*50-12-4 O=C2NC(c1ccccc1)(C(=O)N2C)CC    1.690
*50-21-5 O=C(O)C(O)C   -0.720
*50-27-1 Oc1ccc2c(c1)CCC3C2CCC4(C)(C(O)C(O)CC34)    2.450
*50-30-6 O=C(O)c1c(cccc1Cl)Cl    2.230
*50-35-1 O=C3NC(=O)C(N2C(=O)c1ccccc1C2(=O))CC3    0.330
*50-37-3 O=C(N(CC)CC)C4C=C3c2cccc1[nH]cc(c12)CC3N(C)C4    2.950
*50-48-6 c1ccc3c(c1)C(=CCCN(C)C)c2ccccc2CC3    4.920
*50-49-7 c1ccc3c(c1)N(c2ccccc2CC3)CCCN(C)C    4.800
*50-79-3 O=C(O)c1cc(ccc1Cl)Cl    2.820
*50-89-5 O=C1NC(=O)N(C=C1C)C2OC(CO)C(O)C2   -0.930
*50-91-9 O=C1NC(=O)N(C=C1(F))C2OC(CO)C(O)C2   -1.160
*51-17-2 n1c[nH]c2ccccc12    1.320
*51-36-5 O=C(O)c1cc(cc(c1)Cl)Cl    3.000
*51-79-6 O=C(OCC)N   -0.150
*52-24-4 N1(CC1)P(N2CC2)(N3CC3)=S    0.530
*53-16-7 O=C2CCC3C4CCc1cc(O)ccc1C4(CCC23(C))    3.130
*53-41-8 O=C2CCC3C4CCC1CC(O)CCC1(C)C4(CCC23(C))    3.690
*53-79-2 O=C(NC1C(O)C(OC1(CO))n3cnc2c3(ncnc2N(C)C))C(N)Cc4ccc(OC)cc4    0.030
*54-32-0 O=C(Oc1cc(c(OCCN(C)C)cc1C)C(C)C)C    3.170
*54-42-2 O=C1NC(=O)N(C=C1I)C2OC(CO)C(O)C2   -0.960
*55-22-1 O=C(O)c1ccncc1    0.320
*56-23-5 C(Cl)(Cl)(Cl)Cl    2.830
*56-91-7 O=C(O)c1ccc(cc1)CN    1.030
*57-24-9 O=C2N6c1ccccc1C57(CCN4CC3=CCOC(C2)C(C3CC45)C67)    1.930
*57-42-1 O=C(OCC)C2(c1ccccc1)(CCN(C)CC2)    2.720
*58-00-4 Oc1ccc4c(c1(O))c2cccc3c2C(N(C)CC3)C4    2.300
*58-14-0 n1c(nc(c(c1N)c2ccc(cc2)Cl)CC)N    2.690
*58-19-5 O=C2CC3CCC1C4CCC(O)C4(C)(CCC1C3(C)(CC2C))    3.990
*58-22-0 O=C4C=C3CCC1C(CCC2(C)(C(O)CCC12))C3(C)CC4    3.320
*58-38-8 c1ccc3c(c1)N(c2cc(ccc2S3)Cl)CCCN4CCN(C)CC4    4.880
*58-40-2 c1ccc3c(c1)N(c2ccccc2S3)CCCN(C)C    4.550
*58-90-2 Oc1c(cc(c(c1Cl)Cl)Cl)Cl    4.450
*58-93-5 O=S(=O)(N)c1cc2c(cc1Cl)NCNS2(=O)(=O)   -0.070
*59-07-4 O=C(O)c1ccc(N)cc1(OCC)    0.990
*59-40-5 O=S(=O)(Nc1nc2ccccc2(nc1))c3ccc(N)cc3    1.680
*59-46-1 O=C(OCCN(CC)CC)c1ccc(N)cc1    2.140
*59-47-2 OCC(O)COc1ccccc1C    1.410
*59-63-2 O=C(NNCc1ccccc1)c2noc(c2)C    1.490
*59-89-2 O=NN1CCOCC1   -0.440
*60-34-4 NNC   -1.050
*60-57-1 O1C2C1C3CC2C4C3C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl    5.300
*60-99-1 O(c1ccc3c(c1)N(c2ccccc2S3)CC(C)CN(C)C)C    4.680
*61-32-5 O=C(O)C3N2C(=O)C(NC(=O)c1c(OC)cccc1(OC))C2SC3(C)(C)    1.220
*61-54-1 NCCc2c[nH]c1ccccc12    1.550
*61-80-3 n1c(oc2ccc(cc12)Cl)N    2.460
*62-44-2 O=C(Nc1ccc(OCC)cc1)C    1.580
*62-53-3 Nc1ccccc1    0.900
*62-67-9 Oc5ccc4c1c5(OC2C(O)C=CC3C(N(CC=C)CCC123)C4)    1.860
*62-73-7 O=P(OC=C(Cl)Cl)(OC)OC    1.470
*62-75-9 O=NN(C)C   -0.570
*63-25-2 O=C(Oc1cccc2ccccc12)NC    2.360
*63-98-9 O=C(N)NC(=O)Cc1ccccc1    0.870
*64-13-1 O(c1ccc(cc1)CC(N)C)C    1.770
*64-19-7 O=C(O)C   -0.170
*64-39-1 O=C(OC2(c1ccccc1)(CC(N(C)CC2(C))C))CC    3.130
*65-45-2 O=C(N)c1ccccc1(O)    1.280
*67-52-7 O=C1NC(=O)CC(=O)N1   -1.470
*67-63-0 OC(C)C    0.050
*67-66-3 C(Cl)(Cl)Cl    1.970
*68-11-1 O=C(O)CS    0.090
*68-76-8 O=C1C=C(C(=O)C(=C1N2CC2)N3CC3)N4CC4   -0.130
*70-00-8 O=C1NC(=O)N(C=C1C(F)(F)F)C2OC(CO)C(O)C2   -0.460
*71-23-8 OCCC    0.250
*71-33-0 O=C1N=CNC(=O)N1   -1.870
*71-41-0 OCCCCC    1.510
*71-43-2 c1ccccc1    2.130
*72-55-9 c1cc(ccc1C(c2ccc(cc2)Cl)=C(Cl)Cl)Cl    6.510
*73-24-5 n1cnc2[nH]cnc2(c1N)   -0.070
*73-48-3 O=S(=O)(N)c1cc2c(cc1C(F)(F)F)NC(NS2(=O)(=O))Cc3ccccc3    1.890
*74-95-3 C(Br)Br    1.700
*74-96-4 CCBr    1.610
*74-97-5 C(Cl)Br    1.410
*75-00-3 CCCl    1.430
*75-09-2 C(Cl)Cl    1.250
*75-21-8 O1CC1   -0.300
*75-25-2 C(Br)(Br)Br    2.400
*75-26-3 CC(C)Br    2.140
*75-31-0 NC(C)C    0.260
*75-45-6 FC(F)Cl    1.080
*75-50-3 N(C)(C)C    0.160
*75-56-9 O1CC1C    0.030
*75-63-8 FC(F)(F)Br    1.860
*75-65-0 OC(C)(C)C    0.350
*75-69-4 FC(Cl)(Cl)Cl    2.530
*75-73-0 FC(F)(F)F    1.180
*75-89-8 FC(F)(F)CO    0.410
*75-97-8 O=C(C)C(C)(C)C    1.200
*76-06-2 O=[N+]([O-])C(Cl)(Cl)Cl    2.090
*76-16-4 FC(F)(F)C(F)(F)F    2.000
*76-41-5 O=C1CCC5(O)(C4N(C)CCC25(c3c(OC12)c(O)ccc3C4))    0.830
*77-07-6 Oc1ccc2c(c1)C34(CCN(C)C(C2)C4(CCCC3))    3.110
*77-32-7 O=C1NC(NC(=O)C1(CC)CC)=S    1.500
*77-67-8 O=C1NC(=O)C(C)(C1)CC    0.380
*77-71-4 O=C1NC(=O)C(N1)(C)C   -0.480
*78-48-8 O=P(SCCCC)(SCCCC)SCCCC    5.700
*79-08-3 O=C(O)CBr    0.410
*79-11-8 O=C(O)CCl    0.220
*79-14-1 O=C(O)CO   -1.110
*79-31-2 O=C(O)C(C)C    0.940
*79-41-4 O=C(O)C(=C)C    0.930
*79-46-9 O=[N+]([O-])C(C)C    0.930
*80-05-7 Oc1ccc(cc1)C(c2ccc(O)cc2)(C)C    3.320
*80-35-3 O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2    0.320
*80-58-0 O=C(O)C(CC)Br    1.420
*80-70-6 N=C(N(C)C)N(C)C    0.410
*81-20-9 O=[N+]([O-])c1c(cccc1C)C    2.950
*82-68-8 O=[N+]([O-])c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl    4.640
*82-86-0 O=C1C(=O)c3cccc2cccc1c23    1.950
*83-12-5 O=C2c3ccccc3(C(=O)C2(c1ccccc1))    2.900
*83-56-7 Oc1cccc2c(O)cccc12    1.940
*85-34-7 O=C(O)Cc1c(ccc(c1Cl)Cl)Cl    3.200
*86-35-1 O=C2NC(c1ccccc1)C(=O)N2CC    1.050
*86-54-4 n1nc(NN)c2ccccc2(c1)    1.000
*86-57-7 O=[N+]([O-])c2cccc1ccccc12    3.190
*86-81-7 O=Cc1cc(OC)c(OC)c(OC)c1    1.390
*86-87-3 O=C(O)Cc2cccc1ccccc12    2.240
*86-98-6 n1ccc(c2ccc(cc12)Cl)Cl    3.570
*87-51-4 O=C(O)Cc2c[nH]c1ccccc12    1.410
*87-64-9 Oc1c(cccc1Cl)C    2.800
*88-04-0 Oc1cc(c(c(c1)C)Cl)C    3.270
*88-13-1 O=C(O)c1ccsc1    1.500
*88-16-4 FC(F)(F)c1ccccc1Cl    3.530
*88-18-6 Oc1ccccc1C(C)(C)C    3.310
*88-19-7 O=S(=O)(N)c1ccccc1C    0.840
*88-65-3 O=C(O)c1ccccc1Br    2.200
*88-69-7 Oc1ccccc1C(C)C    2.880
*88-75-5 O=[N+]([O-])c1ccccc1(O)    1.790
*88-89-1 O=[N+]([O-])c1cc(c(O)c(c1)[N+](=O)[O-])[N+](=O)[O-]    1.330
*88-99-3 O=C(O)c1ccccc1(C(=O)O)    0.730
*89-24-7 O=C1NC(=O)C(N1)c2ccccc2    0.460
*89-59-8 O=[N+]([O-])c1cc(ccc1C)Cl    3.050
*89-64-5 O=[N+]([O-])c1cc(ccc1(O))Cl    2.460
*89-68-9 Oc1cc(c(cc1C(C)C)Cl)C    3.920
*89-78-1 OC1CC(C)CCC1(C(C)C)    3.330
*89-81-6 O=C1C=C(C)CCC1C(C)C    2.850
*90-01-7 Oc1ccccc1CO    0.730
*90-12-0 c1ccc2c(c1)cccc2C    3.870
*90-15-3 Oc1cccc2ccccc12    2.850
*90-30-2 c1ccc(cc1)Nc3cccc2ccccc23    4.200
*90-33-5 O=C2Oc1cc(O)ccc1C(=C2)C    1.900
*90-41-5 Nc1ccccc1c2ccccc2    2.840
*90-43-7 Oc1ccccc1c2ccccc2    3.090
*90-94-8 O=C(c1ccc(cc1)N(C)C)c2ccc(cc2)N(C)C    3.870
*91-23-6 O=[N+]([O-])c1ccccc1(OC)    1.730
*91-46-3 O(c1cc(ccc1C(C)C)C)CCN(C)C    3.790
*91-57-6 c1ccc2cc(ccc2(c1))C    3.860
*91-59-8 Nc1ccc2ccccc2(c1)    2.280
*91-63-4 n1c2ccccc2(ccc1C)    2.590
*91-76-9 n1c(nc(nc1N)c2ccccc2)N    1.360
*91-80-5 n1ccccc1N(Cc2cccs2)CCN(C)C    2.870
*91-84-9 n1ccccc1N(Cc2ccc(OC)cc2)CCN(C)C    3.270
*91-94-1 Nc1ccc(cc1Cl)c2ccc(N)c(c2)Cl    3.510
*92-43-3 O=C2NN(c1ccccc1)CC2    0.890
*92-44-4 Oc1cc2ccccc2(cc1(O))    2.240
*92-55-7 O=C(OC(OC(=O)C)c1oc(cc1)[N+](=O)[O-])C    1.060
*92-85-3 c1ccc3c(c1)Sc2ccccc2S3    4.470
*92-93-3 O=[N+]([O-])c1ccc(cc1)c2ccccc2    3.820
*93-02-7 O=Cc1cc(OC)ccc1(OC)    1.910
*93-55-0 O=C(c1ccccc1)CC    2.190
*93-72-1 O=C(O)C(Oc1cc(c(cc1Cl)Cl)Cl)C    3.800
*93-76-5 O=C(O)COc1cc(c(cc1Cl)Cl)Cl    3.310
*93-98-1 O=C(Nc1ccccc1)c2ccccc2    2.620
*94-02-0 O=C(OCC)CC(=O)c1ccccc1    1.870
*94-09-7 O=C(OCC)c1ccc(N)cc1    1.860
*94-44-0 O=C(OCc1ccccc1)c2cnccc2    2.400
*94-47-3 O=C(OCCc1ccccc1)c2ccccc2    4.010
*94-71-3 Oc1ccccc1(OCC)    1.680
*94-82-6 O=C(O)CCCOc1ccc(cc1Cl)Cl    3.530
*95-13-6 c1ccc2c(c1)C=CC2    2.920
*95-15-8 c1ccc2c(c1)ccs2    3.120
*95-16-9 n1csc2ccccc12    2.010
*95-47-6 c1ccc(c(c1)C)C    3.120
*95-48-7 Oc1ccccc1C    1.950
*95-50-1 c1ccc(c(c1)Cl)Cl    3.430
*95-56-7 Oc1ccccc1Br    2.350
*95-57-8 Oc1ccccc1Cl    2.150
*95-65-8 Oc1ccc(c(c1)C)C    2.230
*95-72-7 c1cc(c(cc1C)Cl)C    3.860
*95-88-5 Oc1ccc(c(O)c1)Cl    1.800
*96-12-8 C(C(CBr)Br)Cl    2.960
*96-22-0 O=C(CC)CC    0.990
*96-29-7 ON=C(C)CC    0.630
*96-33-3 O=C(OC)C=C    0.800
*96-43-5 c1cc(Cl)sc1    2.540
*96-50-4 n1ccsc1N    0.380
*96-64-0 O=P(F)(OC(C)C(C)(C)C)C    1.780
*97-00-7 O=[N+]([O-])c1ccc(c(c1)[N+](=O)[O-])Cl    2.170
*98-05-5 O=[As](O)(O)c1ccccc1    0.060
*98-55-5 OC(C)(C)C1CC=C(C)CC1    3.130
*98-83-9 C=C(c1ccccc1)C    3.480
*99-02-5 O=C(c1cccc(c1)Cl)C    2.510
*99-07-0 Oc1cccc(c1)N(C)C    1.560
*99-51-4 O=[N+]([O-])c1ccc(c(c1)C)C    2.910
*99-59-2 O=[N+]([O-])c1ccc(OC)c(N)c1    1.470
*99-60-5 O=C(O)c1ccc(cc1Cl)[N+](=O)[O-]    2.030
*99-61-6 O=Cc1cccc(c1)[N+](=O)[O-]    1.470
*99-65-0 O=[N+]([O-])c1cccc(c1)[N+](=O)[O-]    1.490
*99-71-8 Oc1ccc(cc1)C(C)CC    3.080
*99-88-7 Nc1ccc(cc1)C(C)C    2.490
*99-91-2 O=C(c1ccc(cc1)Cl)C    2.320
*100-12-9 O=[N+]([O-])c1ccc(cc1)CC    3.030
*100-23-2 O=[N+]([O-])c1ccc(cc1)N(C)C    2.270
*100-25-4 O=[N+]([O-])c1ccc(cc1)[N+](=O)[O-]    1.460
*100-39-0 c1ccc(cc1)CBr    2.920
*100-42-5 C=Cc1ccccc1    2.950
*100-63-0 NNc1ccccc1    1.250
*100-65-2 ONc1ccccc1    0.790
*100-66-3 O(c1ccccc1)C    2.110
*100-71-0 n1ccccc1CC    1.690
*100-76-5 N12(CCC(CC1)CC2)    1.380
*101-42-8 O=C(Nc1ccccc1)N(C)C    0.980
*101-53-1 Oc1ccc(cc1)Cc2ccccc2    3.470
*102-29-4 O=C(Oc1cccc(O)c1)C    1.230
*102-32-9 O=C(O)Cc1ccc(O)c(O)c1    0.980
*102-38-5 O=CNc1cccc(c1)[N+](=O)[O-]    1.400
*102-76-1 O=C(OCC(OC(=O)C)COC(=O)C)C    0.250
*102-96-5 O=[N+]([O-])C=Cc1ccccc1    2.110
*103-01-5 O=C(O)CNc1ccccc1    0.620
*103-03-7 O=C(N)NNc1ccccc1    0.130
*103-04-8 O=C(O)CSc1ccccc1    1.880
*103-30-0 c1ccc(cc1)C=Cc2ccccc2    4.810
*103-38-8 O=C(OCc1ccccc1)CC(C)C    3.260
*103-69-5 c1ccc(cc1)NCC    2.160
*103-70-8 O=CNc1ccccc1    1.150
*103-88-8 O=C(Nc1ccc(cc1)Br)C    2.290
*104-01-8 O=C(O)Cc1ccc(OC)cc1    1.420
*104-03-0 O=C(O)Cc1ccc(cc1)[N+](=O)[O-]    1.390
*104-13-2 Nc1ccc(cc1)CCCC    3.050
*104-31-4 O=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c1ccc(cc1)NCCCC    2.450
*104-47-2 N#CCc1ccc(OC)cc1    1.700
*104-52-9 c1ccc(cc1)CCCCl    3.550
*104-83-6 c1cc(ccc1CCl)Cl    3.180
*104-94-9 O(c1ccc(N)cc1)C    0.950
*105-13-5 OCc1ccc(OC)cc1    1.100
*105-34-0 N#CCC(=O)OC   -0.470
*105-37-3 O=C(OCC)CC    1.210
*105-40-8 O=C(OCC)NC    0.340
*105-55-5 N(C(NCC)=S)CC    0.570
*106-37-6 c1cc(ccc1Br)Br    3.790
*106-38-7 c1cc(ccc1C)Br    3.420
*106-39-8 c1cc(ccc1Cl)Br    3.540
*106-40-1 Nc1ccc(cc1)Br    2.260
*106-41-2 Oc1ccc(cc1)Br    2.590
*106-42-3 c1cc(ccc1C)C    3.150
*106-44-5 Oc1ccc(cc1)C    1.940
*106-86-5 O1C2CCC(C=C)CC12    2.080
*106-93-4 C(CBr)Br    1.960
*106-99-0 C=CC=C    1.990
*107-10-8 NCCC    0.480
*107-18-6 OCC=C    0.170
*107-29-9 ON=CC   -0.130
*107-31-3 O=COC    0.030
*107-92-6 O=C(O)CCC    0.790
*108-03-2 O=[N+]([O-])CCC    0.870
*108-05-4 O=C(OC=C)C    0.730
*108-10-1 O=C(C)CC(C)C    1.310
*108-18-9 N(C(C)C)C(C)C    1.400
*108-36-1 c1cc(cc(c1)Br)Br    3.750
*108-41-8 c1cc(cc(c1)Cl)C    3.280
*108-42-9 Nc1cccc(c1)Cl    1.880
*108-44-1 Nc1cccc(c1)C    1.400
*108-48-5 n1c(cccc1C)C    1.680
*108-59-8 O=C(OC)CC(=O)OC   -0.050
*108-70-3 c1c(cc(cc1Cl)Cl)Cl    4.190
*108-85-0 C1CCC(CC1)Br    3.200
*108-88-3 c1ccc(cc1)C    2.730
*108-89-4 n1ccc(cc1)C    1.220
*108-91-8 NC1CCCCC1    1.490
*108-93-0 OC1CCCCC1    1.230
*108-95-2 Oc1ccccc1    1.460
*108-99-6 n1cccc(c1)C    1.200
*109-46-6 N(C(NCCCC)=S)CCCC    2.750
*109-64-8 C(CBr)CBr    2.370
*109-70-6 C(CCl)CBr    2.180
*109-92-2 O(C=C)CC    1.040
*109-94-4 O=COCC    0.230
*109-97-7 c1cc[nH]c1    0.750
*110-00-9 o1cccc1    1.340
*110-12-3 O=C(C)CCC(C)C    1.880
*110-15-6 O=C(O)CCC(=O)O   -0.590
*110-89-4 N1CCCCC1    0.840
*110-94-1 O=C(O)CCCC(=O)O   -0.290
*111-43-3 O(CCC)CCC    2.030
*111-76-2 OCCOCCCC    0.830
*112-34-5 OCCOCCOCCCC    0.560
*112-59-4 OCCOCCOCCCCCC    1.700
*113-59-7 c1ccc3c(c1)C(=CCCN(C)C)c2cc(ccc2S3)Cl    5.180
*114-26-1 O=C(Oc1ccccc1(OC(C)C))NC    1.520
*115-10-6 O(C)C    0.100
*115-38-8 O=C2NC(=O)C(c1ccccc1)(C(=O)N2C)CC    1.840
*115-56-0 O=C1NC(NC(=O)C1(CC(=C)C)CC)=S    2.190
*116-06-3 O=C(ON=CC(C)(C)SC)NC    1.130
*117-34-0 O=C(O)C(c1ccccc1)c2ccccc2    3.090
*117-37-3 O=C1c3ccccc3(C(=O)C1c2ccc(OC)cc2)    2.880
*118-69-4 c1cc(c(c(c1)Cl)C)Cl    3.990
*118-83-2 O=[N+]([O-])c1ccc(cc1C(F)(F)F)Cl    3.200
*118-91-2 O=C(O)c1ccccc1Cl    2.050
*118-92-3 O=C(O)c1ccccc1(N)    1.210
*119-34-6 O=[N+]([O-])c1cc(N)ccc1(O)    0.960
*119-47-1 Oc1c(cc(cc1C(C)(C)C)C)Cc2cc(cc(c2(O))C(C)(C)C)C    6.250
*119-61-9 O=C(c1ccccc1)c2ccccc2    3.180
*119-65-3 n1ccc2ccccc2(c1)    2.080
*119-91-5 n1c(ccc2ccccc12)c3nc4ccccc4(cc3)    4.310
*120-03-6 n1c3ccccc3([nH]c1c2ccc(cc2)C)    3.670
*120-14-9 O=Cc1ccc(OC)c(OC)c1    1.220
*120-25-2 O=Cc1ccc(OCC)c(OC)c1    1.630
*120-71-8 O(c1ccc(cc1(N))C)C    1.740
*120-80-9 Oc1ccccc1(O)    0.880
*120-83-2 Oc1ccc(cc1Cl)Cl    3.060
*120-94-5 N1(C)CCCC1    0.920
*121-14-2 O=[N+]([O-])c1ccc(c(c1)[N+](=O)[O-])C    1.980
*121-29-9 O=C(OC)C(=CC2C(C(=O)OC1C(=C(C(=O)C1)CC=CC=C)C)C2(C)(C))C    4.300
*121-32-4 O=Cc1ccc(O)c(OCC)c1    1.580
*121-46-0 C1=CC2C=CC1C2    2.670
*121-50-6 FC(F)(F)c1ccc(c(N)c1)Cl    3.060
*121-52-8 O=[N+]([O-])c1cccc(c1)S(=O)(=O)N    0.550
*121-69-7 c1ccc(cc1)N(C)C    2.310
*122-00-9 O=C(c1ccc(cc1)C)C    2.100
*122-46-3 O=C(Oc1cccc(c1)C)C    2.090
*122-51-0 O(CC)C(OCC)OCC    1.200
