=CCCCCCCCC(=O)OCCCOC(=O)CCCCCCCC=CC[CH](O)CCCCCC    8.181
*30919 CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C)C5=CC=C(C=C5)N(C)C   13.750
*30941 C[CH](OC(=O)C1=CC=CC=C1)[CH](OC(=O)C2=CC=CC=C2)[CH](OC(=O)C3=CC=CC=C3)[CH](COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5   17.151
*30994 N1C2=C(C3=CC=CC=C3)C4=NC(=C(C5=CC=C(N5)C(=C6C=CC(=N6)C(=C1C=C2)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C=C4   16.551
*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
*31015 CC(C)C1=C2C=C(C)C(=C(O)C2=C(C=N[CH](C)C3=CC=CC=C3)C(=C1O)O)C4=C(O)C5=C(C=N[CH](C)C6=CC=CC=C6)C(=C(O)C(=C5C=C4C)C(C)C)O   32.854
*31019 CCCCCCCCN(CCCCCCCC)S(=O)(=O)C1=CC=C(OCCOC2=CC=C(C=C2)S(=O)(=O)N(CCCCCCCC)CCCCCCCC)C=C1    9.137