*122-59-8 O=C(O)COc1ccccc1    1.340
*122-66-7 c1ccc(cc1)NNc2ccccc2    2.940
*122-78-1 O=CCc1ccccc1    1.780
*122-85-0 O=Cc1ccc(cc1)NC(=O)C    1.250
*122-99-6 OCCOc1ccccc1    1.160
*123-08-0 O=Cc1ccc(O)cc1    1.350
*123-11-5 O=Cc1ccc(OC)cc1    1.760
*123-31-9 Oc1ccc(O)cc1    0.590
*123-38-6 O=CCC    0.590
*123-51-3 OCCC(C)C    1.160
*123-63-7 O1C(OC(OC1C)C)C    0.670
*123-72-8 O=CCCC    0.880
*123-82-0 NC(C)CCCCC    2.400
*124-02-7 C=CCNCC=C    1.110
*125-55-3 O=C1NC(=O)C(C(=O)N1C)(CC(=C)Br)C(C)C    2.110
*127-06-0 ON=C(C)C    0.120
*127-07-1 O=C(N)NO   -1.800
*127-18-4 C(=C(Cl)Cl)(Cl)Cl    3.400
*127-41-3 O=C(C=CC1C(=CCCC1(C)(C))C)C    3.850
*127-77-5 O=S(=O)(Nc1ccccc1)c2ccc(N)cc2    1.550
*129-03-3 c1ccc3c(c1)C=Cc2ccccc2C3=C4CCN(C)CC4    4.690
*129-20-4 O=C3N(c1ccccc1)N(c2ccc(O)cc2)C(=O)C3CCCC    2.720
*129-79-3 O=C3c1cc(ccc1c2c3(cc(cc2[N+](=O)[O-])[N+](=O)[O-]))[N+](=O)[O-]    2.420
*130-16-5 Oc1ccc(c2cccnc12)Cl    2.880
*131-03-3 O=C(OC)C3C(O)CCC4CN2CCc1c5ccccc5([nH]c1C2CC34)    2.640
*133-32-4 O=C(O)CCCc2c[nH]c1ccccc12    2.300
*134-32-7 Nc1cccc2ccccc12    2.250
*134-55-4 O=C(Oc1ccccc1)c2ccccc2(OC(=O)C)    2.880
*135-02-4 O=Cc1ccccc1(OC)    1.720
*135-19-3 Oc1ccc2ccccc2(c1)    2.700
*137-07-5 Nc1ccccc1S    1.430
*137-18-8 O=C1C=C(C(=O)C=C1C)C    1.280
*137-58-6 O=C(Nc1c(cccc1C)C)CN(CC)CC    2.440
*138-41-0 O=C(O)c1ccc(cc1)S(=O)(=O)N    0.500
*139-71-9 O=CNc1cccc(c1)Cl    1.900
*139-85-5 O=Cc1ccc(O)c(O)c1    1.090
*140-10-3 O=C(O)C=Cc1ccccc1    2.130
*140-38-5 O=C(N)Nc1ccc(cc1)Cl    1.800
*140-53-4 N#CCc1ccc(cc1)Cl    2.470
*141-62-8 O([Si](O[Si](C)(C)C)(C)C)[Si](O[Si](C)(C)C)(C)C    5.400
*141-78-6 O=C(OCC)C    0.730
*141-82-2 O=C(O)CC(=O)O   -0.810
*144-11-6 OC(c1ccccc1)(CCN2CCCCC2)C3CCCCC3    4.490
*144-82-1 O=S(=O)(Nc1nnc(C)s1)c2ccc(N)cc2    0.540
*145-13-1 O=C(C)C2CCC3C4CC=C1CC(O)CCC1(C)C4(CCC23(C))    4.220
*146-22-5 O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2))[N+](=O)[O-]    2.250
*147-58-0 O=C(O)CNC(=O)c1ccccc1I    0.970
*148-79-8 n1cscc1c2nc3ccccc3([nH]2)    2.470
*149-73-5 O(C)C(OC)OC    0.250
*150-19-6 Oc1cccc(OC)c1    1.340
*150-68-5 O=C(Nc1ccc(cc1)Cl)N(C)C    1.940
*151-67-7 FC(F)(F)C(Cl)Br    2.300
*152-47-6 O=S(=O)(Nc1nccnc1(OC))c2ccc(N)cc2    0.700
*154-23-4 Oc3cc(O)c2c(OC(c1ccc(O)c(O)c1)C(O)C2)c3    0.510
*156-43-4 O(c1ccc(N)cc1)CC    1.240
*156-59-2 C(=CCl)Cl    1.980
*229-87-8 n2cc1ccccc1c3ccccc23    3.480
*260-94-6 n1c3ccccc3(cc2ccccc12)    3.400
*271-44-3 n1cc2ccccc2([nH]1)    1.770
*271-89-6 o1ccc2ccccc12    2.670
*273-53-0 n1coc2ccccc12    1.590
*274-55-5 n1cccc2cc[nH]c12    1.820
*286-16-8 O1C2CCCCCC12    1.260
*288-32-4 n1cc[nH]c1   -0.080
*288-36-8 n1n[nH]cc1   -0.290
*290-87-9 n1cncnc1    0.120
*294-93-9 O1CCOCCOCCOCC1   -0.040
*299-85-4 O(c1ccc(cc1Cl)Cl)P(OC)(NC(C)C)=S    4.300
*303-49-1 c1ccc3c(c1)N(c2cc(ccc2CC3)Cl)CCCN(C)C    5.190
*309-00-2 C1=CC2CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl    6.500
*312-73-2 FC(F)(F)c1nc2ccccc2([nH]1)    2.670
*321-28-8 Fc1ccccc1(OC)    2.140
*321-64-2 n2c1ccccc1c(N)c3c2CCCC3    2.710
*325-14-4 FC(F)(F)c1ccc2cccnc2(c1)    3.020
*331-25-9 O=C(O)Cc1cccc(F)c1    1.650
*339-43-5 O=C(NCCCC)NS(=O)(=O)c1ccc(N)cc1    1.010
*345-35-7 Fc1ccccc1CCl    2.670
*348-10-7 O=C(O)COc1ccccc1(F)    1.390
*349-27-9 O=C(Nc1cc(ccc1(F))C(F)(F)F)C    2.240
*349-82-6 O=C(O)COc1cccc(c1)C(F)(F)F    2.360
*349-97-3 O=C(Nc1ccc(cc1)C(F)(F)F)C    2.520
*351-35-9 O=C(O)Cc1cccc(c1)C(F)(F)F    2.620
*351-36-0 O=C(Nc1cccc(c1)C(F)(F)F)C    2.560
*351-83-7 O=C(Nc1ccc(F)cc1)C    1.470
*352-11-4 Fc1ccc(cc1)CCl    2.730
*352-33-0 Fc1ccc(cc1)Cl    2.780
*356-12-7 O=C(OCC(=O)C35(OC(OC5(CC2C4CC(F)C1=CC(=O)C=CC1(C)C4(F)(C(O)CC23(C))))(C)C))C    3.190
*357-57-3 O=C2N6c1cc(OC)c(OC)cc1C57(CCN4CC3=CCOC(C2)C(C3CC45)C67)    0.980
*359-83-1 Oc1ccc2c(c1)C3(C)(CCN(CC=C(C)C)C(C2)C3(C))    4.640
*362-29-8 O=C(c1ccc3c(c1)N(c2ccccc2S3)CC(N(C)C)C)CC    4.790
*367-12-4 Fc1ccccc1(O)    1.710
*367-21-5 Fc1ccc(N)cc1Cl    2.060
*367-23-7 Fc1ccc(F)c(F)c1    2.520
*367-25-9 Fc1ccc(N)c(F)c1    1.540
*369-24-4 O=C(NN)c1ccnc(F)c1   -0.110
*371-41-5 Fc1ccc(O)cc1    1.770
*372-18-9 Fc1cccc(F)c1    2.210
*372-20-3 Fc1cccc(O)c1    1.930
*374-01-6 FC(F)(F)C(O)C    0.710
*383-63-1 O=C(OCC)C(F)(F)F    1.180
*384-22-5 O=[N+]([O-])c1ccccc1C(F)(F)F    2.580
*385-00-2 O=C(O)c1c(F)cccc1(F)    1.590
*394-68-3 Fc1cccc2cccnc12    2.190
*396-01-0 n1c(nc(N)c2nc(c(nc12)N)c3ccccc3)N    0.980
*402-31-3 FC(F)(F)c1cccc(c1)C(F)(F)F    3.830
*403-33-8 O=C(OC)c1ccc(F)cc1    2.280
*404-98-8 O=C(O)COc1cccc(F)c1    1.480
*420-04-2 N#CN   -0.820
*425-32-1 FC(F)(c1ccccc1)C(F)(F)c2ccccc2    5.000
*426-65-3 O=C(OCC)C(F)(F)C(F)(F)F    2.120
*434-45-7 O=C(c1ccccc1)C(F)(F)F    2.150
*444-30-4 FC(F)(F)c1ccccc1(O)    2.800
*445-29-4 O=C(O)c1ccccc1(F)    1.770
*446-31-1 O=C(O)c1ccc(N)cc1(F)    1.290
*446-36-6 O=[N+]([O-])c1ccc(F)cc1(O)    1.910
*451-13-8 O=C(O)Cc1cc(O)ccc1(O)    0.860
*452-86-8 Oc1ccc(cc1(O))C    1.370
*455-87-8 O=C(O)c1ccc(N)c(F)c1    1.410
*456-56-4 FC(F)(F)Sc1ccccc1    3.570
*459-60-9 Fc1ccc(OC)cc1    2.260
*460-00-4 Fc1ccc(cc1)Br    3.080
*461-98-3 n1c(N)cc(nc1C)C    0.390
*462-95-3 O(COCC)CC    0.840
*470-17-7 O=C1OC2CC3(C)(CCCC(=C)C3(CC2(C1(=C))))    3.420
*470-67-7 O1C2(C)(CCC1(CC2)C(C)C)    2.970
*481-39-0 O=C1C=CC(=O)c2c(O)cccc12    1.920
*488-93-7 O=C(O)c1cocc1    1.030
*490-91-5 O=C1C=C(C(=O)C=C1C)C(C)C    2.200
*495-76-1 OCc1ccc2OCOc2(c1)    1.050
*496-11-7 c1ccc2c(c1)CCC2    3.180
*496-16-2 O2c1ccccc1CC2    2.140
*501-89-3 O=C(O)c1ccc(cc1)CC(=O)O    1.240
*501-98-4 O=C(O)C=Cc1ccc(O)cc1    1.630
*502-56-7 O=C(CCCC)CCCC    2.880
*509-36-4 O=C2N6c1ccc(OC)cc1C57(CCN4CC3=CCOC(C2)C(C3CC45)C67)    1.850
*510-15-6 O=C(OCC)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl    4.740
*512-56-1 O=P(OC)(OC)OC   -0.650
*513-08-6 O=P(OCCC)(OCCC)OCCC    1.870
*520-03-6 O=C2c3ccccc3(C(=O)N2(c1ccccc1))    2.400
*522-24-7 c1ccc3c(c1)N(c2ccccc2S3)CCN(C)C    4.200
*523-50-2 O=C1Oc3c(C=C1)ccc2occc23    2.080
*525-82-6 O=C1C=C(Oc2ccccc12)c3ccccc3    3.560
*526-75-0 Oc1cccc(c1C)C    2.480
*527-17-3 O=C1C(=C(C(=O)C(=C1C)C)C)C    2.230
*527-60-6 Oc1c(cc(cc1C)C)C    2.730
*527-61-7 O=C1C=C(C(=O)C(=C1)C)C    1.220
*527-72-0 O=C(O)c1cccs1    1.570
*529-20-4 O=Cc1ccccc1C    2.260
*530-50-7 NN(c1ccccc1)c2ccccc2    2.800
*532-11-6 O(c1ccc(cc1)C2=CC(=S)SS2)C    3.820
*533-74-4 C1(N(C)CN(C)CS1)(=S)    1.400
*534-22-5 o1cccc1C    1.850
*536-59-4 OCC1=CCC(C(=C)C)CC1    3.170
*536-78-7 n1cccc(c1)CC    1.660
*537-55-3 O=C(O)C(NC(=O)C)Cc1ccc(O)cc1    1.320
*537-91-7 O=[N+]([O-])c1cccc(c1)SSc2cccc(c2)[N+](=O)[O-]    4.060
*538-32-9 O=C(N)NCc1ccccc1    0.730
*539-03-7 O=C(Nc1ccc(cc1)Cl)C    2.090
*540-37-4 Nc1ccc(cc1)I    2.340
*541-73-1 c1cc(cc(c1)Cl)Cl    3.530
*541-79-7 O=C(OCC)NC(O)C(Cl)(Cl)Cl    1.840
*542-54-1 N#CCCC(C)C    1.540
*543-49-7 OC(C)CCCCC    2.310
*543-59-9 CCCCCCl    2.730
*544-25-2 C1=CC=CCC=C1    2.630
*545-06-2 N#CC(Cl)(Cl)Cl    2.090
*546-43-0 O=C1OC2CC3(C(=CC2(C1(=C)))C(C)CCC3)(C)    3.380
*547-52-4 O=S(=O)(N)c1ccc(cc1)NS(=O)(=O)c2ccc(N)cc2    0.350
*551-11-1 O=C(O)CCCC=CCC1C(O)CC(O)C1(C=CC(O)CCCCC)    4.390
*552-62-5 O=C2NC(=O)c1c(ncn1C)N2   -0.890
*552-89-6 O=Cc1ccccc1[N+](=O)[O-]    1.740
*553-03-7 O=C2Nc1ccccc1CC2    1.340
*553-84-4 O=C(c1cocc1)CCC(C)C    2.760
*553-90-2 O=C(OC)C(=O)OC   -0.170
*554-14-3 c1cc(C)sc1    2.330
*555-37-3 O=C(Nc1ccc(c(c1)Cl)Cl)N(C)CCCC    4.100
*557-98-2 C=C(C)Cl    2.000
*561-27-3 O=C(Oc5ccc4c1c5(OC2C(OC(=O)C)C=CC3C(N(C)CCC123)C4))C    1.580
*561-86-4 O=C1NC(=O)C(C(=O)N1)(CC=C)CC(=C)Br    1.370
*562-26-5 O=C(OCC)C3(c1ccccc1)(CCN(CCC(O)c2ccccc2)CC3)    4.040
*563-80-4 O=C(C)C(C)C    0.840
*564-00-1 O1CC1C2OC2   -0.520
*569-41-5 c2cc1cccc(c1c(c2)C)C    4.260
*571-60-8 Oc1ccc(O)c2ccccc12    1.900
*573-56-8 O=[N+]([O-])c1cccc(c1(O))[N+](=O)[O-]    1.370
*574-66-3 ON=C(c1ccccc1)c2ccccc2    3.200
*576-24-9 Oc1cccc(c1Cl)Cl    2.840
*577-56-0 O=C(O)c1ccccc1(C(=O)C)    0.810
*578-06-3 n1c3ccccc3(cc2c1cccc2(N))    2.470
*578-66-5 n1cccc2cccc(N)c12    1.790
*579-74-8 O=C(c1ccccc1(OC))C    1.820
*580-02-9 O=C(OC)c1ccccc1(OC(=O)C)    1.460
*580-22-3 n1c(N)ccc2ccccc12    1.870
*582-60-5 n1c[nH]c2cc(c(cc12)C)C    2.350
*584-79-2 O=C(OC1C(=C(C(=O)C1)CC=C)C)C2C(C=C(C)C)C2(C)(C)    4.780
*585-34-2 Oc1cccc(c1)C(C)(C)C    3.300
*586-37-8 O=C(c1cccc(OC)c1)C    1.840
*586-78-7 O=[N+]([O-])c1ccc(cc1)Br    2.550
*586-84-5 O=[N+]([O-])c1oc(cc1)COC    0.890
*586-89-0 O=C(O)c1ccc(cc1)C(=O)C    1.610
*588-32-9 O=C(O)COc1cccc(c1)Cl    2.030
*589-08-2 c1ccc(cc1)CCNC    1.910
*589-21-9 NNc1ccc(cc1)Br    1.390
*589-55-9 OC(CCC)CCC    2.220
*589-82-2 OC(CC)CCCC    2.240
*589-92-4 O=C1CCC(C)CC1    1.380
*591-33-3 O=C(Nc1cccc(OCC)c1)C    1.820
*591-78-6 O=C(C)CCCC    1.380
*592-31-4 O=C(N)NCCCC    0.410
*592-50-7 FCCCCC    2.330
*592-57-4 C=1C=CCCC=1    2.470
*593-53-3 FC    0.510
*593-60-2 C=CBr    1.570
*598-72-1 O=C(O)C(C)Br    0.920
*598-75-4 OC(C)C(C)C    1.280
*598-92-5 O=[N+]([O-])C(C)Cl    1.100
*598-99-2 O=C(OC)C(Cl)(Cl)Cl    2.030
*600-24-8 O=[N+]([O-])C(C)CC    1.200
*602-38-0 O=[N+]([O-])c2cccc1cccc(c12)[N+](=O)[O-]    2.520
*603-00-9 O=C2c1c(ncn1CC(O)C)N(C(=O)N2C)C   -0.770
*605-71-0 O=[N+]([O-])c2cccc1c2(cccc1[N+](=O)[O-])    2.580
*606-27-9 O=C(OC)c1ccccc1[N+](=O)[O-]    1.660
*606-43-9 O=C2C=Cc1ccccc1N2C    1.450
*608-43-5 Oc1ccc(O)c(c1C)C    1.360
*608-93-5 c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl    5.170
*609-19-8 Oc1cc(c(c(c1)Cl)Cl)Cl    4.010
*609-39-2 O=[N+]([O-])c1occc1    0.660
*609-72-3 c1ccc(c(c1)N(C)C)C    2.850
*611-13-2 O=C(OC)c1occc1    1.000
*611-20-1 N#Cc1ccccc1(O)    1.610
*612-16-8 OCc1ccccc1(OC)    1.130
*612-25-9 O=[N+]([O-])c1ccccc1CO    1.240
*612-57-7 n1cccc2cc(ccc12)Cl    2.730
*612-58-8 n1cc(cc2ccccc12)C    2.530
*612-62-4 n1c2ccccc2(ccc1Cl)    2.710
*613-50-3 O=[N+]([O-])c1ccc2ncccc2(c1)    1.840
*613-94-5 O=C(NN)c1ccccc1    0.190
*614-61-9 O=C(O)COc1ccccc1Cl    1.860
*614-99-3 O=C(OCC)c1occc1    1.520
*615-15-6 n1c2ccccc2([nH]c1C)    1.430
*615-60-1 c1cc(c(cc1Cl)C)C    3.820
*615-67-8 Oc1ccc(O)c(c1)Cl    1.400
*616-03-5 O=C1NC(=O)C(N1)C   -0.910
*617-90-3 N#Cc1occc1    0.960
*618-49-5 O=C(N)c1cccc(O)c1    0.390
*618-62-2 O=[N+]([O-])c1cc(cc(c1)Cl)Cl    3.090
*618-80-4 O=[N+]([O-])c1cc(c(O)c(c1)Cl)Cl    2.940
*619-25-0 O=[N+]([O-])c1cccc(c1)CO    1.210
*619-50-1 O=C(OC)c1ccc(cc1)[N+](=O)[O-]    1.890
*619-56-7 O=C(N)c1ccc(cc1)Cl    1.550
*619-57-8 O=C(N)c1ccc(O)cc1    0.330
*619-73-8 O=[N+]([O-])c1ccc(cc1)CO    1.260
*619-84-1 O=C(O)c1ccc(cc1)N(C)C    1.280
*620-08-6 n1ccc(OC)cc1    1.000
*620-92-8 Oc1ccc(cc1)Cc2ccc(O)cc2    2.910
*621-36-3 O=C(O)Cc1cccc(c1)C    1.950
*621-38-5 O=C(Nc1cccc(c1)Br)C    2.310
*621-84-1 O=C(OCc1ccccc1)N    1.200
*621-88-5 O=C(N)COc1ccccc1    0.760
*622-29-7 N(=Cc1ccccc1)C    1.640
*622-47-9 O=C(O)Cc1ccc(cc1)C    1.860
*622-62-8 Oc1ccc(OCC)cc1    1.810
*622-80-0 c1ccc(cc1)NCCC    2.450
*623-03-0 N#Cc1ccc(cc1)Cl    2.470
*623-08-5 c1cc(ccc1NC)C    2.150
*623-12-1 O(c1ccc(cc1)Cl)C    2.780
*623-59-6 O=C(NC(=O)C)NC   -0.700
*624-78-2 N(C)CC    0.150
*625-48-9 O=[N+]([O-])CCO   -0.420
*625-52-5 O=C(N)NCC   -0.740
*625-74-1 O=[N+]([O-])CC(C)C    1.400
*625-84-3 c1cc([nH]c1C)C    1.470
*625-86-5 o1c(ccc1C)C    2.240
*626-93-7 OC(C)CCCC    1.760
*627-05-4 O=[N+]([O-])CCCC    1.470
*627-12-3 O=C(OCCC)N    0.360
*627-19-0 C#CCCC    1.980
*628-05-7 O=[N+]([O-])CCCCC    2.010
*628-34-2 O(CC)CCCl    0.980
*628-73-9 N#CCCCCC    1.660
*628-83-1 N#CSCCCC    2.030
*630-18-2 N#CC(C)(C)C    1.080
*631-07-2 O=C1NC(=O)C(N1)(c2ccccc2)CC    1.530
*634-36-6 O(c1cccc(OC)c1(OC))C    1.530
*634-67-3 Nc1ccc(c(c1Cl)Cl)Cl    3.330
*634-83-3 Nc1cc(c(c(c1Cl)Cl)Cl)Cl    4.270
*634-90-2 c1c(cc(c(c1Cl)Cl)Cl)Cl    4.560
*634-93-5 Nc1c(cc(cc1Cl)Cl)Cl    3.520
*635-90-5 c1ccc(cc1)n2cccc2    3.080
*636-97-5 O=C(NN)c1ccc(cc1)[N+](=O)[O-]    0.350
*637-59-2 c1ccc(cc1)CCCBr    3.720
*637-61-6 O=C1C=CC(=NCl)C=C1    1.260
*640-61-9 O=S(=O)(NC)c1ccc(cc1)C    1.280
*646-06-0 O1COCC1   -0.370
*651-06-9 O=S(=O)(Nc1ncc(OC)cn1)c2ccc(N)cc2    0.410
*656-31-5 O=C(N)Nc1ccccc1(F)    0.880
*671-03-4 O=C(Oc1cc(c(cc1C)C)C)NC    2.520
*672-76-4 O=C1C=CC(=CC=C1(O))C(C)C    1.890
*673-31-4 O=C(OCCCc1ccccc1)N    1.960
*678-26-2 FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F    4.400
*680-31-9 O=P(N(C)C)(N(C)C)N(C)C    0.280
*681-57-2 O=C(O)CCC(C(=O)O)(C)C    0.670
*688-04-0 O=C(O)C(CC(=O)C)CCC    1.310
*692-94-4 O=C(OC)C=CC#CC#CC#CC    3.140
*693-95-8 n1cscc1C    0.970
*693-98-1 n1cc[nH]c1C    0.240
*695-94-3 OCCN1C(=NCC1)C    0.040
*698-63-5 O=Cc1oc(cc1)[N+](=O)[O-]    1.010
*698-67-9 O=C(N)c1ccc(cc1)Br    1.760
*700-13-0 Oc1cc(c(O)c(c1C)C)C    1.690
*704-73-4 O=C(Oc1ccccc1(F))NC    1.250
*705-70-4 O=C(Oc1ccc(F)cc1)NC    1.280
*707-98-2 n2cnc1c(ncn1CCC)c2N    0.740
*709-79-5 N#CC(=Cc1ccccc1)C(=O)N    1.560
*709-98-8 O=C(Nc1ccc(c(c1)Cl)Cl)CC    3.070
*710-15-6 O=S(=O)(N)NCCc1ccccc1    0.810
*710-25-8 O=C(N)C=Cc1oc(cc1)[N+](=O)[O-]    0.650
*711-82-0 OCCOc1cccc2ccccc12    2.500
*718-64-9 FC(F)(F)C(O)(c1ccccc1)C(F)(F)F    3.410
*723-46-6 O=S(=O)(Nc1noc(c1)C)c2ccc(N)cc2    0.890
*731-27-1 O=S(=O)(N(c1ccc(cc1)C)SC(F)(Cl)Cl)N(C)C    3.900
*738-70-5 n1cc(c(nc1N)N)Cc2cc(OC)c(OC)c(OC)c2    0.910
*765-30-0 NC1CC1    0.070
*766-09-6 N1(CC)CCCCC1    1.750
*766-77-8 c1ccc(cc1)[Si](C)C    3.990
*768-59-2 OCc1ccc(cc1)CC    2.270
*768-94-5 NC23(CC1CC(CC(C1)C2)C3)    2.440
*768-95-6 OC23(CC1CC(CC(C1)C2)C3)    2.140
*769-92-6 Nc1ccc(cc1)C(C)(C)C    2.700
*770-09-2 c1ccc(cc1)C[Si](C)(C)C    4.130
*770-19-4 O=C(N)Nc1cccc(F)c1    1.290
*771-99-3 c1ccc(cc1)C2CCNCC2    2.390
*774-40-3 O=C(OCC)C(O)c1ccccc1    1.530
*776-75-0 O=C(c1ccccc1)N2CCCCC2    2.200
*780-69-8 O(CC)[Si](OCC)(OCC)c1ccccc1    2.990
*815-24-7 O=C(C(C)(C)C)C(C)(C)C    3.000
*822-36-6 n1c[nH]cc1C    0.230
*823-09-6 n1cccnc1SC    1.010
*824-46-4 Oc1ccc(O)c(OC)c1    0.470
*824-75-9 O=C(N)c1ccc(F)cc1    0.910
*825-56-9 n1nc(oc1)c2ccccc2    1.310
*826-81-3 Oc1cccc2ccc(nc12)C    2.330
*827-42-9 O=C2C=C(c1ccccc1)SS2    3.010
*830-03-5 O=C(Oc1ccc(cc1)[N+](=O)[O-])C    1.500
*830-96-6 O=C(O)CCc2c[nH]c1ccccc12    1.750
*842-00-2 O=S(=O)(N)c2ccc(c1ccccc12)S(=O)(=O)CC    1.240
*869-29-4 O=C(OC(OC(=O)C)C=C)C    0.780
*872-31-1 c1cscc1Br    2.620
*872-55-9 c1cc(CC)sc1    2.870
*873-49-4 c1ccc(cc1)C2CC2    3.270
*873-63-2 OCc1cccc(c1)Cl    1.940
*874-14-6 O=C1C=CN(C(=O)N1C)C   -0.540
*874-84-0 O=[N+]([O-])C=Cc1cccs1    1.960
*874-90-8 N#Cc1ccc(OC)cc1    1.700
*876-98-2 O=C(Oc1c(cccc1C)C)C    2.320
*877-11-2 c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)C    5.620
*879-39-0 O=[N+]([O-])c1cc(c(c(c1Cl)Cl)Cl)Cl    3.930
*882-14-4 O=C(Nc1ccc(c(c1)Cl)Cl)C(C)C    3.720
*882-26-8 O=[N+]([O-])C=Cc1cccc(c1)[N+](=O)[O-]    1.820
*890-67-5 O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))C    0.080
*920-66-1 FC(F)(F)C(O)C(F)(F)F    1.660
*923-26-2 O=C(OCC(O)C)C(=C)C    0.970
*933-78-8 Oc1cc(cc(c1Cl)Cl)Cl    3.840
*933-90-4 O=C(N)c1ncccc1(O)    0.650
*934-32-7 n1c(N)[nH]c2ccccc12    0.910
*935-92-2 O=C1C=C(C(=O)C(=C1C)C)C    1.820
*935-95-5 Oc1c(c(cc(c1Cl)Cl)Cl)Cl    3.880
*937-40-6 O=NN(C)Cc1ccccc1    1.550
*938-16-9 O=C(c1ccccc1)C(C)(C)C    3.000
*938-56-7 OCCn2nnc1ccccc12    0.500
*939-23-1 n1ccc(cc1)c2ccccc2    2.590
*941-69-5 O=C1C=CC(=O)N1c2ccccc2    1.090
*942-79-0 N#Cc1ccccc1(OC(=O)NC)    0.860
*943-49-7 N#Cc1cccc(OC(=O)NC)c1    0.970
*943-88-4 O=C(C=Cc1ccc(OC)cc1)C    2.250
*944-22-9 O(CC)P(CC)(=S)Sc1ccccc1    3.940
*946-80-5 O(c1ccccc1)Cc2ccccc2    3.790
*947-04-6 O=C1NCCCCCCCCCCC1    2.920
*947-73-9 Nc2cc1ccccc1c3ccccc23    3.560
*950-35-6 O=[N+]([O-])c1ccc(OP(=O)(OC)OC)cc1    1.330
*952-13-6 n1cccc2nc([nH]c12)c3ccc(cc3)Cl    2.950
*952-14-7 Fc1ccc(cc1)c2nc3ncccc3([nH]2)    2.520
*953-17-3 O(C)P(OC)(=S)SCSc1ccc(cc1)Cl    4.820
*962-58-3 O=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC    2.070
*999-10-0 O=C(OCC)CCCO    0.430
*999-29-1 [N-]=[N+]=CC(=O)NCC(=O)OCC   -0.080
*999-61-1 O=C(OCC(O)C)C=C    0.350
*1001-52-1 CCCC[Si](C)C    3.570
*1003-09-4 c1cc(Br)sc1    2.750
*1006-59-3 Oc1c(cccc1CC)CC    3.030
*1007-36-9 O=C(Nc1ccccc1)NC    1.120
*1008-89-5 n1ccccc1c2ccccc2    2.630
*1010-60-2 O=C1C=C(C(=O)c2ccccc12)Cl    2.290
*1011-54-7 O=C(O)C=Cc1ccccc1(OC)    2.180
*1022-45-3 O=C1N=C(Nc2ccccc12)c3ccccc3    2.530
*1072-83-9 O=C(c1ccc[nH]1)C    0.930
*1077-05-0 O(c1ccccc1)P2OCCO2    1.420
*1083-48-3 O=[N+]([O-])c1ccc(cc1)Cc2ccncc2    2.880
*1088-11-5 O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2))Cl    2.930
*1116-82-1 N#CCCN(N=O)CCC#N    0.080
*1119-40-0 O=C(OC)CCCC(=O)OC    0.620
*1122-81-2 n1ccc(cc1)CCC    2.100
*1123-54-2 n1nc2c(ncnc2([nH]1))N   -0.960
*1125-78-6 Oc1ccc2c(c1)CCCC2    2.900
*1125-80-0 n1cc2ccccc2(cc1C)    2.680
*1126-00-7 n1cccn1c2ccccc2    2.200
*1129-26-6 O=S(=O)(N)c1ccc(OC)cc1    0.470
*1129-50-6 O=C(Nc1ccccc1)CCC    2.050
*1135-00-8 O=S(=O)(N)c1ccc(cc1)CCCC    2.450
*1135-43-9 O=C(Oc1ccc(cc1)C(=O)C)NC    1.010
*1137-42-4 O=C(c1ccccc1)c2ccc(O)cc2    3.070
*1141-88-4 Nc1ccccc1SSc2ccccc2(N)    3.050
*1143-78-8 O=C(OCC)CC(n2nnc1ccccc12)C    2.270
*1146-98-1 O=C2c3ccccc3(C(=O)C2(c1ccc(cc1)Br))    3.760
*1146-99-2 O=C2c3ccccc3(C(=O)C2(c1ccc(cc1)Cl))    3.610
*1159-93-9 O=C2c3ccccc3(Nc1cc(ccc1N2CCN(C)C)Cl)    3.730
*1165-48-6 O=C2c3ccc(OC)c(c3(OC(c1ccccc1)=C2C))CN(C)C    3.650
*1194-65-6 N#Cc1c(cccc1Cl)Cl    2.740
*1195-08-0 O=CC1=CNC(=O)NC1(=O)   -1.030
*1195-14-8 c1ccc2c(c1)cc(C)s2    3.710
*1197-22-4 O=S(=O)(Nc1ccccc1)C    0.950
*1199-99-1 c1ccc(cc1)CCCN(C)C    2.730
*1202-32-0 O=[N+]([O-])C(=Cc1ccccc1)CC    2.860
*1207-63-2 O=S2(=O)(NC(=Nc1ccc(cc12)Cl)CC)    1.620
*1210-12-4 N#Cc1c3ccccc3(cc2ccccc12)    4.260
*1212-29-9 N(C(NC1CCCCC1)=S)C2CCCCC2    3.690
*1214-39-7 n2cnc(NCc1ccccc1)c3nc[nH]c23    1.570
*1220-55-9 O=C(NN1CCCC1)NS(=O)(=O)c2ccc(cc2)C    0.650
*1431-39-6 O=S(=O)(N)c2cccc1c2(cccc1N(C)C)    2.010
*1443-94-3 O=C(NN1CCCCC1)NS(=O)(=O)c2ccc(cc2)C    1.340
*1448-87-9 n1cc(nc2ccccc12)Cl    2.230
*1452-77-3 O=C(N)c1ncccc1    0.150
*1455-77-2 n1[nH]c(nc1N)N   -1.610
*1457-85-8 O=C(OCC)C(=O)Nc1ccccc1    1.480
*1461-22-9 CCCC[Sn](CCCC)(CCCC)Cl    4.760
*1467-23-8 O=C(NCC)NS(=O)(=O)c1ccc(cc1)C    1.140
*1467-34-1 O=C(Nc1cc(c(c(c1)C)C)C)C    2.500
*1480-19-9 O=C(c1ccc(F)cc1)CCCN3CCN(c2ccccc2(OC))CC3    3.600
*1492-96-2 O=C1Nc3ccc(cc3(C(=NC1)c2ccc(F)cc2))Cl    2.900
*1504-26-3 O=C(Nc1ccccc1[N+](=O)[O-])Cc2ccccc2    2.730
*1523-06-4 O=C(Oc1cccc(c1)[N+](=O)[O-])C    1.820
*1532-84-9 n1ccc2ccccc2(c1N)    1.900
*1535-61-1 O=S(=O)(N)c2cc1c(N=CNS1(=O)(=O))cc2(F)   -0.290
*1551-06-0 c1c[nH]c(c1)CC    1.590
*1552-94-9 O=C(O)C=CC=Cc1ccccc1    3.150
*1555-94-8 n1cccc2cccc(OCC)c12    2.250
*1570-45-2 O=C(OCC)c1ccncc1    1.430
*1570-64-5 Oc1ccc(cc1C)Cl    2.630
*1571-33-1 O=P(O)(O)c1ccccc1    0.540
*1571-92-2 O=[N+]([O-])c1ccc2[nH]c(nc2(c1))c3ccccc3C    3.420
*1576-43-8 O=S(=O)(N)c1ccc(O)cc1    0.060
*1603-41-4 n1cc(ccc1N)C    1.020
*1608-68-0 O=C(Oc1ccccc1C(C)C)C    2.780
*1628-89-3 n1ccccc1OC    1.340
*1646-27-1 O=C(OC)c1oc2ccccc2(c1)    2.530
*1673-47-8 O=C(NN)c1cccc(c1)Cl    1.180
*1677-27-6 O=C2c1ccccc1SS2    2.730
*1678-25-7 O=S(=O)(Nc1ccccc1)c2ccccc2    2.580
*1680-21-3 O=C(OCCOCCOCCOC(=O)C=C)C=C    0.960
*1695-04-1 O(c1ccccc1)c2ccccc2(OC)    2.920
*1698-60-8 O=C1C(=C(N)C=NN1c2ccccc2)Cl    1.140
*1708-29-8 O1CC=CC1    0.460
*1709-59-7 O=S(=O)(c1ccc(N)cc1)N(C)C    0.670
*1722-10-7 n1nc(ccc1OC)Cl    0.890
*1722-18-5 n1cnc(nc1)c2ccccc2    1.930
*1771-65-9 O=C(O)C(C)CC(=O)c1ccccc1    1.620
*1792-40-1 O=[N+]([O-])c1ccc2[nH]c(nc2(c1))C    1.940
*1805-02-3 n1c(N)n(c2ccc(OC)cc12)C    0.870
*1805-32-9 OCc1ccc(c(c1)Cl)Cl    2.740
*1812-30-2 O=C1Nc3ccc(cc3(C(=NC1)c2ncccc2))Br    2.050
*1821-12-1 O=C(O)CCCc1ccccc1    2.420
*1824-47-1 O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))CCl    0.110
*1824-58-4 O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))CC    0.300
*1828-76-8 O=C1OC(O)(c2ccccc12)C    0.810
*1841-19-6 O=C2NCN(c1ccccc1)C25(CCN(CCCC(c3ccc(F)cc3)c4ccc(F)cc4)CC5)    5.860
*1864-94-4 O=COc1ccccc1    1.260
*1877-72-1 N#Cc1cccc(c1)C(=O)O    1.480
*1878-67-7 O=C(O)Cc1cccc(c1)Br    2.370
*1878-68-8 O=C(O)Cc1ccc(cc1)Br    2.310
*1878-76-8 O=C(O)COc1cccc(c1)SC    1.900
*1878-80-4 O=C(O)COc1cccc(c1)C(=O)C    0.980
*1878-81-5 O=C(O)COc1ccc(cc1)C(=O)C    0.870
*1878-85-9 O=C(O)COc1ccccc1(OC)    0.980
*1878-88-2 O=C(O)COc1cccc(c1)[N+](=O)[O-]    1.370
*1879-58-9 N#Cc1cccc(OCC(=O)O)c1    0.950
*1885-29-6 N#Cc1ccccc1(N)    1.400
*1885-87-6 N(=Cc1ccccc1)N2CCCCC2    3.040
*1904-58-1 O=C(NN)c1ccccc1(N)   -0.180
*1939-21-5 O=C(Nc1cccc(c1)C(F)(F)F)Cc2ccccc2    3.840
*1948-92-1 O=[N+]([O-])c1ccc(cc1)S(=O)(=O)c2ccc(N)cc2    2.040
*1984-59-4 O(c1cccc(c1Cl)Cl)C    3.240
*1985-51-9 O=C(OCC(C)(C)COC(=O)C(=C)C)C(=C)C    2.790
*1989-33-9 O=C(O)C2c3ccccc3(c1ccccc12)    2.800
*2011-67-8 O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2))[N+](=O)[O-])C    2.160
*2012-81-9 N#CC(c1ccc(cc1)Cl)C(C)C    3.410
*2018-61-3 O=C(O)C(NC(=O)C)Cc1ccccc1    0.930
*2021-28-5 O=C(OCC)CCc1ccccc1    2.730
*2032-59-9 O=C(Oc1ccc(c(c1)C)N(C)C)NC    1.900
*2032-65-7 O=C(Oc1cc(c(c(c1)C)SC)C)NC    2.920
*2034-22-2 n1c([nH]c(c1Br)Br)Br    1.960
*2046-17-5 O=C(OC)CCCc1ccccc1    2.770
*2046-33-5 O(C)CCCc1ccccc1    2.700
*2050-45-5 O=C(Nc1cc(cc(c1)C)C)C    2.170
*2050-67-1 c1cc(cc(c1)Cl)c2cccc(c2)Cl    5.270
*2050-68-2 c1cc(ccc1c2ccc(cc2)Cl)Cl    5.230
*2050-69-3 c1ccc2c(c1)ccc(c2Cl)Cl    4.420
*2050-75-1 c1ccc2cc(c(cc2(c1))Cl)Cl    4.420
*2050-76-2 Oc2c1ccccc1c(cc2Cl)Cl    4.230
*2051-61-8 c1ccc(cc1)c2cccc(c2)Cl    4.580
*2051-62-9 c1ccc(cc1)c2ccc(cc2)Cl    4.610
*2052-07-5 c1ccc(cc1)c2ccccc2Br    4.590
*2070-61-3 O=S(=O)(Nc1ccccc1)CF    1.350
*2095-17-2 NCCCN3c1ccccc1Sc2ccc(cc23)Cl    4.470
*2100-42-7 O(c1ccc(OC)c(c1)Cl)C    2.690
*2113-57-7 c1ccc(cc1)c2cccc(c2)Br    4.850
*2142-63-4 O=C(c1cccc(c1)Br)C    2.470
*2157-98-4 O=C(C=C(OP(=O)(OC)OC)C)NC   -0.200
*2183-54-2 Oc1c(cc(cc1Br)Br)CO    2.720
*2202-79-1 O=C1C=CC(=O)c2cc(c(cc12)C)C    2.490
*2213-70-9 O=P(Oc1cc(c(cc1Cl)Cl)Cl)(OC)NC    3.060
*2213-84-5 O=P(Oc1cc(c(cc1Cl)Cl)Cl)(OC)NCC    3.180
*2213-87-8 O=P(Oc1cc(c(cc1Cl)Cl)Cl)(OC)NCCCC    4.180
*2213-88-9 O=P(Oc1cc(c(cc1Cl)Cl)Cl)(OC)NCC(C)C    3.860
*2214-33-7 O=P(Oc1cc(c(cc1Cl)Cl)Cl)(OC)NC(C)(C)C    3.830
*2214-34-8 O=P(Oc1cc(c(cc1Cl)Cl)Cl)(OC)N    2.530
*2216-45-7 O=C(OCc1ccc(cc1)C)C    2.440
*2216-68-4 c1ccc2c(c1)cccc2(NC)    2.880
*2237-30-1 N#Cc1cccc(N)c1    1.070
*2243-81-4 O=C(N)c2cccc1ccccc12    1.880
*2251-64-1 O=S2(=O)(NC(=Nc1cc(ccc12)Cl)C(F)(F)F)    1.650
*2255-15-4 O=[N+]([O-])c1ccc(OP(=O)(OC)OC)cc1Cl    1.830
*2262-52-4 O=C(OCC)C(=Cc1ccccc1(F))C(=O)OCC    3.040
*2274-08-0 O=C(N)NC(=O)CC(C)C    0.450
*2285-16-7 O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2))C(F)(F)F    3.100
*2303-16-4 O=C(N(C(C)C)C(C)C)SCC(=CCl)Cl    4.490
*2314-09-2 O=C(OCCCC)C2(O)(c3ccccc3(c1ccccc12))    3.700
*2338-31-0 FC(F)(F)c2nc1c(cccc1Cl)[nH]2    2.930
*2348-74-5 O=C1C=C(NC(=O)C)C(=O)c2ccccc12    1.290
*2348-82-5 O=C1C=C(OC)C(=O)c2ccccc12    1.350
*2364-46-7 O=[N+]([O-])c2cc1cccc(c1c(c2)[N+](=O)[O-])[N+](=O)[O-]    2.300
*2364-50-3 O=C(Nc1ccccc1)CC(C)C    2.510
*2373-84-4 O=C1NC(=O)C(C(=O)N1)(CC=C)CC    0.950
*2403-22-7 c1ccc(cc1)CNCCCC    2.590
*2416-94-6 Oc1c(ccc(c1C)C)C    2.670
*2424-02-4 C=CCNCC    0.810
*2431-96-1 O=C(N(CC)CC)Cc1ccccc1    2.400
*2438-72-4 O=C(NO)Cc1ccc(OCCCC)cc1    2.080
*2447-57-6 O=S(=O)(Nc1ncnc(OC)c1(OC))c2ccc(N)cc2    0.700
*2457-47-8 n1cc(cc(c1)Cl)Cl    2.560
*2457-76-3 O=C(O)c1ccc(N)cc1Cl    1.330
*2459-09-8 O=C(OC)c1ccncc1    0.870
*2474-50-2 O=C1Nc2cc(c(cc2(NC1(=O)))C)C    1.340
*2486-52-4 O=C(O)c1ccc(N)cc1Br    1.490
*2486-70-6 O=C(O)c1ccc(N)c(c1)C    1.370
*2486-75-1 O=C(O)c1ccc(N)cc1C    1.140
*2486-80-8 O=C(O)c1ccc(N)cc1(OC)    0.450
*2495-37-6 O=C(OCc1ccccc1)C(=C)C    2.530
*2513-25-9 O1c2ccccc2(C=CC1(C)C)    3.310
*2516-96-3 O=C(O)c1cc(ccc1Cl)[N+](=O)[O-]    2.030
*2519-75-7 c1cc(c(cc1NCCN(CC)CC)Cl)C    4.140
*2521-24-6 NC(c1ccc(cc1)Cl)=S    2.400
*2537-29-3 O=C1NC(=O)C(C(=O)N1)(CC=C)CC(O)C   -0.050
*2589-65-3 O=C(Oc1ccc(c(c1)C)Cl)NC    2.570
*2593-15-9 n1c(nsc1OCC)C(Cl)(Cl)Cl    3.370
*2598-29-0 O=C(Oc1cccc2cccnc12)C    2.030
*2600-69-3 O=P(OCC)(OCC)SCSCC    2.070
*2617-79-0 O=CNc1ccc(cc1)Cl    2.040
*2620-53-3 O=C(Oc1ccc(cc1)Cl)NC    2.010
*2622-07-3 O=P(N(CC)CC)(N(CC)CC)N(CC)CC    2.530
*2622-26-6 N#Cc1ccc3c(c1)N(c2ccccc2S3)CCCN4CCC(O)CC4    3.520
*2626-81-5 O=C(Oc1ccccc1C(C)(C)C)NC    2.650
*2631-40-5 O=C(Oc1ccccc1C(C)C)NC    2.310
*2631-42-7 O=C(Oc1ccccc1CC)NC    1.930
*2646-26-6 O=C(NN)Nc1ccc(cc1)Br    1.000
*2648-01-3 O=C1Nc3ccccc3(C(=NC1)c2ccccc2(F))    2.380
*2652-77-9 O=C3N(c1ccccc1)N(c2ccccc2)C(=O)C3    1.450
*2655-14-3 O=C(Oc1cc(cc(c1)C)C)NC    2.230
*2664-63-3 Oc1ccc(cc1)Sc2ccc(O)cc2    3.340
*2668-24-8 Oc1c(OC)cc(c(c1Cl)Cl)Cl    3.720
*2689-47-6 O=C(Oc1cccc(c1)C(=O)C)N(C)C    1.180
*2696-84-6 Nc1ccc(cc1)CCC    2.400
*2700-22-3 N#CC(C#N)=Cc1ccccc1    2.180
*2706-22-1 O=C(NNC(=O)C)Nc1ccc(cc1)Br    1.380
*2752-68-3 O=C(Oc1cc(c(cc1Cl)Cl)C)NC    3.000
*2757-10-0 O=C(C=Cc1ccccc1)NC    1.810
*2772-46-5 O(c1cc(c(cc1(OC))Cl)Cl)C    3.110
*2784-27-2 O=C1NC(=O)C(N1)(c2ccccc2)c3ccc(O)cc3    1.700
*2801-68-5 O(c1ccc(OC)c(c1)CC(N)C)C    1.720
*2847-30-5 n1ccnc(c1OC)C    1.240
*2854-99-1 O=S(=O)(N)c2cc1c(N=C(NS1(=O)(=O))CCC)cc2Cl    1.210
*2891-09-0 O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2))N(C)C)C    2.630
*2924-27-8 FC(F)(F)CN(c1ccccc1)CC(F)(F)F    3.690
*2955-38-6 O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2))Cl)CC4CC4    3.730
*2973-78-6 O=Cc1ccc(O)c(c1)Br    1.830
*2974-90-5 c1cc(cc(c1)Cl)c2ccc(cc2)Cl    5.150
*2974-92-7 c1ccc(cc1)c2ccc(c(c2)Cl)Cl    5.290
*2979-53-5 O=C(Oc1cccc(c1)[N+](=O)[O-])CNC(=O)c2ccccc2    2.460
*2979-54-6 O=C(Oc1ccccc1)CNC(=O)c2ccccc2    2.310
*2989-17-5 O=C(OC)COc1ccccc1C    2.080
*3006-96-0 O=C(O)c1ccc(cc1)CO    0.930
*3011-34-5 O=Cc1ccc(O)c(c1)[N+](=O)[O-]    1.480
*3034-38-6 O=[N+]([O-])c1nc[nH]c1   -0.060
*3085-54-9 O=CNc1ccc(cc1)C    1.610
*3116-76-5 O=C(O)C4N3C(=O)C(NC(=O)c1c(noc1C)c2c(cccc2Cl)Cl)C3SC4(C)(C)    2.910
*3117-02-0 O=C1C=CC(=O)C(OC)=C1(OC)    0.340
*3117-05-3 O=C1C=C(OC)C(=O)C(OC)=C1(OC)    0.220
*3118-68-1 N#Cc1cccc(c1)S(=O)(=O)N    0.240
*3140-93-0 c1csc(c1Br)Br    3.530
*3149-01-7 O=C(NC(C)C)NS(=O)(=O)c1ccccc1    1.340
*3149-28-8 n1ccnc(OC)c1    0.730
*3150-53-6 N#Cc1ccc(n1CCO)[N+](=O)[O-]    0.600
*3156-34-1 O=[N+]([O-])C=Cc1ccccc1Cl    2.850
*3156-41-0 O=[N+]([O-])C=Cc1ccc(cc1)[N+](=O)[O-]    1.890
*3156-44-3 O=[N+]([O-])C=Cc1cccc(O)c1    2.070
*3160-35-8 O=C(C=Cc1ccc(O)cc1)C    1.860
*3160-38-1 O=C(C=Cc1ccc(cc1)C)C    2.650
*3163-07-3 O=[N+]([O-])c1ccc(O)cc1(O)    1.050
*3179-08-6 O=[N+]([O-])C=Cc1ccc(O)cc1    2.120
*3179-09-7 O=[N+]([O-])C=Cc1cccc(OC)c1    2.370
*3201-53-4 O=C(NC(=O)c1ccccc1)NC    1.270
*3211-40-3 O=S(=O)(N)c3cc1c(N=C(NS1(=O)(=O))Cc2ccccc2)cc3Cl    1.700
*3229-00-3 C(C(CBr)(CBr)CBr)Br    3.990
*3256-99-3 O=S(=O)(N)c2cc1c(N=CNS1(=O)(=O))cc2C   -0.320
*3290-99-1 O=C(NN)c1ccc(OC)cc1    0.250
*3307-39-9 O=C(O)C(Oc1ccc(cc1)Cl)C    2.310
*3326-88-3 O=C1C=CSS1    0.820
*3337-71-1 O=C(OC)NS(=O)(=O)c1ccc(N)cc1   -0.270
*3347-22-6 N#CC2=C(C#N)SC=1C(=O)c3ccccc3(C(=O)C=1S2)    2.840
*3354-41-4 C1=C(C(=S)SS1)C    2.180
*3357-42-4 n1nc([nH]c1)c2ccccc2    1.540
*3373-86-2 O=C(Oc1ccccc1[N+](=O)[O-])N(C)C    1.350
*3380-34-5 Oc2cc(ccc2(Oc1ccc(cc1Cl)Cl))Cl    4.760
*3416-05-5 O=C1NC(=O)N(C=C1C)C2OC(CO)CC2   -0.600
*3435-28-7 n1cnc(cc1N)C    0.190
*3438-48-0 n1cnc(cc1)c2ccccc2    1.920
*3445-76-9 c1ccc(cc1)C2=CC(=S)SS2    3.670
*3467-29-6 c1cc(ccc1C2=CSSC2=S)C    3.730
*3467-32-1 O=C1C(=CSS1)c2ccccc2    2.640
*3530-82-3 O=C1NC(=O)C(N1)Cc2ccccc2    0.600
*3544-35-2 O=C(NNC(C)C)COc1ccc(cc1)Cl    2.020
*3547-33-9 OCCSCCCCCCCC    3.640
*3558-69-8 n1c(cccc1c2ccccc2)c3ccccc3    4.820
*3615-21-2 FC(F)(F)c2nc1c(ccc(c1Cl)Cl)[nH]2    3.490
*3619-02-1 O=C(OC)C(NC(=O)C)C   -0.570
*3688-82-2 O=C(c1ccccc1(OCC))N(CC)CC    2.500
*3695-86-1 N#CC(=Cc1occc1)C(=O)OC    1.650
*3735-01-1 O(c1ccc(N)cc1)P(OCC)(OCC)=S    2.600
*3740-92-9 n1c(nc(cc1Cl)Cl)c2ccccc2    4.170
*3741-15-9 O=[N+]([O-])c2ccnc1ccccc12    2.060
*3759-90-8 O=C1OCC(=O)N1c2ccccc2    0.930
*3761-48-6 O=C(NCCN(CC)CC)c1ccc(N)cc1(OC)    1.400
*3766-81-2 O=C(Oc1ccccc1C(C)CC)NC    2.780
*3813-05-6 O=C(O)CN2C(=O)Sc1cccc(c12)Cl    1.340
*3878-19-1 n1c3ccccc3([nH]c1c2occc2)    2.670
*3894-63-1 O=C1Nc3ccccc3(C(=NC1)c2ccc(cc2)C(F)(F)F)    3.340
*3938-20-3 O=C(Oc1cccc(OC(C)C)c1)NC    1.960
*3942-71-0 O=C(Oc1cc(ccc1C(C)C)C)NC    2.840
*3971-99-1 O=C(Oc1cc(ccc1C)C)NC    2.030
*3988-76-9 O=C(C=Cc1occc1)c2occc2    2.340
*4016-11-9 O(CC)CC1OC1    0.360
*4089-04-7 O=C(Oc1ccc2ccccc2(c1))NC    2.560
*4096-20-2 c1ccc(cc1)N2CCCCC2    2.980
*4151-47-7 O=C(Nc1ccc(O)c(c1)C(C)(C)C)C    2.360
*4201-24-5 N(=C1NCCN1)c2c(cccc2Cl)C    1.710
*4228-88-0 FC(F)(F)c2nc1c(cc(cc1Cl)Cl)[nH]2    3.490
*4241-40-1 O=C1NC(=O)C(C(=O)N1)(CC)C(C)CC(O)C    0.350
*4265-25-2 o1c2ccccc2(cc1C)    3.220
*4300-27-0 C(#CC#CC)C#Cc1ccccc1    4.910
*4318-15-4 O=C1C(=CSS1)CC    1.900
*4360-12-7 OC1N5C3CC(C1(CC))C6C(O)C4(c2ccccc2N(C)C34)(CC56)    1.810
*4371-23-7 O=S(=O)(N)c1ccc(cc1)c2ccccc2    2.240
*4376-18-5 O=C(O)c1ccccc1(C(=O)OC)    1.130
*4383-07-7 Oc1ccc(cc1CO)C    0.970
*4406-41-1 O=C(Nc1ccccc1)C(C)C    1.950
*4412-35-5 O=C2c3cccc(c3(OC(c1ccccc1)=C2C))CC=C    4.670
*4425-56-3 N#CC1=CNC(=O)NC1(=O)   -0.930
*4426-90-8 O=S(=O)(N)c1ccc(cc1)NS(=O)(=O)C   -0.400
*4521-28-2 O=C(O)CCCc1ccc(OC)cc1    2.330
*4546-55-8 O=C(Nc3ncnc1c3(ncn1C2OC(CO)C(O)C2(O)))c4ccccc4   -0.100
*4546-72-9 O=C(Nc3ncnc1c3(ncn1C2OC(CO)C(O)C2))c4ccccc4    0.220
*4551-72-8 O=C(N)c1ccc[nH]1    0.090
*4551-76-2 O=C(N)c1cc(c(c(c1)[N+](=O)[O-])C)[N+](=O)[O-]    0.680
*4564-87-8 O=CCC3CC(C(=O)C=CC4OC4(CC(OC(=O)CC(OC(=O)C)C(OC)C3(OC2OC(C)C(OC1OC(C)C(OC(=O)CC(C)C)C(O)(C)C1)C(N(C)C)C2(O)))C))C    3.040
*4597-87-9 n1ccccc1NC    1.120
*4671-97-0 O=C(Nc1ccccc1)CN2CCCCC2    2.710
*4764-17-4 O1c2ccc(cc2(OC1))CC(N)C    1.640
*4774-24-7 n1c3ccccc3(ccc1N2CCNCC2)    2.040
*4780-79-4 OCc2cccc1ccccc12    2.370
*4794-83-6 N(c1ccc(cc1C)C)=C2NCCN2    1.790
*4796-68-3 O=C(OC2C1C=CC2(C=C1))c3ccccc3    3.030
*4836-13-9 O=C1N=C(C=CN1C2OC(CO)C(O)C2)NC(=O)c3ccccc3    0.670
*4849-46-1 O=C(Nc1cccc(O)c1)N(C)C    0.510
*4871-13-0 O=C1NC(=O)N(C=C1(F))Cc2ccccc2    0.890
*4871-30-1 O=C(OC)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]    2.050
*4925-19-3 O=C(NCCN(CC)CC)c1cc(F)cc(c1(OC))Cl    3.180
*4941-45-1 O=C2Nc1c(cc(cc1C)[N+](=O)[O-])C(=NC2)c3ccccc3    2.440
*4980-73-8 O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2[N+](=O)[O-]))[N+](=O)[O-]    1.610
*5003-48-5 O=C(Oc1ccc(cc1)NC(=O)C)c2ccccc2(OC(=O)C)    2.150
*5021-43-2 n1cc(nc2ccccc12)c3ccccc3    3.480
*5048-08-8 c1cc(ccc1C2=CCN(C)CC2)Cl    3.320
*5104-49-4 O=C(O)C(c1ccc(c(F)c1)c2ccccc2)C    4.160
*5182-90-1 O=C(N)c1nc2ccccc2(nc1)    0.980
*5183-78-8 O=S(=O)(NC)c1ccccc1    0.920
*5215-27-0 O=C(Nc1cccc(F)c1)Cc2ccccc2    3.100
*5215-28-1 O=C(Nc1ccc(F)cc1)Cc2ccccc2    2.860
*5234-68-4 O=C(Nc1ccccc1)C2=C(OCCS2)C    2.140
*5240-72-2 OCC2CC1CCC2(C1)    1.990
*5250-39-5 O=C(O)C4N3C(=O)C(NC(=O)c1c(noc1C)c2c(F)cccc2Cl)C3SC4(C)(C)    2.580
*5251-93-4 O=C(O)CONC(=O)c1ccccc1   -0.270
*5285-87-0 N#CSc1ccccc1    2.540
*5305-00-0 O=C2ON(c1ccccc1)C(=O)C2    0.540
*5332-25-2 n1cccc2cc(ccc12)Br    2.830
*5334-39-4 O=[N+]([O-])c1c[nH]nc1C    1.020
*5344-49-0 O=C(O)c1c(cccc1Cl)[N+](=O)[O-]    1.560
*5346-38-3 n1ccccc1C(N)=S    1.240
*5348-75-4 O=C(O)COc1ccccc1c2ccccc2    2.830
*5350-57-2 N(N)=C(c1ccccc1)c2ccccc2    2.790
*5351-23-5 O=C(NN)c1ccc(O)cc1   -0.330
*5355-16-8 n1cc(c(nc1N)N)Cc2ccc(OC)c(OC)c2    0.970
*5363-33-7 O=C(N)c1ccccc1(NCCCC)    2.330
*5405-53-8 O=[N+]([O-])c2ccc3c1ccc(cc1Cc3(c2))[N+](=O)[O-]    3.350
*5406-33-7 O=C(OCc1ccc(cc1)Cl)C    2.590
*5415-68-9 O=C(Nc1cc(F)cc(c1Cl)C(F)(F)F)C    2.860
*5416-18-2 O=C1C(OC)=C(C(=O)c2ccccc12)C    2.140
*5422-81-1 O=C(C=Cc1ccccc1)N2CCCCC2    2.740
*5446-77-5 O=C(OCC)c1ccc(cc1)S(=O)(=O)N    1.170
*5446-92-4 O=[N+]([O-])c1cnc(OC)cc1    1.550
*5455-59-4 O=[N+]([O-])c1ccccc1S(=O)(=O)N    0.340
*5470-96-2 O=Cc1nc2ccccc2(cc1)    2.140
*5493-24-3 O=C(OCN1C(=O)c2ccccc2(C1(=O)))C    1.150
*5510-99-6 Oc1c(cccc1C(C)CC)C(C)CC    4.360
*5571-63-1 O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2))C    2.620
*5581-75-9 O=C(O)CCCCCc1ccccc1    3.270
*5593-20-4 O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CC)(C(=O)COC(=O)CC)C4(C)(CC(O)C23(F)))(C)    4.070
*5621-02-3 n1cccnc1N(C)C    1.070
*5666-21-7 C=CCNCCC    1.330
*5710-12-3 O=C(NO)NCCC   -0.220
*5715-02-6 N#Cc1ccccc1(OC(=O)C)    1.330
*5818-06-4 O=C(NN)c1cccc(O)c1   -0.080
*5830-33-1 O=C(N(C)C)CC1CCCCC1    2.190
*5841-66-7 O=C1OC(C(=O)N1C)c2ccccc2    1.060
*5884-48-0 O=C(O)Cc2ccc(OCc1ccccc1)c(c2)Br    3.510
*5888-34-6 OC1CC2CCC1C2(O)    0.400
*5983-09-5 O=C1C=CN(C(=O)N1)C2OC(CO)CC2   -1.000
*6032-29-7 OC(C)CCC    1.190
*6125-89-9 C12(=C(CCCCC1)SSC2=S)    3.270
*6130-75-2 O(c1cc(c(cc1Cl)Cl)Cl)C    3.850
*6141-18-0 n1cc2ccccc2(nc1SC)    2.500
*6141-57-7 O=C(OC)c1occc1C    1.510
*6149-23-1 O=C1c3ccccc3(C(=O)C1c2cccc(OC)c2)    2.880
*6178-42-3 O=[N+]([O-])C=Cc1ccc(O)c(OC)c1    1.880
*6236-05-1 O=[N+]([O-])c1oc(C=NO)cc1    0.300
*6280-88-2 O=C(O)c1ccc(cc1[N+](=O)[O-])Cl    2.080
*6281-23-8 O=C(O)C=Cc1oc(cc1)[N+](=O)[O-]    0.680
*6285-68-3 n1c(N)[nH]c2cc(ccc12)C    1.110
*6298-37-9 n1ccnc2cc(N)ccc12    0.900
*6304-39-8 O=C(NN)CCCCCCC    1.000
*6325-93-5 O=[N+]([O-])c1ccc(cc1)S(=O)(=O)N    0.640
*6335-39-3 O=S(=O)(N)c1ccc(cc1)C(C)C    1.840
*6344-63-4 Nc2cccc3c1ccccc1Cc23    3.180
*6415-07-2 O=P(N1CCCC1)(N2CCCC2)N3CCCC3    1.670
*6457-92-7 O=C2Oc1c3ccoc3(ccc1C(=C2)C)    2.320
*6479-24-9 O=C(Nc1nc2ccccc2(nc1))C    1.530
*6514-54-1 O=C(NC2c1ccccc1CC2)CN(CC)CC    2.740
*6547-53-1 O=C(O)Cc2ccc(OCc1ccccc1)cc2    2.720
*6560-83-4 n1c2ccccc2(ccc1I)    3.040
*6609-40-1 O=[N+]([O-])c1cc2[nH]c(nc2(cc1Cl))C(F)(F)F    3.210
*6625-74-7 O=C(Nc1ccccc1)C(C)(C)C    1.990
*6628-97-3 O=C2C=C(Nc1ccccc1)C(=O)c3ccccc23    2.840
*6631-37-4 n1ccccc1Nc2ccccc2    2.750
*6640-24-0 c1cc(cc(c1)Cl)N2CCNCC2    2.110
*6678-00-8 O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CCCC    3.620
*6723-40-6 O=C1c3ccccc3(C(=O)C1c2ccc(cc2)C(F)(F)F)    3.780
*6742-07-0 O=C1N=C(N)C=CN1C2OC(COC(=O)C)C(OC(=O)C)C2(OC(=O)C)   -0.800
*6768-20-3 O=C(OCC)C(=Cc1ccccc1Cl)C(=O)OCC    3.150
*6768-21-4 O=C(OCC)C(=Cc1cccc(c1)Cl)C(=O)OCC    3.490
*6850-22-2 O=[N+]([O-])c1ccc2cn(nc2(c1))C    1.760
*6898-86-8 [O-][n+]2onc(c1ccccc1)c2C    2.170
*6898-87-9 [O-][n+]2onc(c2(c1ccccc1))C    2.160
*6915-15-7 O=C(O)CC(O)C(=O)O   -1.260
*6921-83-1 c1cc(ccc1C2=CC(=S)SS2)C    4.260
*6933-10-4 Nc1ccc(c(c1)C)Br    2.530
*6936-40-9 O(c1c(c(cc(c1Cl)Cl)Cl)Cl)C    4.680
*6954-35-4 O=[N+]([O-])c1ncn(c1S(=O)(=O)Oc2ccccc2)C    1.080
*6963-65-1 O=[N+]([O-])c1[nH]cnc1Br    0.850
*6969-90-0 O=C(Oc1ccccc1)N(C)C    1.560
*6981-18-6 n1cc(c(nc1N)N)Cc2cc(OC)c(OC)cc2C    1.230
*7011-98-5 O=C1OC(c2ccccc12)Cc3ccccc3    3.120
*7012-37-5 c1cc(ccc1c2ccc(cc2Cl)Cl)Cl    5.620
*7057-48-9 OCC1OC(C=C1)n3cnc2c(ncnc23)N   -0.500
*7113-30-6 C1=C(C(=S)SS1)CC    2.670
*7151-19-1 O=C(NC)c1cccn1C    0.710
*7160-01-2 O=C(Nc1ccc(cc1)C)N(C)C    1.330
*7236-57-9 O=C1NC(C(=CN1C2OC(CO)C(O)C2)C)=S   -0.070
*7242-07-1 O=C1OCC(=C1)C6C(OC(=O)C)CC7(O)(C8CCC5CC(OC4OC(C)C(OC3OC(C)C(OC2OC(C)C(O)C(O)C2)C(O)C3)C(O)C4)CCC5(C)C8(CCC67(C)))    2.160
*7247-89-4 O=NN1CCCCC1C    0.710
*7305-10-4 O=C(Oc1ccc(OC)cc1)N(C)C    1.530
*7307-04-2 O=C(C)CC(=O)C(C)(C)C    1.670
*7391-69-7 O=C1NC(=O)C(C(=O)N1)C(C)C   -0.020
*7409-30-5 O=[N+]([O-])c1ccc(cc1)CN    1.060
*7443-52-9 OC1CCCCC1(C)    1.830
*7466-54-8 O=C(NN)c1ccccc1(OC)    0.250
*7559-36-6 O=[N+]([O-])C=Cc1ccc(cc1)C    2.660
*7560-83-0 N(C)(C1CCCCC1)C2CCCCC2    3.710
*7561-67-3 O=C3c1ccccc1C(=O)C3(c2ccc(cc2)CC)    3.920
*7681-76-7 O=C(OCc1ncc(n1C)[N+](=O)[O-])N   -0.380
*7682-34-0 n1c([nH]c2c1c(c(c(c2Cl)Cl)Cl)Cl)Cl    4.530
*7682-38-4 n1c([nH]c(c1Cl)Cl)Cl    1.850
*7692-57-1 n1c2ccc(cc2([nH]c1SC))Cl    3.220
*7695-63-8 OC(COc1ccccc1)CNC(C)C    1.720
*7752-27-4 O=C(Nc1ccccc1S(=O)(=O)N)C(CC)CC    1.620
*7756-44-7 O=S(=O)(Nc1nc(nc(OC)c1)CC)c2ccc(N)cc2    1.000
*7761-45-7 n1c(nc(c(c1N)c2ccc(c(c2)Cl)Cl)C)N    2.820
*7778-06-5 O=P1(N(C)C)(N(C)CCN1(C))    0.020
*10061-64-0 O=C(N)C(NC(=O)C)CS   -0.290
*10078-46-3 O=C(C=CN1CC=CC1)c2cc(OC)c(OC)c(OC)c2    1.770
*10249-33-9 O=C(C=CC)Nc1ccc(c(c1)Cl)Cl    3.630
*10264-18-3 O=C(Nc1ccccc1)CCCC    2.610
*10290-38-7 O=C(Nc1cc(cc(c1)Cl)Cl)N(C)C    3.070
*10315-98-7 O1CCN(CC1)CC(C)C    1.170
*10369-88-7 O=C(OCCN(CC)CC)C=Cc1ccccc1    3.610
*10502-44-0 O=C(O)C(O)c1ccc(OC)cc1    0.630
*10507-52-5 O=C(OCc1ccccc1)N(C)C    2.160
*11039-70-6 OC1(C)(CCC(C(=C)C)C1(C))    2.870
*12771-68-5 OC(c1cncnc1)(c2ccc(OC)cc2)C3CC3    1.910
*13031-43-1 O=C(Oc1ccc(cc1)C(=O)C)C    1.290
*13050-41-4 O=C(NN)NCC   -1.620
*13129-23-2 O=C(OC)c1cocc1    1.280
*13136-29-3 O=C(c1ccccc1)N(NC(Nc2ccccc2)=S)C    2.470
*13140-76-6 O=C(Nc1cccc(c1)[N+](=O)[O-])Cc2ccccc2    2.930
*13140-86-8 O=C(Nc1ccccc1)NC2CC2    1.650
*13194-48-4 O=P(OCC)(SCCC)SCCC    3.590
*13207-50-6 c1ccc(cc1)NNC(NC)=S    1.170
*13314-63-1 c1ccc(cc1)C2=CCN(CC)CC2    3.180
*13351-73-0 n1nn(c2ccccc12)C    1.130
*13491-47-9 O=C1N=C(C=CN1C2OC(CO)C(O)C2(O))NC(=O)C   -1.350
*13509-38-1 O=C(Nc1ccccc1)SC    2.400
*13538-50-6 O=C(Oc1ccc(cc1)Br)NC    2.170
*13609-67-1 O=C(OC3(C(=O)CO)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CCC    3.180
*13671-00-6 O=C(OC)c1c(F)cccc1(F)    1.960
*13707-23-8 O=C(c1ccc(cc1)C)N2CCCCC2    2.800
*13708-12-8 n1ccnc2c1cccc2C    2.040
*13797-63-2 FC(F)(F)c1nc2ncccc2([nH]1)    1.380
*13815-60-6 O=C(c1ccccc1)N(N=CC)c2ccccc2    2.760
*13838-16-9 FC(F)OC(F)(F)C(F)Cl    2.100
*13858-89-4 n1c(oc2ccccc12)N(C)C    2.100
*13909-69-8 O=C(NC)NS(=O)(=O)c1ccc(cc1)C    0.950
*13935-94-9 O=C3c1ccccc1C(=O)C3(c2cccc(c2)C(C)C)    4.430
*13935-95-0 O=C3c1ccccc1C(=O)C3(c2cccc(c2)C(C)(C)C)    4.880
*13961-64-3 O=C2N=C(c1ccccc1)c3cc(ccc3(N2))C    2.320
*13993-02-7 O=C(Nc1ccccc1C)CN2CCCCC2    2.260
*14001-64-0 n1c(cc(nc1SC)C)C    1.860
*14061-27-9 O=C(Oc1cccc(c1)C(F)(F)F)NC    2.370
*14062-78-3 O=C(c1ccc(cc1)C)N(C)C    1.720
*14073-97-3 O=C1CC(C)CCC1C(C)C    3.050
*14085-33-7 C12(=C(CCC1)SSC2=S)    2.530
*14090-88-1 O=C(CC(=O)CCC)CCC    2.230
*14098-20-5 NC3C2c1ccccc1C3(CC2)    2.110
*14174-09-5 O1c3ccccc3(OCCOCCOCCOc2ccccc2(OCCOCCOCC1))    2.110
*14214-32-5 O=C(Nc2ccc(Oc1ccc(OC)cc1)cc2)N(C)C    2.540
*14255-72-2 O=S(=O)(c1ccc(OP(OCC)(OCC)=S)cc1)C    2.560
*14293-44-8 O=C(Nc1c(cccc1C)C)c2cc(c(cc2(O))Cl)S(=O)(=O)N    2.190
*14300-33-5 OC(C1CC1)C2CC2    1.070
*14339-54-9 O=C(NN)c1ccnc(c1)CCC    0.630
*14377-19-6 O=C(O)Cc1ccc(cc1)CCCC    3.250
*14387-10-1 O=C(O)Cc1ccc(cc1)CC    2.250
*14417-01-7 O=S(=O)(c1ccccc1)N(C)C    1.350
*14440-78-9 OC2C1CCC(C1)C2(O)    0.440
*14521-96-1 Oc6ccc5c2c6(OC3C1(OC)(C=CC4(CC1C(O)(C)CCC)(C(N(C)CCC234)C5)))    2.790
*14529-53-4 n1ccccc1OCC    1.810
*14559-55-8 O=S2(=O)(NC(=Nc1cc(ccc12)Cl)CC)    1.610
*14676-37-0 O=C(Nc1ccccc1(OC))C(Cl)Cl    2.410
*14680-18-3 O=C(NCc1ccccc1(O))c2ccccc2    2.550
*14884-03-8 n1cc(OC(C)C)c[nH]1    1.130
*14908-49-7 O=C(c1ccc(cc1)[N+](=O)[O-])N(N)C    0.750
*14920-87-7 O=C(OC)c1c(cccc1Cl)Cl    2.790
*14949-00-9 O=S(=O)(N)c1nnc(N)s1   -0.900
*14985-34-3 O=C1C=CN(C(=O)N1Cc2ccccc2)C3OC(CO)C(O)C3(O)    0.330
*15018-66-3 n1cnc2ccccc2(c1N)    1.280
*15045-43-9 O1C(C)(C)CCC1(C)C    2.060
*15233-37-1 N=1C(=NC(N(C=1N)c2ccc(cc2)C)(C)C)N    0.850
*15267-77-3 O=C(O)COc1ccc(c(c1)C)S(=O)(=O)C    0.540
*15299-99-7 O=C(N(CC)CC)C(Oc1cccc2ccccc12)C    3.360
*15301-48-1 N#CC(c1ccccc1)(c2ccccc2)CCN5CCC(N4C(=O)N(C(=O)CC)c3ccccc34)CC5    4.800
*15327-44-3 N(c1cccc(c1Cl)Cl)=C2NCCN2    1.940
*15327-50-1 N(c1cc(ccc1Cl)Br)=C2NCCN2    2.050
*15386-80-8 N#CCC(=O)Nc1ccc(c(c1)Cl)Cl    2.720
*15402-79-6 O(c1cc(OC)c(c(OC)c1)CC(N)C)C    1.570
*15402-81-0 O(c1cccc(c1(OC))CC(N)C)C    1.490
*15422-25-0 O=C(NC)COc1ccccc1    1.020
*15482-11-8 O=C(Oc1ccccc1CCC)NC    2.400
*15545-48-9 O=C(Nc1ccc(c(c1)Cl)C)N(C)C    2.410
*15725-21-0 O=C(OCC)C(=Cc1cccc(F)c1)C(=O)C    2.460
*15725-23-2 O=C(OCC)C(=Cc1cccc(c1)Cl)C(=O)C    2.970
*15725-24-3 O=C(OCC)C(=Cc1ccccc1(OC))C(=O)C    2.390
*15725-25-4 O=C(OCC)C(=Cc1cccc(OC)c1)C(=O)C    2.340
*15725-28-7 O=C(OCC)C(=Cc1cccc(OCCC)c1)C(=O)C    3.340
*15753-84-1 O=C(C=Cc1cccc(c1)C)C    2.680
*15798-77-3 O=C1Oc3c(C=C1)ccc2oc(cc23)C    2.550
*15804-61-2 N#CC(=Cc1ccccc1)C(=O)Nc2ccccc2    3.410
*15861-24-2 N#Cc1ccc2[nH]ccc2(c1)    2.380
*15862-07-4 c1ccc(cc1)c2cc(c(cc2Cl)Cl)Cl    5.810
*15879-93-3 OCC(O)C2OC1OC(OC1C2(O))C(Cl)(Cl)Cl    1.020
*15907-85-4 O=C(Nc1ccc(c(c1)Cl)Cl)C2CCCCC2    4.720
*15940-62-2 O=C(NN)Nc1cccc(c1)C    0.680
*15940-63-3 O=C(NN)Nc1ccccc1C    0.360
*15986-80-8 n1ccnc(c1C)CCC    1.570
*15987-00-5 n1ccnc(c1C)CCCC    2.100
*16051-77-7 O=[N+]([O-])OC1COC2C(O)COC12   -0.280
*16063-70-0 n1cc(cc(c1Cl)Cl)Cl    3.110
*16135-31-2 O=CNc1ccc(cc1)[N+](=O)[O-]    1.430
*16143-84-3 O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C    3.720
*16463-74-4 O=C(OC3(C(=O)CO)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))C    2.300
*16583-98-5 O=C(O)C(n1nc2ccccc2(n1))(C)C    0.640
*16584-05-7 n1nn(c2ccccc12)CC    1.580
*16605-91-7 c1ccc(cc1)c2cccc(c2Cl)Cl    5.020
*16606-02-3 c1cc(ccc1c2cc(ccc2Cl)Cl)Cl    5.690
*16620-75-0 N=C(c1ccc(cc1)C)c2ccc(cc2)C    3.710
*16664-12-3 O=C(OC)Nc1ccccc1(F)    1.660
*16805-99-5 O=S(=O)(Nc1ncc(cc1)Br)c2ccc(N)cc2    2.300
*16822-80-3 N(c1cc(ccc1C)Br)=C2NCCN2    1.940
*16822-85-8 N(c1cc(ccc1C)Cl)=C2NCCN2    1.830
*16839-97-7 O(c1cccs1)C    2.130
*16859-59-9 O=C1OC(O)c2ccccc12    0.570
*16867-29-1 O=C1C(=C(N=C2C=CC=CN12)C)C    1.000
*16867-53-1 O=C(OCC)C2=CN=C1C=CC=C(N1C2(=O))C    0.960
*16926-87-7 O=C(OCC(O)COc1ccccc1)C(=C)C    2.270
*16927-82-5 O=C(C=Cc1ccccc1C)C    2.600
*16935-34-5 O=C1NC(=O)C(N1)C(C)C   -0.360
*17075-29-5 O=C(NNC(=O)C)Nc1ccc(cc1)C    0.670
*17075-30-8 O=C(NNC(=O)C)Nc1ccc(OC)cc1    0.110
*17075-31-9 O=C(NNC(=O)C)Nc1ccc(cc1)Cl    1.120
*17220-38-1 n1onc(N)c1N   -0.490
*17249-80-8 c1cscc1Cl    2.550
*17306-43-3 O=[N+]([O-])c1nccn1C2OC(CO)C(O)C2(O)   -1.150
*17348-59-3 O(C(C)C)C(C)(C)C    2.140
*17422-56-9 O=C(OCC)C(=Cc1ccccc1[N+](=O)[O-])C(=O)OCC    2.540
*17433-92-0 O=C(NN)Nc1cccc(c1)[N+](=O)[O-]   -0.130
*17433-93-1 O=C(NN)Nc1ccc(cc1)[N+](=O)[O-]   -0.180
*17584-90-6 O=C1c2ccccc2(OC(=C1C)C)    2.310
*17647-69-7 n1onc(c1C)CC    1.180
*17647-70-0 n1onc(c1N)C    0.090
*17650-76-9 O=[N+]([O-])c1ccc(OP(=O)(OC)OC)c(c1)Cl    1.830
*17700-09-3 O=[N+]([O-])c1ccc(c(c1Cl)Cl)Cl    3.610
*17781-16-7 O=C1c2cccc(O)c2(OC1(C)C)    1.870
*17902-23-7 O=C1NC(=O)N(C=C1(F))C2OCCC2   -0.270
*17942-66-4 O=C(O)C4=C(COC(=O)C)CSC3N4(C(=O)C3(NC(=O)Cc2cc1ccccc1s2))    1.680
*18109-43-8 O=C(Nc1cccc(c1)Cl)Cc2ccccc2    3.610
*18138-04-0 n1cc(nc(c1CC)CC)C    1.950
*18181-80-1 O=C(OC(C)C)C(O)(c1ccc(cc1)Br)c2ccc(cc2)Br    5.400
*18315-50-9 O=C(Oc1ccc(c(c1)Cl)Cl)NC    2.800
*18315-52-1 N#Cc1ccc(OC(=O)NC)cc1    0.950
*18315-62-3 O=C(Oc1cc(ccc1Cl)Cl)NC    2.440
*18597-57-4 O=C1C=C(NN1c2nc(nc(c2)C)C)C    0.890
*18694-41-2 n1cnc(cc1)n2nc(cc2(OC))C    0.500
*18698-96-9 O=C(O)Cc1ccccc1I    2.330
*18740-23-3 n1cnc(c2c1ccs2)N3CCOCC3    1.650
*18874-52-7 O=[N+]([O-])c1[nH]c(nc1Br)C    1.140
*18979-50-5 Oc1ccc(OCCC)cc1    2.330
*18984-21-9 O=[N+]([O-])C=Cc1ccc(cc1Cl)Cl    3.260
*19055-50-6 O=C1c3ccccc3(C(=O)C1c2cc(OC)cc(OC)c2)    2.860
*19096-41-4 O=C(NC(C1OC(C(O)C(O)C1(O))SC)C(C)Cl)C2NCC(CCCCC)C2    2.740
*19183-16-5 O=[N+]([O-])c1nc([nH]c1[N+](=O)[O-])C    0.770
*19183-17-6 O=[N+]([O-])c1nc(n(c1[N+](=O)[O-])C)C    0.490
*19353-98-1 O=C(NN)c1ccnc(c1)N(CC)CC    1.120
*19411-80-4 O=C(OCC)C(=Cc1ccc(cc1)Cl)C(=O)C    3.040
*19590-05-7 O=P(Oc1cccc(c1)C(C)(C)C)(OC)NC    2.650
*19591-17-4 O=C(Nc1ccccc1I)C    1.620
*19607-41-1 O=C(OCC)C(C(=O)OCC)=C1SCCS1    2.450
*19670-19-0 O=P(Oc1ccc(cc1)Cl)(OC)NC    1.850
*19727-83-4 O=[N+]([O-])c1ccc2c(c1)NCC2    1.920
*19745-07-4 n1cc(ncc1Cl)Cl    1.580
*19837-74-2 O=S(=O)(Nc1ccc(OC)cc1)c2ccc(N)cc2    1.510
*19837-84-4 O=S(=O)(Nc1ccccc1(OC))c2ccc(N)cc2    1.560
*19837-88-8 O=[N+]([O-])c2ccccc2(NS(=O)(=O)c1ccc(N)cc1)    2.110
*20037-50-7 O=C(NS(=O)(=O)c1ccc(N)cc1)c2cc(ccc2C)C    2.190
*20046-63-3 O=S2(=O)(NC(=Nc1ccc(cc12)C(F)(F)F)C)    1.510
*20071-53-8 O=C1OC3C(C1(=C))C(OC(=O)C(=CC)C)CC(=C)C4C(O)C2OC2(C)C34(O)    1.690
*20149-84-2 O=C(Nc1ccc(c(c1)Cl)Cl)CCl    3.290
*20285-70-5 n1cc(c(nc1N)N)Cc2ccc(OC)cc2    1.340
*20285-74-9 n1cc(c(nc1N)N)Cc2cc(OC)c(OC)c(c2)Cl    1.920
*20344-69-8 n1cc(c(nc1N)N)Cc2cc(OC)cc(OC)c2    1.570
*20434-64-4 O=S2(=O)(NC(=Nc1ccccc12)C3CCCC3)    1.830
*20434-66-6 O=S2(=O)(NC(=Nc1ccccc12)Cc3ccccc3)    1.890
*20511-04-0 O=C(C=Cc1ccc(cc1)Br)C    3.030
*20634-92-8 N(CC)(CCC)CCC    2.680
*20725-03-5 O=C2c3ccc(O)cc3(OC(c1ccc(O)c(O)c1)C2(O))    0.870
*20838-40-8 OCC2OC(Oc1ccc(cc1)I)C(O)C(O)C2(O)    0.750
*20940-43-6 O=C(Nc1ccc(cc1)Br)N(C)C    2.190
*20991-71-3 O=C1OCC(=C1)C6CCC7(O)(C8CCC5CC(OC4OC(C)C(OC3OC(C)C(OC2OC(C)C(O)C(O)C2)C(O)C3)C(O)C4)CCC5(C)C8(CC(OC(=O)C)C67(C)))    2.290
*21085-65-4 O=C(NC(C(O)C)C1OC(C(O)C(O)C1(O))SCC)C2N(CC)CC(CCC)C2    1.910
*21087-58-1 O=C1C(=NN=C(N1(N))SC)C2OCCCC2    0.380
*21203-68-9 O=[N+]([O-])c1cnc(cc1)C    0.990
*21227-47-4 n1c(nc(nc1C)C(Cl)(Cl)Cl)N    1.770
*21256-18-8 O=C(O)CCc1nc(c(o1)c2ccccc2)c3ccccc3    4.190
*21316-30-3 N=1C(=NC(N(C=1N)c2ccc(OC)cc2)(C)C)N    0.400
*21507-14-2 Oc1ccc2c(c1)CCC3C2C(OC)CC4(C)(C(O)CCC34)    2.720
*21609-90-5 O(c1cc(c(cc1Cl)Br)Cl)P(OC)(c2ccccc2)=S    6.310
*21822-34-4 n1cc(c(nc1N)N)Cc3cc(OC)c(OCc2ccccc2)c(OC)c3    2.460
*21839-33-8 O=C(OCC)N1C=C(F)C(=O)NC1(=O)   -0.170
*21888-98-2 O=C2NC(=O)C(c1ccccc1)(CC2)C4CCN(Cc3ccccc3)CC4    3.550
*21914-07-8 O=C3NC(=O)C(c1ccccc1)(c2ccccc2)C(=O)N3    1.960
*21948-70-9 n1ccnc(c1)SC    1.170
*21948-73-2 n1cc(nc2ccccc12)SC    2.790
*21959-57-9 O=[N+]([O-])c2oc(C=Cc1noc(n1)N)cc2    1.300
*22042-71-3 O=Cc1ccc(OCC(=O)O)cc1    0.790
*22131-79-9 O=C(O)Cc1ccc(OCC=C)c(c1)Cl    2.480
*22189-31-7 O=S(=O)(c1ccc4c(c1)C(=CCCN2CCN(C)CC2)c3ccccc3S4)N(C)C    3.780
*22204-53-1 O=C(O)C(c1ccc2cc(OC)ccc2(c1))C    3.180
*22274-42-6 O(c1ccccc1)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl    6.370
*22275-34-9 O=C2NC(=O)C(c1ccccc1)C(=O)N2   -0.170
*22371-32-0 O=C(NN)CCCCCC    0.970
*22385-99-5 O=C(c1ccccc1)C(C)CN2CCCCC2    3.510
*22433-76-7 O=C(Nc1ccc2ncccc2(c1))C    1.550
*22609-88-7 O=C1OC(C(=O)C1)c2ccccc2    1.470
*22639-24-3 O=C1C=C(OC(=C1(O))CC)C    1.070
*22736-85-2 O=C(c1ccccc1)c2cccc(c2)NS(=O)(=O)C(F)F    2.860
*22913-26-4 O=C(OC)c1ccsc1    1.760
*23022-51-7 O=C(OCCOCCOCCO)c1ccccc1    1.090
*23099-85-6 n1nc(c3ccccc3(c1c2ccccc2))N(C)C    3.220
*23135-22-0 O=C(ON=C(C(=O)N(C)C)SC)NC   -0.480
*23138-95-6 O=C(Nc1cccc(c1)CC)NC    2.100
*23141-75-5 O=S(=O)(N)c1ccc2N=CNS(=O)(=O)c2(c1)   -0.700
*23141-80-2 O=S(=O)(N)c2cc1c(N=CNS1(=O)(=O))cc2C(F)(F)C(F)(F)F    1.050
*23186-94-9 O=C1NC(=O)C(N1)(Cc2ccccc2)Cc3ccccc3    2.460
*23374-51-8 O=C(OCC)C(NC(=O)CCCCSc2ncnc1[nH]cnc12)C    1.510
*23401-43-6 O=C(OCC)C(NC(=O)CCCCSc2ncnc1[nH]cnc12)C(C)C    1.890
*23404-73-1 O=C(OCC)CC(NC(=O)CCCCSc2ncnc1[nH]cnc12)C(=O)OCC    1.330
*23611-75-8 O=C(OC)c1nc(cnc1)Cl    0.470
*23690-13-3 O(c1ccc(c(OC)c1)CC(N)C)C    1.750
*23694-81-7 OC(COc1cccc2[nH]c(cc12)C)CNC(C)C    2.300
*23813-24-3 O=C(OC)c1nc(OC)cnc1    0.690
*23898-89-7 O=C1C=C(N(N1c2nc(nc(OC)c2)C)C)C    0.700
*23898-95-5 O=C2C=C(N(c1nc(nc(OC)c1)C)N2C)C    0.380
*23906-03-8 O=C1C=C(N(N1c2ncnc(OC)c2)C)C    0.300
*23917-24-0 n1ccc(nc1n2nc(cc2(OC))C)OC    1.010
*23976-66-1 OCCOc1c(cc(cc1Br)Br)Br    3.420
*24151-93-7 O=C(N1CCCCC1C)CSP(OCCC)(OCCC)=S    4.040
*24240-65-1 O=[N+]([O-])c2cnc(N=C1OCCN1CCO)s2    0.430
*24240-67-3 O=[N+]([O-])c2cnc(N=C1N(CCO)CCS1)s2    1.280
*24282-71-1 O=C(NCCC)c1oc2ccccc2(c1)    2.650
*24331-75-7 O=C(OCC)C(=Cc1ccccc1C)C(=O)OCC    3.220
*24448-94-0 O=C1NC(=O)C(C(=O)N1)(C)C   -0.440
*24478-72-6 o2c1ccccc1c3c2c(c(c(c3Cl)Cl)Cl)Cl    6.170
*24493-78-5 O=P(Oc1ccc(cc1Cl)SC)(OCC)OCC    3.050
*24568-14-7 O=C(OCC)c1ccc(cc1)NC(=O)C(F)(F)F    2.250
*24579-73-5 O=C(OCCC)NCCCN(C)C    1.120
*24903-72-8 n1cnc(OCC)cc1    0.970
*25059-80-7 O=C(OCC)CN2C(=O)Sc1cccc(c12)Cl    2.500
*25277-05-8 O=C(N)Nc1ccc(OC)c(c1)Cl    1.370
*25319-90-8 O=C(COc1ccc(cc1C)Cl)SCC    4.050
*25444-83-1 N(C(NC23(CC1CC(CC(C1)C2)C3))=S)C    2.670
*25445-77-6 n1nscc1c2ccccc2    2.420
*25569-80-6 c1ccc(c(c1)c2cccc(c2)Cl)Cl    5.020
*25603-07-0 O=C2C(=Cc1oc(cc1)[N+](=O)[O-])SC(=O)N2C    1.780
*25603-08-1 O=C2C(=Cc1oc(cc1)[N+](=O)[O-])SC(=N)N2CC    1.440
*25603-14-9 O=C2C(=Cc1oc(cc1)[N+](=O)[O-])SC(=O)N2CC=C    2.220
*25612-07-1 N#Cc1ccc(cc1)NS(=O)(=O)c2ccc(N)cc2    1.830
*25680-58-4 n1ccnc(c1OC)CC    1.800
*25694-31-9 O=C2N=C(N(C)C)SC2(=Cc1oc(cc1)[N+](=O)[O-])    1.140
*25784-00-3 O=C(O)c1ccccc1(NCCO)    1.350
*25800-28-6 O=C(OCCC)c1ccccc1Cl    3.450
*25905-77-5 n2nc(NCCN1CCOCC1)c(cc2c3ccccc3)C    2.030
*25953-19-9 O=C(O)C4=C(CSc1nnc(C)s1)CSC3N4(C(=O)C3(NC(=O)Cn2nnnc2))   -0.580
*26019-17-0 c1cc(CN(C)C)sc1    1.670
*26060-30-0 O=[N+]([O-])c1ccc(cc1)C(N)=S    1.750
*26114-14-7 O=C(O)Cc1ccc(cc1)C(C)(C)CC    3.480
*26171-23-3 O=C(c1ccc(cc1)C)c2ccc(n2C)CC(=O)O    2.790
*26455-31-2 O=[N+]([O-])c1ccc(OC(C)C)cc1    2.800
*26512-71-0 O(c1ccc(cc1Cl)SC)P(OCC)(OCC)=S    4.400
*26530-20-1 O=C1C=CSN1CCCCCCCC    2.450
*26537-53-1 O=C(O)CC1=NNOC1(=O)   -1.660
*26541-51-5 O=NN1CCSCC1    0.400
*26556-23-0 O=C(Nc2cccc1nccnc12)C    1.060
*26707-54-0 O=P(Oc1c(cc(cc1Cl)SC)Cl)(OCC)OCC    3.720
*26973-24-0 O=C(O)C4=C(CSc1nncs1)CSC3N4(C(=O)C3(NC(=O)Cn2nnnc2))   -0.670
*27052-09-1 O=C2NC(c1ccccc1)S(=O)(=O)C2    0.800
*27091-58-3 O=C(Nc1ccccc1)c2cc(c(cc2[N+](=O)[O-])[N+](=O)[O-])N3CC3    2.230
*27147-69-9 O=S(=O)(c1ccc(N)cc1)c2ccccc2(N)    1.560
*27153-17-9 O=CNc1cccc(OC)c1    1.250
*27472-85-1 O=C2N=C(NCC)SC2(=Cc1oc(cc1)[N+](=O)[O-])    1.160
*27522-25-4 n1cncc(OCC)c1    0.560
*27564-47-2 O=C2NC(=O)SC2(=Cc1oc(cc1)[N+](=O)[O-])    0.630
*27605-76-1 O=S2(=O)(N=C(OCC=C)c1ccccc12)    1.400
*27772-24-3 n1nc(OC)c(cc1)N(C)C    0.900
*28026-77-9 O=C(Nc1ccc(O)c(c1)CC)C    1.310
*28076-73-5 O(c1ccc(cc1Cl)Cl)c2ccc(cc2Cl)Cl    5.950
*28354-25-8 N#CCNc1ccccc1(OC)    1.300
*28419-69-4 O(c1ccccc1)c2c(cccc2Cl)Cl    4.640
*28610-09-5 O=C(OCCC)CNC(=O)CCCCSc2ncnc1[nH]cnc12    1.370
*28783-31-5 O=[N+]([O-])C=Cc1ccsc1    1.940
*28856-77-1 n1cccc(c1)Sc2ccccc2    3.150
*29027-76-7 O=C(c1ccc(cc1)C)N(N)c2ccccc2    3.000
*29366-71-0 O=[N+]([O-])c2ccccc2(c1nc(nc(n1)N)N)    0.490
*29442-58-8 O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2))[N+](=O)[O-])COC    2.050
*29442-59-9 O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2))Cl)COC    2.860
*29529-66-6 O=C2N(c1cccc(OC)c1)CCN2CCN(C)C    1.760
*29726-60-1 c1ccc2c(c1)CNC(C)C2    1.930
*29736-20-7 O=C(Oc1ccc(cc1)C)CNC(=O)c2ccccc2    2.830
*29973-13-5 O=C(Oc1ccccc1CSCC)NC    2.040
*30508-25-9 n1c(nc(nc1N)c2ccccc2C)N    1.260
*30530-48-4 n1c(nc(nc1N)c2ccccc2Br)N    1.260
*30826-88-1 C1(N(CCC)CCCN1CCC)=S    2.830
*30961-36-5 O=S(=O)(Nc1ncc(cc1)Cl)c2ccc(N)cc2    1.820
*30961-43-4 O=S(=O)(Nc1ncc(cc1Br)C)c2ccc(N)cc2    1.790
*31052-79-6 O=[N+]([O-])c2cnc(N=C1N(C)CCN1C)s2    0.950
*31363-85-6 O=S2(=O)(NC(=Nc1c(cccc12)Cl)C)    0.720
*31363-88-9 O=S2(=O)(NC(=Nc1cc(ccc12)C)C)    0.740
*31363-89-0 O=S2(=O)(NC(=Nc1ccc(cc12)C)C)    0.810
*31365-75-0 O=[N+]([O-])c1cc2N=C(NS(=O)(=O)c2(cc1Cl))C    1.420
*31365-88-5 O=S2(=O)(NC(=Nc1c(cccc12)C)C)    0.520
*31401-45-3 n1cnc(cc1)N(C)C    0.580
*31401-46-4 n1cncc(c1)N(C)C    0.460
*31458-33-0 n1cncc(OC)c1    0.070
*31508-00-6 c1cc(c(cc1c2cc(c(cc2Cl)Cl)Cl)Cl)Cl    7.120
*31822-03-4 O=C(NN)c1ccccc1I    0.470
*31828-71-4 O(c1c(cccc1C)C)CC(N)C    2.150
*31876-68-3 O=[N+]([O-])c1ncn(c1(OC))C    0.190
*31991-99-8 O=C2C(=C(N(C(=O)N2(c1ccccc1))C)C)N(CC)CC    2.110
*32092-14-1 O=C(OCC)C1=CN=C2N(C1(=O))C(C)CCC2    0.620
*32094-40-9 O=C(NS(=O)(=O)N)Cc1ccccc1    0.310
*32111-28-7 n1ccnc(c1)NC    0.560
*32150-38-2 O=C2C(=C(N(c1ccccc1)C(=O)N2C)C)N(CC)CC    2.190
*32150-60-0 O=C1C(=C(N(C(=O)N1CC=C)c2ccccc2)C)N(C)C    1.980
*32150-73-5 O=C2C(=C(N(C(=O)N2(c1ccccc1))C)C)N3CCCC3    2.260
*32156-26-6 O(c1cc(c(OC)cc1CC(N)C)Br)C    2.580
*32324-41-7 O=C(NCC)NS(=O)(=O)c1ccccc1    0.900
*32324-42-8 O=C(NS(=O)(=O)c1ccccc1)N(C)C    0.280
*32551-33-0 O=C(N)c1nonc1C    0.310
*32598-11-1 c1cc(c(cc1c2cc(ccc2Cl)Cl)Cl)Cl    6.230
*32598-13-3 c1cc(c(cc1c2ccc(c(c2)Cl)Cl)Cl)Cl    6.630
*32620-72-7 O=C(OCN1C(=O)CCC1(=O))c2ccccc2(OC(=O)C)    0.500
*32669-06-0 O(CCCl)C(c1ccccc1)c2ccccc2    4.380
*32692-19-6 O=[N+]([O-])c1ccc2NCCc2(c1)    2.070
*32723-67-4 O=Cc1ccc(OC)c(c1)C    2.230
*32737-14-7 n1ccnc(c1OCC)C    1.820
*32745-69-0 O=C(Nc1ccc(cc1)C(C)(C)C)N(C)C    3.100
*32783-20-3 O(C(=C)C)Cc1ccccc1    2.410
*32830-01-6 O=C1N=C(N)C=CN1C3OC2COC3(C2(O))   -1.640
*32857-62-8 O=C(O)Cc1ccc(cc1)C(F)(F)F    2.450
*32924-66-6 O=C(O)C4=C(CSc1nnnn1C)CSC3N4(C(=O)C3(NC(=O)Cc2cccs2))    0.000
*33146-45-1 c1ccc(cc1)c2c(cccc2Cl)Cl    4.980
*33225-17-1 O=C(N)c1cccc(c1)N(C)C    0.950
*33228-44-3 Nc1ccc(cc1)CCCCC    3.390
*33284-50-3 c1ccc(cc1)c2ccc(cc2Cl)Cl    5.160
*33284-53-6 c1ccc(cc1)c2cc(c(c(c2Cl)Cl)Cl)Cl    6.410
*33332-29-5 n1cc(ncc1N)Cl    0.670
*33376-25-9 O=C1NC(=O)C(C(=O)N1)(CC)CCC    0.660
*33484-38-7 O=C(OC)C1=CN=C2N(C1(=O))C(C)CCC2    0.160
*33607-91-9 O=C(O)C1Oc2ccc(cc2(C(=O)C1))Cl    1.770
*33721-54-9 O=C(Nc1cc(ccc1(OC))[N+](=O)[O-])C    1.600
*33809-77-7 O=C(N)c1ccccc1(NC(=O)C)    0.320
*33873-09-5 Fc1nc(F)cnc1    0.740
*34123-59-6 O=C(Nc1ccc(cc1)C(C)C)N(C)C    2.870
*34197-26-7 O=[N+]([O-])C(C)C(c1ccc(OC)cc1)c2ccc(OC)cc2    3.870
*34213-80-4 OCC2OC(Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C)C(O)C(O)C2(O)    2.730
*34251-46-2 O=C(N(C(C)C)C(C)C)Cc1ccccc1    3.100
*34253-01-5 O=C(OC)c1cncnc1    0.030
*34385-94-9 O=C(O)C2Oc1ccc(cc1C2)Cl    2.110
*34392-61-5 O=S(=O)(Nc1ccc(cc1)N(C)C)c2ccc(N)cc2    1.570
*34392-82-0 O=S(=O)(Nc1cnc(cc1)Cl)c2ccc(N)cc2    2.240
*34622-58-7 O=C(N(CC)CC)SCc1ccccc1Cl    3.430
*34661-75-1 O=C3C=C(NCCCN2CCN(c1ccccc1(OC))CC2)N(C(=O)N3C)C    1.600
*34675-53-1 O=C(OC)n2c(nc1ccccc12)c3ncsc3    2.050
*34883-39-1 c1ccc(cc1)c2cc(ccc2Cl)Cl    5.100
*34883-41-5 c1ccc(cc1)c2cc(cc(c2)Cl)Cl    5.410
*34883-43-7 c1ccc(c(c1)c2ccc(cc2)Cl)Cl    5.090
*34919-98-7 O=C(NC)COc1ccccc1(OCC(O)CNC(C)(C)C)    1.360
*34932-78-0 O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2(F)))I)C    3.140
*34933-71-6 Fc1ccc(cc1)SCCCN3CCC(O)(c2ccc(O)cc2)CC3    4.170
*35065-27-1 c2c(c1cc(c(cc1Cl)Cl)Cl)c(cc(c2Cl)Cl)Cl    7.750
*35065-28-2 c1cc(c(c(c1c2cc(c(cc2Cl)Cl)Cl)Cl)Cl)Cl    7.440
*35207-08-0 O=C(N)NS(=O)(=O)c1ccccc1    0.280
*35367-40-9 O=C(NC(=O)c1c(F)cccc1(F))Nc2ccc(F)cc2    3.200
*35480-26-3 O=C(OCc1cccc(OC)c1)C    2.020
*35580-76-8 O=C(NN)Nc1ccccc1Cl    0.450
*35687-42-4 O=[N+]([O-])c1[nH]c(nc1(OC))C    0.210
*35694-04-3 c2c(c1cc(cc(c1Cl)Cl)Cl)c(c(cc2Cl)Cl)Cl    7.070
*35704-19-9 N#Cc1ccc(cc1)NC(=O)C    1.370
*35763-43-0 O=C(Nc1cccc(c1)[N+](=O)[O-])CN2CCCCC2    2.590
*35975-00-9 O=[N+]([O-])c2ccc1ncccc1c2(N)    1.610
*36070-86-7 O=C(N)c1nc(OC)cnc1    0.130
*36164-42-8 O=C(Nc1ccc2cccnc2(c1))C    1.550
*36330-85-5 O=C(O)CCC(=O)c1ccc(cc1)c2ccccc2    3.200
*36405-75-1 O=C(N1CCCCC1)COc2ccccc2    1.810
*36505-84-7 O=C1N(C(=O)CC2(C1)(CCCC2))CCCCN4CCN(c3ncccn3)CC4    2.630
*36627-56-2 O=C(Nc1cc(cc(c1)C)C)N(C)C    1.900
*36756-79-3 O=C(N(C(C)CC)C(C)CC)SCc1ccccc1    4.400
*36791-04-5 O=C(N)c1ncn(n1)C2OC(CO)C(O)C2(O)   -1.850
*37080-10-7 O=C(C=Cc1ccc(OCC)cc1)C    2.730
*37148-07-5 O=[N+]([O-])c1ccc2N=C(NS(=O)(=O)c2(c1))C    0.650
*37148-09-7 O=C(Nc1cc2N=C(NS(=O)(=O)c2(cc1Cl))C)C    0.530
*37148-13-3 O=S2(=O)(NC(=Nc1c(cc(cc12)Cl)I)C)    1.810
*37148-19-9 O=S2(=O)(NC(=Nc1cc(ccc12)Cl)CCC)    2.040
*37148-20-2 O=S2(=O)(NC(=Nc1cc(ccc12)Cl)C(C)C)    2.000
*37148-22-4 O=S2(=O)(NC(=Nc1ccc(cc12)Cl)C(C)CC)    2.470
*37148-24-6 O=S2(=O)(NC(=Nc1ccc(cc12)Cl)C3CCC3)    2.240
*37157-59-8 O=S2(=O)(NC(=Nc1cc(ccc12)Cl)C=CC)    1.960
*37157-79-2 O=[N+]([O-])c2cc(cc1c2(N=C(NS1(=O)(=O))C))Cl    0.850
*37157-88-3 O=S2(=O)(NC(=Nc1ccccc12)C3CCCCC3)    2.200
*37157-89-4 O=S2(=O)(NC(=Nc1ccccc12)C3=CCCC3)    1.690
*37157-90-7 O=S2(=O)(NC(=Nc1ccccc12)C3CC=CC3)    1.530
*37157-91-8 O=S2(=O)(NC(=Nc1ccccc12)C3CC=CCC3)    2.050
*37157-95-2 O=S2(=O)(NC(=Nc1ccccc12)c3cccs3)    1.680
*37157-96-3 O=S2(=O)(NC(=Nc1ccccc12)c3occc3)    1.060
*37163-41-0 O=C(Nc1ccc(F)cc1)CN2CCCCC2    2.700
*37680-66-3 c1ccc(c(c1)c2ccc(cc2Cl)Cl)Cl    5.760
*37813-54-0 n1nc(ccc1SC)SC    1.850
*37865-86-4 O(c1ccc2cc[nH]c2(c1))CC    2.530
*37895-44-6 O=C(N)c1no[n+]([O-])c1C    0.030
*37989-04-1 n1ccccc1c2nc(N)c3ccccc3(c2)    2.740
*38103-61-6 O=C(N)c2ccc(OCCNCC(O)COc1ccccc1C)cc2    2.220
*38196-44-0 O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CCCC)(C(=O)COC(=O)CCCC)C4(C)(CC(O)C23(F)))(C)    5.260
*38212-33-8 c1cc(ccc1N2CCNCC2)Cl    2.010
*38367-20-3 O=C(Nc1cccc(c1)C)CN2CCCCC2    2.970
*38367-23-6 O=C(Nc1ccccc1Cl)CN2CCCCC2    2.760
*38379-99-6 c1cc(c(cc1Cl)c2c(ccc(c2Cl)Cl)Cl)Cl    6.550
*38380-01-7 c1cc(cc(c1c2cc(c(cc2Cl)Cl)Cl)Cl)Cl    7.210
*38380-02-8 c1cc(c(c(c1c2cc(ccc2Cl)Cl)Cl)Cl)Cl    6.850
*38380-05-1 c1cc(c(c(c1c2c(ccc(c2Cl)Cl)Cl)Cl)Cl)Cl    7.040
*38380-08-4 c1cc(c(cc1c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl    7.600
*38444-77-8 c2cc(c(c1ccc(cc1)Cl)c(c2)Cl)Cl    5.750
*38444-81-4 c1cc(cc(c1)Cl)c2cc(ccc2Cl)Cl    5.760
*38444-85-8 c2cc(c1ccc(cc1)Cl)c(c(c2)Cl)Cl    5.420
*38444-87-0 c1cc(cc(c1)Cl)c2cc(cc(c2)Cl)Cl    5.810
*38444-93-8 c2cc(c1cccc(c1Cl)Cl)c(c(c2)Cl)Cl    6.180
*38604-70-5 O=C(N(Nc1ccccc1)C)C    1.310
*38696-40-1 C1=C(C(=S)SS1)CCC    3.180
*38727-55-8 O=C(OCC)CN(C(=O)CCl)c1c(cccc1CC)CC    3.600
*38941-33-2 N(=C1NCCN1)c2c(cc(cc2Br)Br)Br    2.750
*39000-84-5 O=C(Nc1c(cccc1C)C)C(N(CC)CC)C    2.730
*39001-02-0 o1c3c(c2c1c(c(c(c2Cl)Cl)Cl)Cl)c(c(c(c3Cl)Cl)Cl)Cl    8.600
*39080-46-1 O=C1C(=CN=C2C=CC=C(N12)C)C    1.260
*39080-62-1 O=C(OCC)C1=CNC2N(C1(=O))CCCC2    0.570
*39115-96-3 O=C(NN)c1cccc(c1)Br    1.260
*39170-83-7 OC1C(C)CCCC1(C)    2.280
*39190-67-5 N(CCC)C(C)CC    1.910
*39512-51-1 c1ccc(c(c1)N2CCNCC2)C    2.140
*39635-34-2 c1c(cc(c(c1Cl)Cl)Cl)c2cc(cc(c2Cl)Cl)Cl    7.470
*39807-15-3 O=C1OC(=NN1c2cc(OCC#C)c(cc2Cl)Cl)C(C)(C)C    3.950
*39824-11-8 OCC1OC(OCCCCCC)C(O)C(O)C1(O)    0.160
*39835-28-4 O=[N+]([O-])c1ccc2oncc2(c1)    1.460
*39856-64-9 O=C(OCc1coc(c1)Cc2ccccc2)C    3.240
*39880-77-8 O=C(NC)c1cccs1    0.840
*39928-74-0 O=Cc1cnc(n1C)[N+](=O)[O-]   -0.100
*39965-42-9 O=C(C=Cc1oc(cc1)[N+](=O)[O-])NC(C)(C)C    2.330
*40027-73-4 O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])CI    1.030
*40186-72-9 c2c(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl    9.140
*40228-90-8 O=C(O)CCCCCCc1ccccc1    3.630
*40256-75-5 O=C(NCCN(CC)CC)c1cc(ccc1(OC))Cl    3.110
*40262-54-2 O=C(OC)c1nc(cnc1)N(C)C    0.900
*40262-55-3 O=C(N)c1nc(cnc1)N(C)C    0.380
*40297-47-0 O=C(Nc1cccc(OC)c1)CN2CCCCC2    2.710
*40361-79-3 O=C(OC)c1cnc(n1C)[N+](=O)[O-]    0.510
*40673-68-5 O=C(c1ccccc1(NCCO))C    1.590
*40725-71-1 O=P(N(C)C)(N(C)C)N1CCCC1    0.820
*40861-87-8 O=C1C=C(OC(=C1(O))CCC)C    1.400
*40929-50-8 O=C(OCC)c1cncnc1    0.520
*41107-56-6 O=C1C=CN(C(=O)N1)C2OC(CO)C(F)C2   -0.490
*41110-39-8 O=C(OCC)c1nc(cnc1)C    0.510
*41198-08-7 O=P(Oc1ccc(cc1Cl)Br)(OCC)SCCC    4.680
*41229-10-1 n1cnc(c2ccccc12)N3CCCCC3    2.920
*41394-05-2 O=C1C(=NN=C(N1(N))C)c2ccccc2    0.830
*41410-39-3 N#CNC(=N)Nc1ccccc1    1.050
*41451-75-6 O=C(OC3C(=O)OC2CC1C(=C(O)C(=O)CC1(C)C5C(O)C(O)C4(OCC25(C34))(C(=O)OC))C)C=C(C)C(C)C    1.660
*41464-39-5 c2cc(c1cc(ccc1Cl)Cl)c(c(c2)Cl)Cl    5.810
*41464-40-8 c1cc(cc(c1c2cc(ccc2Cl)Cl)Cl)Cl    6.220
*41532-81-4 O(c1ccccc1)CCOC    1.730
*41536-80-5 n1cc(nc(N)c1)N   -0.450
*42116-76-7 O=[N+]([O-])c1cnc(n1CCNC(OC)=S)C    1.150
*42144-78-5 n1c(OCC)cccc1Cl    2.550
*42270-37-1 n1ccsc1N2CCNCC2    0.610
*42322-29-2 O=C(Oc1cccc2cccnc12)OCC    1.730
*42548-73-2 O=C(N)c1ccc(N=NN(O)C)cc1   -0.220
*42835-25-6 O=C(O)C3=CN2c1c(cc(F)cc1CCC2C)C3(=O)    1.600
*42874-01-1 O=[N+]([O-])c2ccc(Oc1ccc(cc1Cl)C(F)(F)F)cc2    4.540
*43121-43-3 O=C(C(Oc1ccc(cc1)Cl)n2ncnc2)C(C)(C)C    2.770
*49558-02-3 O=[N+]([O-])c1no[n+]([O-])c1C    0.780
*49739-37-9 [O-][n+]1onc(c1Sc2ccccc2)C    2.740
*49739-38-0 O=S(=O)(c1no[n+]([O-])c1C)CC    0.650
*50267-50-0 O=C2C1=C(CCCC1)SS2    2.400
*50397-65-4 O=C(OC)CS(=O)(=O)c1ccc(cc1)Br    1.520
*50405-18-0 O=C(NN)NCCCCC   -0.040
*50463-48-4 O=C(O)CCc2ccc(OCc1ccccc1)cc2    3.310
*50471-44-8 O=C1OC(C=C)(C(=O)N1c2cc(cc(c2)Cl)Cl)C    3.100
*50585-76-7 O=S(=O)(Nc1ccc(cc1)Cl)CF    2.250
*50594-66-6 O=C(O)c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-]    3.700
*50594-67-7 O=C(OC)c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-]    4.260
*50615-69-5 OCC1OC(C(O)C(O)C1(O))SCCCCCCC    1.500
*50618-71-8 O=C(NS(=O)(=O)c1ccccc1)N(CC)CC    0.990
*50785-22-3 O=C(OCC(=O)N)c1ccccc1(OC(=O)C)    0.220
*50789-46-3 O=C(NC)c2cccc(Oc1ccccc1)c2    2.860
*50868-74-1 O=C(Nc1cccc(OC)c1C)C    1.130
*50916-21-7 O=C(Nc1ccc(OC)cc1)Cc2ccccc2    2.490
*51008-91-4 O=C1OCC(=C1)C4C(OC(=O)C)CC5(O)(C6CCC3CC(OC2OC(C)C(OC(=O)C)C(OC)C2)CCC3(C)C6(CCC45(C)))    2.950
*51022-76-5 O=[N+]([O-])c1cnc(n1CCNC(OC)=S)CC    1.460
*51074-95-4 O=C(Oc1ccc(cc1)C(=O)N)C    0.270
*51152-91-1 OC5(CCN4CC3c1ccccc1CCc2cccc(c23)C4C5)C(C)(C)C    5.200
*51234-28-7 O=C(O)C(c1ccc2oc(nc2(c1))c3ccc(cc3)Cl)C    3.230
*51246-79-8 O=C1N=C(N)C=CN1C2OC(CO)C(F)C2   -0.890
*51308-54-4 n2cccc(N=C(SCc1ccc(cc1)C(C)(C)C)SCCCC)c2    7.000
*51460-47-0 O=C(N)c1ccsc1    0.500
*51527-19-6 O=C(O)Cc2c(c1cc(ccc1s2)Cl)C    3.920
*51581-35-2 O=C(Oc1cccnc1Br)N(C)C    1.140
*51630-58-1 N#CC(OC(=O)C(c1ccc(cc1)Cl)C(C)C)c3cccc(Oc2ccccc2)c3    6.200
*51688-73-4 O=C(Nc1ccc(cc1CC)Br)C    2.270
*51707-42-7 O=C(NN)Nc1cccc(c1)Cl    0.830
*51753-57-2 O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2Cl))Br    3.300
*51892-26-3 O(c1ccccc1)c2ccc(cc2Cl)Cl    4.930
*51939-71-0 O=C(O)C2Oc1ccccc1CC2    1.900
*51963-47-4 O=C(NNC(C)C)C(Oc1ccccc1)C    1.390
*51963-49-6 O=C(NNC(C)C)COc1cccc(c1)Cl    1.910
*51963-50-9 O=C(NNC(C)C)C(Oc1ccccc1Cl)C    2.000
*51963-52-1 O=C(NNC(C)C)C(Oc1ccc(cc1)Cl)C    2.140
*52019-60-0 O=C(NNC(C)C)COc1ccccc1    1.240
*52067-49-9 O=P(OC)(NCCCC)SC    0.940
*52093-78-4 O=C(NNCc1ccccc1)COc2ccccc2    2.160
*52093-79-5 O=C(NNC(c1ccccc1)C)COc2ccccc2    2.460
*52102-43-9 O=C(NC)NS(=O)(=O)c1ccc(cc1)Cl    1.160
*52189-36-3 O=C(OC)c1cccc(c1)NC(=O)C    1.460
*52190-69-9 O=C(NNC(N)=S)c1ccc2OCOc2(c1)    0.210
*52315-07-8 N#CC(OC(=O)C1C(C=C(Cl)Cl)C1(C)(C))c3cccc(Oc2ccccc2)c3    6.040
*52322-80-2 O(c1ccccc1)c2cc(c(cc2Cl)Cl)Cl    5.440
*52468-60-7 Fc1ccc(cc1)C(c2ccc(F)cc2)N4CCN(CC=Cc3ccccc3)CC4    5.780
*52661-48-0 O=C2C=C(c1oc(cc1)[N+](=O)[O-])SC(=O)N2    0.550
*52661-53-7 O=C1N=C(NC)SC(=C1)c2oc(cc2)[N+](=O)[O-]    0.860
*52661-54-8 O=C1N=C(NC(=O)C)SC(=C1)c2oc(cc2)[N+](=O)[O-]    1.010
*52662-76-7 O=C(NN)NC1CCCCC1    0.150
*52663-61-3 c1cc(c(cc1Cl)c2cc(cc(c2Cl)Cl)Cl)Cl    6.790
*52663-72-6 c1c(cc(c(c1Cl)Cl)Cl)c2cc(c(cc2Cl)Cl)Cl    7.500
*52704-70-8 c2cc(c1c(c(cc(c1Cl)Cl)Cl)Cl)c(c(c2)Cl)Cl    7.250
*52712-05-7 c1cc(c(cc1Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl    7.930
*52744-13-5 c2cc(c(c(c1cc(cc(c1Cl)Cl)Cl)c2Cl)Cl)Cl    7.150
*52806-53-8 O=C(Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])C(O)(C)C    2.700
*52945-16-1 O=C(OCN1C(=O)C2=C(C1(=O))CCCC2)C    1.150
*53112-28-0 n1c(nc(cc1C)C)Nc2ccccc2    2.840
*53207-61-7 O=C1NCCN1c2oc(cc2)[N+](=O)[O-]    0.250
*53207-63-9 O=[N+]([O-])c1oc(cc1)N2C(=NCC2)SC    1.190
*53309-89-0 NC(Cc1ccccc1)CC    2.280
*53393-06-9 N(C(NCCCCCC)=S)C    2.310
*53446-96-1 OC2c1ccccc1C3CCCCC3(C2(O))    2.270
*53780-34-0 O=C(Nc1cc(NS(=O)(=O)C(F)(F)F)c(cc1C)C)C    2.020
*53808-87-0 n1cc(c(nc1N)N)Cc2cc(OC)c(OCCOC)c(OC)c2    0.560
*53916-74-8 O=[N+]([O-])C=Cc1cocc1    1.410
*53943-59-2 O=C1NC(=O)C(C(=O)N1)(C)C(C)C    0.540
*54143-55-4 O=C(NCC1NCCCC1)c2cc(OCC(F)(F)F)ccc2(OCC(F)(F)F)    3.780
*54266-28-3 O=C(Oc1ccc(cc1)C(=O)CC)NC    1.550
*54340-62-4 OC(c2oc1c(cccc1CC)c2)CNC(C)(C)C    3.500
*54394-78-4 O=C(Nc1ccccc1)C(C)CC    2.560
*54922-60-0 O=C(NNC(C)C)COc1cccc(c1)C    1.770
*54922-61-1 O=C(NNC(C)C)COc1ccc(cc1)C    1.810
*55179-31-2 OC(C(Oc1ccc(cc1)c2ccccc2)n3ncnc3)C(C)(C)C    4.160
*55205-89-5 O=C(Nc1cc(c(O)c(c1)CC)CC)C    1.870
*55215-18-4 c2cc(c1cc(c(c(c1Cl)Cl)Cl)Cl)c(c(c2)Cl)Cl    7.320
*55390-39-1 O=C(O)C4N3C(=O)C(NC(=O)c1c(noc1C)c2ccccc2Cl)C3S(=O)C4(C)(C)    2.000
*55556-86-0 O=NN1C(C)CCC1C    0.860
*55556-91-7 O=NN1CCC(=O)CC1   -0.470
*55556-93-9 O=NN1CCC(O)CC1   -0.890
*55565-48-5 O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)O)C(C)C)Cc2ccccc2    2.880
*55687-48-4 O=C(OCC)c1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N    1.250
*55687-53-1 O=C(OCC)c1c(OCC)cc(cc1(OCC))Cc2cnc(nc2(N))N    2.280
*55687-56-4 OC(c1c(OCC)cc(cc1(OCC))Cc2cnc(nc2(N))N)(C)C    2.460
*55687-73-5 O=C(c1c(OCC)cc(cc1(OCC))Cc2cnc(nc2(N))N)C    2.040
*55687-76-8 O=C(c1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N)C    1.100
*55687-86-0 n1cc(c(nc1N)N)Cc2cc(OC)c(c(OC)c2)COC    1.190
*55687-91-7 OC(c1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N)(C)C    1.490
*55702-45-9 c1ccc(cc1)c2c(ccc(c2Cl)Cl)Cl    5.670
*55702-46-0 c1ccc(cc1)c2ccc(c(c2Cl)Cl)Cl    5.860
*55720-40-6 c1cc(cc2cc(c(cc12)Cl)Cl)Cl    5.120
*55720-43-9 c2cc(c1cc(c(cc1c2Cl)Cl)Cl)Cl    5.810
*55814-41-0 O=C(Nc1cccc(OC(C)C)c1)c2ccccc2C    3.660
*55836-71-0 O=C(N)c1ccc(OCC)cc1    1.300
*55863-26-8 O=C(O)Cc1ccc3c(c1)C(=O)c2ccccc2CS3    2.970
*55905-53-8 O=C(NC2CCN(Cc1ccccc1)CC2)c3cc(c(N)cc3(OC))Cl    3.580
*56058-99-2 O=C1NC=C(F)C(=O)N1C(=O)CC    0.190
*56066-43-4 n1cc(c(nc1N)N)Cc2cc(OCC)c(N)c(OCC)c2    1.690
*56066-63-8 n1cc(c(nc1N)N)Cc2cc(OC)c(c(OC)c2)N(C)C    1.510
*56108-12-4 O=C(N)c1ccc(cc1)C(C)(C)C    2.510
*56183-32-5 n1cc(c(nc1N)N)Cc2ccc(OC)c(c2)Br    1.880
*56343-48-7 n1cc(nc(c1)C)N(C)C    1.570
*56423-63-3 n1ccnc(c1)Br    0.930
*56488-61-0 O=C(NCC2N(Cc1ccc(F)cc1)CCC2)c3cc(ccc3(OC))S(=O)(=O)N    2.460
*56518-45-7 n1cc(c(nc1N)N)Cc2cc(OC)c(c(OC)c2)Cl    1.870
*56846-39-0 O=[N+]([O-])c3ccc(OC2OC(CO)C(OC1OC(CO)C(O)C(O)C1(O))C(O)C2(O))cc3   -1.390
*56875-83-3 O=C(OCCCN3C(=O)C(N=C(c1ccccc1)c2cc(ccc23)Cl)OC(=O)C)C    3.080
*56933-60-9 O=C1C=CC3(C(=C1)CCC2C4CC(C)C(O)(C(=O)COC(=O)CCC)C4(C)(CC(O)C23(F)))(C)    3.550
*57057-83-7 Oc1cc(c(c(c1(OC))Cl)Cl)Cl    3.770
*57078-99-6 O=C(O)CCCCN1C(=O)C=CC1(=O)    0.600
*57079-05-7 O=C(OCC)CCN1C(=O)C=CC1(=O)    0.410
*57079-07-9 O=C(OCC)CCCCCN1C(=O)C=CC1(=O)    1.500
*57117-38-1 o2c1c(cc(cc1Cl)Cl)c3ccc(c(c23)Cl)Cl    6.250
*57117-41-6 o2c1cc(c(cc1c3c2cc(c(c3Cl)Cl)Cl)Cl)Cl    6.790
*57117-42-7 o2c1cc(c(c(c1c3ccc(c(c23)Cl)Cl)Cl)Cl)Cl    6.260
*57334-34-6 Oc2ccc(O)c1c2(nccc1C)    1.590
*57334-35-7 Oc1ccc(OC)c2cccnc12    2.060
*57334-36-8 Oc2cccc1c2(nccc1Cl)    2.670
*57369-32-1 O=C3N2c1c(cccc1CC2)CC3    1.570
*57381-38-1 n1c(nc(nc1N)c2cc(ccc2Br)Cl)N    1.850
*57381-45-0 n1c(nc(nc1N)c2cc(ccc2Cl)Br)N    2.040
*57381-46-1 n1c(nc(nc1N)c2ccc(cc2Cl)Cl)N    2.070
*57381-57-4 Fc1ccc(c(c1)c2nc(nc(n2)N)N)Cl    1.380
*57381-60-9 Fc2ccc(cc2(c1nc(nc(n1)N)N))Br    1.940
*57453-98-2 O=C(OCCOC)c1ccccc1    1.780
*57531-37-0 O=[N+]([O-])c1nc([nH]c1)Cl    0.660
*57541-72-7 O=NN1CCC(C(C1)Cl)Cl    1.040
*57553-97-6 O=S(=O)(c1cc(OC)c(OC)c(OC)c1)CCO    0.180
*57554-04-8 O=S(=O)(c1cc(OC)c(OC)c(OC)c1)CCN2CCCCC2    1.600
*57683-71-3 O=C(OC)c1ccccc1S(=O)(=O)N    0.010
*57913-60-7 O=C2C(c1ccccc1)=C(C)SS2    2.930
*57930-20-8 O=C(NN)NC(C)C   -1.300
*58333-58-7 O=C(OCOC(=O)C(C)(C)C)C4=C(CSc1nnnn1C)CSC3N4(C(=O)C3(NC(=O)C(O)c2ccccc2))    0.850
*58414-52-1 O=C(OC)Cc1ccsc1    1.460
*58480-99-2 O=C(NN)c1ccnc(c1)CC(C)C    1.020
*58481-00-8 O=C(NN)c1ccnc(OCC)c1    0.480
*58481-06-4 O=C(NN)c1ccnc(c1)c2ccccc2    1.360
*58484-09-6 O=NN(C(=O)NC1C(O)CCCC1(O))CCCl    0.160
*58654-67-4 O=C(C)CCC(C)CCC    2.920
*58742-04-4 NC3CC2c1ccccc1C3(C2)    2.050
*58742-05-5 c1ccc2c(c1)C3CC(NC)C2C3    2.400
*58802-15-6 o2c1cc(c(cc1c3c2c(cc(c3Cl)Cl)Cl)Cl)Cl    6.260
*58814-67-8 n1ccccc1c2ncc3ccccc3(c2)    3.050
*58863-14-2 c1c2c(c(c(c1Cl)Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl    8.200
*58889-08-0 N#CCCOc1cccc2ccccc12    2.800
*58910-96-6 c2c(cc(c3[nH]c1c(cc(cc1Cl)Cl)c23)Cl)Cl    5.750
*58942-03-3 O=C1NC(=O)C(N1)CC(C)C    0.350
*59039-21-3 O(c1ccc(cc1)Cl)c2ccc(cc2Cl)Cl    5.530
*59094-49-4 O=C1C=C(C(=O)c2ccccc12)SCCCC    3.290
*59291-64-4 c1cc(c(c(c1c2c(cc(cc2Cl)Cl)Cl)Cl)Cl)Cl    7.250
*59291-65-5 c1c(cc(c(c1Cl)Cl)Cl)c2c(cc(cc2Cl)Cl)Cl    7.250
*59338-93-1 O=C(NCC1N(CC=C)CCC1)c2cc3[nH]nnc3(cc2(OC))    1.790
*59708-20-2 O=C(N)c1ccc(N=NN(C)CCO)cc1    0.260
*59729-31-6 O=C(N(c1ccc(cc1)Cl)C2CCN(CC2)C(C)C)Cc3ccccc3    4.850
*59772-33-7 Fc2cccc(F)c2(N=C1NCCN1)    0.930
*59777-65-0 O=C(NCCCCCC)c1ccc(cc1)S(=O)(=O)N    2.050
*59863-59-1 O=NN1CC(C(C1)Cl)Cl    0.830
*59886-46-3 O=C1C(=C(C(=O)C(=C1N2CC2)N(C)CCO)N3CC3)N(C)CCO   -0.370
*59897-94-8 O=C(OC)C1C(C=C(Cl)Cl)C1(C)(C)    3.630
*59906-38-6 O=C(NC)c1ccsc1    0.810
*60010-81-3 O=C(Nc1n[nH]c(n1)NC(=O)C)C   -1.020
*60035-83-8 O=C(Nc1ccccc1)NC(CO)(CO)CO    0.430
*60047-17-8 OC(C)(C)C1OC(C=C)(C)CC1    2.430
*60123-64-0 O(c1ccc(cc1Cl)Cl)c2cc(c(cc2Cl)Cl)Cl    6.380
*60141-99-3 [N-]=[N+]=CC(=O)NCC(=O)NCCCCCC    1.510
*60145-79-1 O=C(OCC)CN(C(=O)CCl)c1ccccc1(OC(C)C)    2.750
*60207-31-0 n1cnn(c1)CC2(OCCO2)c3ccc(cc3Cl)Cl    2.320
*60207-90-1 n1cnn(c1)CC2(OCC(O2)CCC)c3ccc(cc3Cl)Cl    3.720
*60211-57-6 OCc1cc(cc(c1)Cl)Cl    2.900
*60406-79-3 OCC3OC(Oc2ccc(c(OC1OC(CO)C(O)C(O)C1(O))c2I)I)C(O)C(O)C3(O)   -1.310
*60577-35-7 O=N1C(OCC1(C)(C))(C)C    0.480
*60708-27-2 O=C(NCCC)c1occc1    1.100
*60736-83-6 O=C(O)Cc2ccc(OCc1ccccc1)c(c2)Cl    3.430
*60834-63-1 OCc1ccc(cc1)CCCC    3.000
*60903-21-1 O=C(OCOC)C4N3C(=O)C(N1C(=O)C(NC1(C)C)c2ccc(O)cc2)C3SC4(C)(C)    0.300
*60908-29-4 O=C1NC(=O)N(C=C1(F))C(=O)N(C)C   -0.370
*61251-77-2 O=C1NC=C(F)C(=O)N1C(=O)c2ccccc2    0.800
*61328-45-8 O(c1ccc(cc1)Cl)c2cc(c(cc2Cl)Cl)Cl    5.990
*61345-66-2 O=C(N)NC(=O)C(C(C)C)Cl    1.000
*61367-72-4 O(c1cc(cc(OC)c1Br)CCN)C    2.030
*61421-89-4 O=C(N)NC(=O)C(CC)(CC)Cl    1.400
*61432-55-1 O=C(N1CCCCC1)SC(c2ccccc2)(C)C    4.020
*61453-53-0 n2c(nc(c1ccccc1)c3ccccc23)C    3.100
*61544-22-7 n1cc(c(nc1N)N)Cc2cc(c(OC)c(c2)N(C)C)N(C)C    2.050
*61573-39-5 n1cc(c(nc1N)N)Cc2cc(cc(c2)N(C)C)N(C)C    1.600
*61573-40-8 n1cc(c(nc1N)N)Cc2cc(NC)c(OC)c(c2)N(C)C    1.560
*61638-07-1 O(c1cc(c(OC)cc1CC(N)C)SC)C    2.170
*61706-06-7 O=C(c1ccccc1)c2ccc(cc2)NC(=O)N(C)C    2.590
*62100-41-8 O=C(Nc1ccc(cc1)Cl)C(O)(C)C    2.000
*62100-83-8 O=C1c2ccc(NC(=O)C)c(c2(OC(=C1C)C))[N+](=O)[O-]    1.610
*62251-73-4 O=C(NNC(C)C)COc1ccccc1C    1.830
*62251-75-6 O=C(NNC(C)C)COc1cccc(OC)c1    1.330
*62433-26-5 O=C(c1ccc(cc1)Cl)c2cc(F)ccc2(O)    4.050
*62484-16-6 O=C1NC(=O)c2cc(ccc2(N1))C    0.550
*62567-44-6 n1nc(OCC)ccc1    0.630
*62774-57-6 O=C(NN)Nc1ccc(cc1)C    0.690
*62774-58-7 O=C(NN)Nc1ccccc1(OC)   -0.150
*62937-22-8 O=CNc2cccc1cccnc12    1.800
*62973-76-6 O=[N+]([O-])c2cnc(C=Cc1nc(ncc1)N)n2C    0.850
*63253-20-3 O=C(OC(c1ccc(OC)cc1)C(Cl)(Cl)Cl)C    3.720
*63346-71-4 N(=C1NCCN1)c2cc(c(OC)cc2(OC))Cl    1.380
*63346-74-7 N2=C(Nc1c(cccc1C(C)C)C(C)C)NCC2    3.040
*63646-55-9 O(c1ccc(cc1)Cl)c2c(c(cc(c2Cl)Cl)Cl)Cl    6.410
*63659-18-7 OC(COc1ccc(cc1)CCOCC2CC2)CNC(C)C    2.810
*63951-01-9 NC(Cc1ccccc1)CCC    2.790
*64002-57-9 O=C1OC(c2ccccc12)C(C)C    2.100
*64118-84-9 O=C(O)Cc2ccccc2(Nc1c(cc(O)cc1Cl)Cl)    3.700
*64230-41-7 O=C(N)c1cccn1C    0.450
*64560-17-4 o2c1cc(cc(c1c3c2cc(cc3Cl)Cl)Cl)Cl    6.340
*64638-08-0 O(c1cc(c(OC)cc1CCC)CC(N)C)C    3.370
*64649-63-4 O=C(OCC(=O)N(CC)CC)c1ccccc1    2.060
*64663-59-8 O=C(NC)c1oc2ccccc2(c1)    1.850
*64673-04-7 O=Cc1ccc(OCCO)c(OC)c1    0.580
*64693-23-8 O=C1C=CC(=NBr)C=C1    1.120
*64778-79-6 O(c1cc(cc(OC)c1Br)CC(N)C)C    2.440
*64835-48-9 O=C(Nc1cc(c(c(c1)C)Br)C)C    3.280
*64889-77-6 O=C1NC(=O)C(C(=O)N1C)(CC=C)CC(=C)Br    1.780
*65016-34-4 O=C(NCCN(CC)CC)c1ccccc1(OC)    1.980
*65052-50-8 O=S(=O)(c1cccc(c1)c2nc(nc(n2)N)N)C    0.290
*65225-88-9 O=C(Nc1nonc1C)C    0.170
*65247-10-1 O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2Br))Br    3.300
*65247-11-2 O=C1Nc3ccc(cc3(C(=NC1)c2cccc(c2)Br))Br    3.880
*65247-14-5 O=C1Nc3ccc(cc3(C(=NC1)c2ccc(cc2)Cl))Br    3.780
*65261-13-4 O=C(c2cccc(Oc1ccccc1)c2)N(C)C    2.570
*65262-21-7 O=C(NC)c2cccc(Oc1cc(ccc1C)C)c2    3.760
*65277-42-1 O=C(N5CCN(c4ccc(OCC1OC(OC1)(c2ccc(cc2Cl)Cl)Cn3cncc3)cc4)CC5)C    4.350
*65283-97-8 n1nc(oc1N)C(C)C    0.200
*65490-84-8 O(c1ccc(cc1)C2=C(C(=S)SS2)C)C    4.100
*65514-04-7 [O-][n+]1onc(c1Cl)C    0.900
*65570-20-9 O(c1ccccc1(NCCCC))C    2.850
*65936-23-4 N(=C1NCCN1)c2c(cc(cc2C)Br)C    2.800
*65980-97-4 O=C(OC3(C(=O)CO)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CC    2.700
*66063-05-6 O=C(Nc1ccccc1)N(Cc2ccc(cc2)Cl)C3CCCC3    4.820
*66203-00-7 O=C(Nc2c(OC)c3ccoc3(c(OC)c2(OCCN1CCCC1)))NC    1.380
*66308-26-7 O=C(OC)NC2=NCC(c1ccccc1(F))N2C    1.530
*66308-27-8 O=C(OC)NC2=NCC(c1ccccc1Cl)N2C    2.080
*66432-08-4 O=CNC=Cc1ccc(OC(=O)C)cc1    1.320
*66480-64-6 n1nn(c2ccccc12)C3CCCC3    2.610
*66516-96-9 N#Cc1ccc(C=CNC=O)cc1    1.620
*66542-37-8 O=C(OCN1C=C(F)C(=O)NC1(=O))CCC    0.470
*66843-01-4 O=C1NC(=O)C(C(=O)N1)(C)CC=C(C)C    1.170
*66974-92-3 N#CNC(=O)c1ccccc1(N=NN(C)C)    0.800
*66999-97-1 O=C(Oc1ccccc1)N2C=C(F)C(=O)NC2(=O)    0.640
*67027-56-9 O=C1Nc3ccc(cc3(C(=NC1C)c2ccccc2Cl))[N+](=O)[O-]    2.720
*67227-56-9 Oc1ccc(cc1)C3c2cc(O)c(O)c(c2CCNC3)Cl    2.390
*67309-38-0 NC(Cc1ccccc1)CC(C)C    3.290
*67363-72-8 O=[N+]([O-])c1oc(cc1)C=CBr    2.450
*67410-39-3 N#CC(=NOP(=O)(OCC)N)c1ccccc1    0.720
*67460-68-8 O=[N+]([O-])c1cc(OC)c(cc1(OC))CC(N)C    1.740
*67481-22-5 o2c1c(cc(cc1Cl)Cl)c3cc(c(c(c23)Cl)Cl)Cl    6.590
*67564-91-4 O1C(C)CN(CC1C)CC(C)Cc2ccc(cc2)C(C)(C)C    4.930
*67747-09-5 O=C(n1cncc1)N(CCOc2c(cc(cc2Cl)Cl)Cl)CCC    4.100
*67856-65-9 O=NN(CCOC)CCOC   -0.380
*67888-96-4 c1cc(c(cc1Br)c2cc(c(cc2Br)Br)Br)Br    7.100
*68019-78-3 O=[N+]([O-])c1[nH]cnc1(OC)    0.130
*68359-37-5 N#CC(OC(=O)C1C(C=C(Cl)Cl)C1(C)(C))c3ccc(F)c(Oc2ccccc2)c3    5.950
*68659-48-3 O=C(OCC(=O)NC(=O)C)c1ccccc1    1.240
*68902-57-8 n1cc(c(nc1N)N)Cc2cc(OC)c(c(OC)c2)SC    1.540
*69163-87-7 N(OC)=CCCc1ccccc1    2.140
*69194-89-4 O=C(NN)Nc1ccc(cc1)Cl    0.870
*69218-47-9 O=C(OCC)CCn2nnc1ccccc12    1.600
*69335-91-7 O=C(O)C(Oc2ccc(Oc1ncc(cc1)C(F)(F)F)cc2)C    3.180
*69519-61-5 O=C1NC(=O)C(C(=O)N1C)(CC(=C)Br)C(C)CC    2.430
*69530-81-0 n1cc(c(nc1N)N)Cc2cc(OC)c(c(OCC)c2)C(=C)C    2.650
*69741-91-9 n1nc(oc1N)C(C)CC    0.620
*69741-92-0 n1nc(oc1N)C(C)(C)C    0.480
*69808-72-6 O=C(NCC)c1cc2ccccc2([nH]1)    2.320
*69945-51-3 n1cc(c(nc1N)N)Cc2ccc(cc2)N(C)C    1.820
*69945-58-0 n1cc(c(nc1N)N)Cc2cccc(c2)Cl    2.290
*70026-41-4 O=C1C3=C(N=C2C=CC=CN12)CCC3    1.190
*70381-44-1 O=C1C(=C(N=C2C=CC=C(N12)C)C)CC    1.860
*70413-35-3 O=C1C(=C(N=C2C=CC=C(N12)C)CCC)CC    2.370
*70648-16-7 o2c1cc(ccc1c3c2c(c(cc3Cl)Cl)Cl)Cl    6.230
*70648-24-7 o2c1c(ccc(c1c3c2c(cc(c3Cl)Cl)Cl)Cl)Cl    6.590
*70661-85-7 O=S2(=O)(N=C(N(c1ncccc12)C)C)   -0.050
*70859-35-7 O=C(Nc2cccc(OCCc1ccccc1)c2)N(C)C    3.390
*70934-02-0 O=C1c3c(N=C2N1CCC2)cccc3C    1.590
*70959-61-4 N#Cc1cc(cnc1(OC))c2ccncc2    2.020
*70965-23-0 O=C(OC)Cn1nc(nc1)[N+](=O)[O-]   -0.380
*70999-47-2 O=C(OCC)C1=CN=C2N(C1(=O))CCC(C)C2    0.660
*71006-74-1 O=[N+]([O-])c1nccn1CCCOc2ccccc2    2.380
*71006-76-3 O=[N+]([O-])c1nccn1CCOCC    0.530
*71125-75-2 n1cc(c(nc1N)N)Cc2cc(OC)c(c(OC)c2)n3cccc3    1.780
*71203-60-6 O=S(=O)(c1cc(OC)c(OC)c(OC)c1)CC    1.050
*71203-61-7 O=S(=O)(c1cc(OC)c(OC)c(OC)c1)CCC(C)C    2.120
*71203-64-0 O=S(=O)(c1cc(OC)c(OC)c(OC)c1)CCN(C)CCCC    2.050
*71203-66-2 O=S(=O)(c1cc(OC)c(OC)c(OC)c1)CCN(CCCC)CCCC    3.550
*71225-60-0 O=C(NCCN(CC)CC)c1cc(ccc1(OC))Br    3.200
*71317-09-4 O=C(NC(=O)C)NCC   -0.010
*71354-31-9 O=C(O)CCCC(=O)c1ccc(OC)c(c1)Cl    2.170
*71585-37-0 O(c1ccc(cc1Cl)Cl)c2ccc(c(c2Cl)Cl)Cl    6.280
*71585-39-2 O(c1ccc(c(c1Cl)Cl)Cl)c2ccc(c(c2Cl)Cl)Cl    6.820
*71759-43-8 O=C(OC)N1C=C(F)C(=O)NC1(=O)   -0.680
*71972-66-2 O=C2c3ccccc3(OC(c1ccccc1)=C2C)    3.920
*71998-72-6 o2c1cc(cc(c1c3cc(cc(c23)Cl)Cl)Cl)Cl    6.370
*72111-58-1 N#Cc1nc(c(nc1(C#N))Cl)CC    1.790
*72111-60-5 N#Cc1nc(c(nc1(C#N))Cl)CCCC    2.890
*72178-02-0 O=C(NS(=O)(=O)C)c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-]    2.900
*72299-07-1 O=C(N1CCCCC1)CC2CCCCC2    3.200
*72336-12-0 O=C(NC2c3ccccc3(c1ccccc12))CN(CC)CC    3.640
*72336-17-5 O=C(NCc1ccccc1)CN(CCC)CCC    3.110
*72336-19-7 O=C(NCc1ccccc1)CN2CCCCC2    2.270
*72336-22-2 O=C(NC2c3ccccc3(c1ccccc12))CN(CCC)CCC    4.610
*72430-63-8 O=C1N(c3ccc(cc3(C(=NC1)c2ccc(OC)cc2))Cl)C    3.150
*72570-99-1 O=C(Nc2ccc3c1ccc(cc1Cc3(c2))[N+](=O)[O-])C    3.080
*72619-32-0 O=C(OC)C(Oc2ccc(Oc1ncc(cc1Cl)C(F)(F)F)cc2)C    4.050
*72732-56-0 n1cc(c(c2c1nc(nc2(N))N)C)Cc3cc(OC)ccc3(OC)    2.130
*72781-91-0 n1c(nc(nc1N)c2ccccc2I)N    1.410
*72836-46-5 O=C(OCCN(CC)CC)C=Cc1ccc(OC)cc1    3.550
*72836-47-6 O=C(OCCN(CC)CC)C=Cc1cc(OC)c(OC)c(OC)c1    2.840
*72836-48-7 O=C(OCCN(CC)CC)C=Cc1ccc(F)cc1    3.520
*73090-06-9 O=C1OC3(c2ccccc12)(CCCC3)    2.560
*73250-68-7 O=C(N(c1ccccc1)C)COc3nc2ccccc2s3    3.230
*73264-18-3 n1cc(c(nc1N)N)Cc2ccc(OC)c(c2)C    1.910
*73264-20-7 n1cc(c(nc1N)N)Cc2ccc(OC)c(c2)C(C)C    2.790
*73459-03-7 O=C1Oc2c3ccoc3(cc(c2(C=C1))C)    2.410
*73469-85-9 O=C(NN)Nc1cccc(OC)c1    0.170
*73469-88-2 O=C(NN)Nc1ccccc1Br    0.660
*73469-89-3 O=C(NN)CNc1cccc(c1)Br    0.960
*73469-92-8 O=C(NN)Nc1ccc(O)cc1   -0.550
*73469-94-0 O=C(O)c1cccc(c1)NC(=O)NN   -0.160
*73469-95-1 O=C(O)c1ccc(cc1)NC(=O)NN   -0.210
*73576-30-4 n1cc(c(nc1N)N)Cc2cc(c(OC)c(c2)C)C    2.190
*73590-58-6 O=S(c1nc2cc(OC)ccc2([nH]1))Cc3ncc(c(OC)c3C)C    2.230
*74051-80-2 O=C1C(=C(O)CC(C1)CC(C)SCC)C(=NOCC)CCC    4.380
*74099-07-3 O=C(NN)Nc1ccc(OCC)cc1    0.530
*74099-08-4 O=C(NN)Nc2cccc1ccccc12    0.900
*74134-16-0 O=C2c1ccccc1S(=O)(=O)c3cc(ccc23)NC(=O)C    2.350
*74255-46-2 O=C(NN)NC(C)(C)C   -0.810
*74472-46-1 c1c(cc(cc1Cl)Cl)c2c(c(cc(c2Cl)Cl)Cl)Cl    7.370
*74550-87-1 O=[N+]([O-])c1cnc(n1C)C2CC2    1.000
*74553-29-0 O=Cc1cc(ccc1Br)Br    3.350
*74738-17-3 N#Cc1c[nH]cc1c2cccc(c2Cl)Cl    3.860
*75225-51-3 O=C(O)CC(O)CC(O)CCC2C(C=CC1=CC(C)CC(OC(=O)C(C)CC)C12)C    4.040
*75330-75-5 O=C3OC(CCC2C(C=CC1=CC(C)CC(OC(=O)C(C)CC)C12)C)CC(O)C3    4.260
*75584-60-0 O=C(OCC)C(n2nnc1ccccc12)C    1.870
*75773-74-9 O=Nc1ccc(O)c(N)c1    0.030
*75841-89-3 n1nc(ccc1Nn2c(ccc2C)C)N3CCCC3    2.450
*75841-91-7 n1nc(ccc1Nn2c(ccc2C)C)N3CCN(C)CC3    1.940
*75841-94-0 OCCN(c1nnc(cc1)Nn2c(ccc2C)C)CCO    1.060
*75841-95-1 OCCN(c1nnc(cc1)Nn2c(ccc2C)C)CC(O)C    1.300
*75841-97-3 OC(C)CN(c1nnc(cc1)Nn2c(ccc2C)C)CC(O)C    1.550
*75842-04-5 n1nc(ccc1Nn2c(ccc2C)C)N(C)CCOC    2.160
*75852-16-3 O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCI    1.390
*75852-19-6 O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCCCC    2.160
*76352-13-1 O=C(NC3CC2N(Cc1ccccc1)C(CC2)C3)c4cccc(OC)c4(OC)    3.240
*76529-47-0 O=[N+]([O-])c1c(ncn1C)I    1.290
*76542-54-6 N#CC(=Cc1oc(cc1)SC)C(=O)OC    2.610
*77269-58-0 O=C(O)Cc2ccc(OCCc1ccccc1)c(c2)Cl    3.530
*77298-35-2 N#CCCCCOC(=O)c1ccccc1    2.040
*77314-75-1 n1ccc(cc1N)c2nc(n[nH]2)N    0.110
*77317-65-8 O=C1NC(=C(C(=O)N1(OC))Br)C   -0.300
*77317-66-9 O=C1NC(=C(C(=O)N1(OCC))Br)C    0.110
*77317-70-5 O=C1NC(=C(C(=O)N1(OCC=C))Br)C    0.320
*77317-74-9 O=C1NC(=C(C(=O)N1(OCC(C)C))Br)C    1.230
*77317-75-0 O=C1NC(=C(C(=O)N1(OCCCCC))Br)C    1.690
*77317-86-3 N#CSC=1C(=O)N(OCCC)C(=O)NC=1C   -0.220
*77317-87-4 O=C1NC(=C(C(=O)N1(OCCC))Br)CCC    1.730
*78233-99-5 n1cc(c(nc1N)N)Cc3ccc(OC)c(OCc2ccccc2)c3    2.440
*78508-45-9 O=C(N)Nc1ccc(F)c(c1)C    1.590
*78834-86-3 N(c1cccc(c1Cl)Br)=C2NCCN2    2.050
*78834-88-5 N(c1cccc(c1Br)Br)=C2NCCN2    2.160
*79538-32-2 O=C(OCc1c(F)c(F)c(c(F)c1(F))C)C2C(C=C(C(F)(F)F)Cl)C2(C)(C)    6.500
*79902-63-9 O=C3OC(CCC2C(C=CC1=CC(C)CC(OC(=O)C(C)(C)CC)C12)C)CC(O)C3    4.680
*79983-71-4 OC(c1ccc(cc1Cl)Cl)(Cn2ncnc2)CCCC    3.900
*80060-09-9 O(c1ccccc1)c2cc(c(NC(NC(C)(C)C)=S)c(c2)C(C)C)C(C)C    6.000
*80431-15-8 O=C(NN1CC=CCC1)c2cccs2    1.880
*80563-87-7 O=C(OC)c1c(cccc1Cl)[N+](=O)[O-]    2.210
*80616-57-5 O=C(Nc1n[nH]c(n1)NC(=O)CC)CC    0.070
*80680-06-4 Fc1ccc(cc1)C4c2ccc(cc2C(N3CCN(CCO)CC3)C4)C(F)(F)F    4.390
*80916-23-0 O=C(OCC(O)(C)COc1cccc2ccccc12)C(=C)C    3.770
*80929-58-4 O=C(OCOC(=O)C(C)(C)C)C3=C(COC(=O)C)CSC2N3(C(=O)C2(NC(=O)CSc1ccncc1))    1.630
*81020-79-3 N#CC(C#N)=Cc1oc(cc1)C    2.030
*81060-11-9 Fc2ccc(c(N=C1NCCN1)c2)Cl    1.520
*81335-37-7 O=C(O)c2cc3ccccc3(nc2(C1=NC(C(=O)N1)(C)C(C)C))    1.860
*81437-10-7 n1cc(OCC)c[nH]1    0.800
*81592-05-4 N#Cc2ccc(OC(=O)CNC(=O)c1ccccc1)cc2    2.110
*81592-09-8 O=C(Oc1cccc(c1)NC(=O)C)CNC(=O)c2ccccc2    1.700
*81592-12-3 N#Cc2cccc(OC(=O)CNC(=O)c1ccccc1)c2    2.110
*81777-89-1 O=C1N(OCC1(C)C)Cc2ccccc2Cl    2.500
*81792-73-6 O=C(NS(=O)(=O)c1ccccc1(N))C(C)C    1.170
*81792-79-2 O=C(NS(=O)(=O)c1ccc(cc1(N))C)C(CC)CC    2.180
*81792-82-7 O=C(NS(=O)(=O)c1ccc(cc1(N))Cl)C(CC)CC    2.530
*81793-03-5 O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(CC)CC    2.170
*81793-04-6 O=C(NS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C)C(CC)CC    2.670
*81872-10-8 O=C(O)C2N(C(=O)C(C)CSC(=O)c1ccccc1)CC(C2)Sc3ccccc3    4.400
*82249-23-8 O=[N+]([O-])c1nccn1CC(O)COCCCC    1.110
*82774-00-3 O=C(ON=C(C)SC)N(C)SN(C(=O)c1ccc(cc1)C)C    2.500
*82775-80-2 [O-][n+]2onc(c2(c1ccccc1))Cl    2.820
*82775-81-3 [O-][n+]2onc(c1ccccc1)c2Cl    2.700
*82784-14-3 O=C(ON=C(C)SC)N(C)SN(C(=O)c1c(cccc1Cl)Cl)C    2.600
*83040-20-4 O=C(O)C1C(C(=O)O)C(C)(C)N(=O)C1(C)(C)    0.460
*83073-36-3 O=C(c1ccc(cc1)Cl)c2c(cc3n2CCC3(C(=O)O))C    3.600
*83073-37-4 O=C(O)C3c2cc(c(C(=O)c1ccc(F)cc1)n2CC3)CC    3.630
*83118-51-8 FC(F)(F)c1ccc2c(c1)C3CC2CC3(N)    3.020
*83128-50-1 O=C1NC(=O)C(C(=O)N1C)CC    0.150
*83157-96-4 n1cc(c(nc1N)N)Cc2c(c(OC)cc(OC)c2Cl)Cl    2.550
*83158-00-3 Oc1cc(cc(O)c1(OC))Cc2cnc(nc2(N))N   -0.040
*83158-02-5 n1cc(c(nc1N)N)Cc4cc(OCc2ccccc2)c(OC)c(OCc3ccccc3)c4    3.890
*83158-03-6 n1cc(c(nc1N)N)Cc2cc(OCCCC)c(OC)cc2C    2.780
*83158-04-7 n1cc(c(nc1N)N)Cc2cc(c(OC)c(c2)Cl)Cl    2.780
*83166-75-0 OC(c1ccc(cc1(OC))Cc2cnc(nc2(N))N)(C)C    1.380
*83166-77-2 N#CCOc1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N    0.720
*83657-22-1 OC(C(=Cc1ccc(cc1)Cl)n2ncnc2)C(C)(C)C    3.670
*83704-27-2 o2c1c(cccc1Cl)c3c2c(c(cc3Cl)Cl)Cl    6.310
*83704-55-6 o2c1c(cc(cc1Cl)Cl)c3c2c(c(cc3Cl)Cl)Cl    6.240
*83870-87-5 O=C(O)C(NS(=O)(=O)c1ccccc1)CCC(=O)N    0.330
*83905-01-5 O=C3OC(CC)C(O)(C)C(O)C(N(C)CC(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1(O))C(C)C(OC2OC(C)C(O)C(OC)(C)C2)C3C)C    4.020
*83992-70-5 O(c1ccc(c(c1)Cl)Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl    7.310
*83992-75-0 O(c1cc(c(cc1Cl)Cl)Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl    7.810
*84057-96-5 Fc1ccc(cc1)CCOCCOc2ccc(OCC(O)CNC(C)C)cc2    3.700
*84174-21-0 O=NN(C)Cc1ccc(F)cc1    1.670
*84174-24-3 O=NN(C)Cc1ccc(cc1)[N+](=O)[O-]    0.820
*84226-14-2 O=C(NCC1N(CC)CCC1)c2c(OC)ccc(c2(O))Br    2.000
*84368-16-1 O=C(OC)C2C(C=C1C(=O)SCC1)C2(C)(C)    2.330
*84640-26-6 O=C(OCc1cccc(c1)Cl)N(C)C    2.820
*84640-28-8 O=C(OCc1cccc(c1)N(C)C)N(C)C    2.280
*84640-39-1 O=C(OCc1ccc(cc1)SC)N(C)C    2.860
*84952-62-5 c1ccc(cc1)C(CNC)CC(C)C    3.760
*85432-37-7 O=C1N=C(OC(C)C)NC(=O)C1(c2ccccc2)CC    1.790
*85445-03-0 O=C1N=C(OC(C)C)NC(=O)C1(CC)CC    1.440
*85544-41-8 n1cc(c(nc1N)N)Cc2ccc(OCC)c(OC)c2    1.340
*85544-43-0 n1cc(c(nc1N)N)Cc2ccc(OC)c(c2)I    2.090
*85544-46-3 n1cc(c(nc1N)N)Cc2ccc(OC)c(c2)N(C)C    1.680
*85544-51-0 n1cc(c(nc1N)N)Cc2cc(ccc2(OC))Br    2.440
*85653-87-8 O=C1C3=C(NC2N1C(=CCC2)C)CCC3    1.200
*85653-88-9 O=C2C3=C(NC1N2(C=C(C)CC1))CCC3    1.220
*85729-23-3 O=C(NC)c2c[nH]c1ccccc12    1.250
*85911-77-9 O=C(Nc1ccc(cc1)CCC)N(C)C    2.550
*85918-31-6 O(c1ccc(c(c1)Cl)Cl)c2ccc(c(c2Cl)Cl)Cl    6.510
*85918-33-8 O(c1ccccc1)c2c(cc(c(c2Cl)Cl)Cl)Cl    5.880
*86017-96-1 N#CC(C#N)=NNc1ccc(cc1)C(=O)CCl    2.150
*86230-37-7 O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)c3ccc(cc3)Cl)C    4.000
*86845-62-7 O=[N+]([O-])c1nc(c(nc1(N))NCCO)Cl    0.120
*86886-77-3 O=C(Nc1ccc(c(c1)Cl)Cl)CCc2ccccc2    4.850
*87130-47-0 O=C(OC(CBr)CBr)Nc1ccc(OCC)c(OCC)c1    3.500
*87340-61-2 O=C(OCc1ccc(cc1)C(=O)N)N(C)C    0.770
*87374-78-5 O=C(Oc1cc(OCC#C)c(cc1Cl)Cl)N2CCCCC2    4.250
*87418-35-7 FC1CC(OC1(CO))n3cnc2c(ncnc23)N    0.080
*87469-43-0 O=C2Nc1c(ncn1CCOCC)C(=N)N2C   -0.400
*87469-54-3 O=C1Nc2ncn(c2(C(=N)N1C))CCOc3ccc(cc3)Br    1.250
*87653-22-3 O=C(NC)NCCCCN1N=C(C=CC1(=O))c2ccccc2    1.230
*87653-23-4 O=C(NCC)NCCCCN1N=C(C=CC1(=O))c2ccccc2    1.830
*87653-35-8 O=C1C=CC(=NN1CCCCNC(=O)N(C)C)c2ccccc2    1.580
*87666-26-0 O=C(N)NCCCN1N=C(C=CC1(=O))c2ccccc2    0.690
*87666-27-1 O=C(NC)NCCCN1N=C(C=CC1(=O))c2ccccc2    1.160
*87666-28-2 O=C(NCC)NCCCN1N=C(C=CC1(=O))c2ccccc2    1.680
*87666-30-6 O=C1C=CC(=NN1CCCNC(=O)N(C)C)c2ccccc2    1.610
*87743-55-3 O=C(OC)Nc1cccc(c1)C(=O)C    1.630
*87789-49-9 Fc1nc(ncc1)N2CCNCC2    0.970
*87885-53-8 O=C(OC)c1nc(cnc1[N+](=O)[O-])NCC(O)CO   -0.100
*88058-85-9 Oc1ccc2c(c1)C3OCCN(CCC)C3(CC2)    2.440
*88203-03-6 O=C(N)c1ccccc1(NC(=O)C(Cl)Cl)    1.680
*88203-04-7 N#CCNc1ccccc1(C(=O)C)    1.580
*88203-07-0 O=C(N)CNc1ccccc1(OC)    0.780
*88695-06-1 O=C1Nc3cc(c(cc3(C(=NC1)c2ccccc2(F)))Cl)Cl    3.630
*88793-46-8 O=[N+]([O-])c1nc(c(nc1(N))NCC(O)CO)Cl   -0.220
*88837-70-1 O=[N+]([O-])C(C)C(c1ccccc1)c2ccccc2    3.910
*89075-54-7 n1ccc2[nH]c(nc2(c1))c3c(OC)cccc3(OC)    1.660
*89083-18-1 O=C(Nc1nc(NCC(O)CO)c(nc1[N+](=O)[O-])Cl)C    0.000
*89083-22-7 O=C(Nc1nc(c(nc1[N+](=O)[O-])Cl)N2CCN(C)CC2)C    0.500
*89145-29-9 O=C(OCC)NC2=NCC(c1cccc(F)c1)N2C    1.840
*89246-38-8 N#Cc1ccc(cc1)CC(=O)Nc2ccccc2    2.820
*89246-40-2 N#Cc1cccc(c1)NC(=O)Cc2ccccc2    2.750
*89690-74-4 O=C(Nc1nc(NC(O)CC(O)CO)c(nc1[N+](=O)[O-])Cl)C   -0.660
*89770-35-4 n2c(nc(c1ccccc1)c3ccccc23)NC    3.580
*89770-36-5 n1nc(OCCCC)ccc1    1.800
*89811-25-6 O=C(C=Cc1oc(cc1)[N+](=O)[O-])NCC(C)C    2.230
*89843-47-0 O=[N+]([O-])c1ccc2[nH]cnc2(c1)    1.500
*89892-78-4 C1(=C(C)SSC1=S)CCC    3.390
*89894-13-3 O=C(O)COc1ccc(c(c1)[N+](=O)[O-])Cl    1.850
*90147-19-6 O=C(OCCCC)C=Cc1oc(cc1)[N+](=O)[O-]    2.830
*90147-31-2 O=C(C=Cc1oc(cc1)[N+](=O)[O-])NCCC    1.860
*90467-88-2 N#CN=[N+]([O-])C(C)(C)C    1.400
*90875-63-1 O=C(Nc1cc(ccc1S(=O)(=O)N)Cl)C(C)C    1.870
*91182-09-1 O=C(C=Cc1oc(cc1)[N+](=O)[O-])NCCCC    2.360
*91445-76-0 O=C(O)CCC1=NS(=O)(=O)c2cc(ccc2(N1))Br    0.930
*91551-85-8 O=C(O)CCC1=NS(=O)(=O)c2cc(ccc2(N1))Cl    0.690
*91937-67-6 N#CC(C#N)=Cc1oc(cc1)Cl    2.170
*92598-84-0 O=C(OCC(Cc1cncn1C)C(C(=O)OCc2ccccc2)CC)c3ccccc3    4.370
*92598-90-8 O=C(OCC(Cc1cncn1C)C(C(=O)OCc2ccc(cc2)Cl)CC)c3ccccc3    4.900
*92622-09-8 O=C(OCC(Cc1cncn1C)C(C(=O)OCc2ccccc2)CC)c3cccc(c3)Cl    5.080
*92712-47-5 n1nc(n[nH]1)CCCCCCC    2.010
*92936-20-4 O(C)C(c1ccccc1)C(NC)C    1.960
*93371-55-2 O=C(O)C(c1ccc(cc1)c2ccccc2)C(O)(C)C    3.250
*93414-41-6 O=Cc2ccc(OCCOC(=O)c1ccccc1Cl)c(OC)c2    3.210
*93414-43-8 O=Cc2ccc(OCCOC(=O)c1ccc(cc1)Cl)c(OC)c2    3.710
*93414-50-7 ON=Cc1ccc(OCCO)c(OC)c1    0.820
*93414-59-6 O=C(NCCN(CC)CC)c1cc(F)c(N)cc1(OC)    2.280
*93414-62-1 O=C(NCC1CN(CC)CC1)c2cc(ccc2(OC))S(=O)(=O)N    0.640
*93414-64-3 O=C(NCC1CN(CC)CC1)c2cc(c(N)cc2(OC))S(=O)(=O)N    0.660
*93450-23-8 O=C(OCCN1CCCCC1)Nc2cccc(c2)COCCCC    3.730
*94339-59-0 O(c1ccc(c(c1)Cl)Cl)c2cc(c(c(c2)Cl)Cl)Cl    6.830
*94339-60-3 O(c1cc(c(c(c1)Cl)Cl)Cl)c2ccc(c(c2Cl)Cl)Cl    6.990
*94361-06-5 OC(c1ccc(cc1)Cl)(Cn2ncnc2)C(C)C3CC3    2.900
*94452-21-8 O=C1NC=C(F)C(=O)N1C(=O)CCC    0.670
*94497-46-8 O=C(Nc1ccc(c(c1)Cl)Cl)COC    2.770
*94641-11-9 O=S(=O)(N)c2nc1ccc(N)cc1s2    0.520
*94723-89-4 O=C(C=Cc1ccc(cc1)CC)C    3.260
*94789-37-4 N#Cc1nccc(n1)OC    0.860
*95384-52-4 O=C(Nc1cccc(c1)I)Cc2ccccc2    3.910
*95384-58-0 O=C(Nc1ccccc1(O))Cc2ccccc2    2.400
*95384-60-4 O=C(Nc1ccccc1(OC))Cc2ccccc2    2.680
*95440-71-4 O=C1C=CC4(C(=C1)CCC3C4(C(=O)CC2(C)(C3(CCC2(OC(=O)C)(C(=O)CO)))))(C)    2.430
*95549-92-1 O=C(N3CCN(c1nc(N)c2cc(OC)c(OC)cc2(n1))CC3)C(OC)C    1.140
*95853-68-2 FC(F)(F)C(C)CCO    1.370
*96027-93-9 O=C(OCCNC(=O)C(F)(F)F)c1ccccc1    2.250
*96258-80-9 O=C(OCC)Cn1cnc(c1I)[N+](=O)[O-]    0.570
*96327-60-5 O=C(O)C3c2ccc(C(=O)c1c(F)c(F)c(F)c(F)c1(F))n2CC3    3.240
*96860-23-0 n1ccccc1C(=NNC(NNC(N(C)C)=S)=S)C    1.250
*97141-32-7 O=C(Nc1cc(ccc1S(=O)(=O)N)C)C(CC)CC    2.130
*97183-45-4 N(NC(=Nc1ccccc1)N)=C(CCC)CCC    2.330
*97183-49-8 N=C(N)NN=C(c1ccccc1)c2cccs2    1.960
*97871-47-1 O=C(C=C(c1ccccc1)Cl)NC(C)CC    3.520
*97871-49-3 O=C(NC(C)CC)C(F)=Cc1ccccc1    3.100
*97871-50-6 O=C(C=Cc1ccccc1)NC(C)CC    2.850
*97871-55-1 O=C(NC(C)CC)C(OCC)=Cc1ccccc1    3.200
*97871-57-3 O=C(NC(C)CC)C(=Cc1ccccc1)CCCC    4.070
*97871-63-1 O=C(C=C(c1ccc(cc1)Cl)CC)NC(C)CC    4.380
*97871-69-7 O=C(C=C(N)c1ccc(cc1)Cl)NC(C)CC    2.940
*97886-45-8 O=C(c1c(nc(c(C(=O)SC)c1CC(C)C)C(F)(F)F)C(F)F)SC    4.750
*98154-94-0 O=C(OCCc2c[nH]c1ccccc12)N(C)C    2.540
*98154-97-3 O=C(OCCCc1cnccc1)N(C)C    1.440
*98204-10-5 O=C2NC=Nc1c2(cnn1COC(=O)C(N(CC)CC)C)    0.720
*98369-49-4 O=C(OCc1ccccc1)c2ccccc2SC3NC(=O)C3    2.620
*98417-00-6 O=C(c1c(no[n+]1([O-]))C)C    0.980
*98730-04-2 O=C(N1c2ccccc2(OCC1C))C(Cl)Cl    2.700
*98736-47-1 O=NN(C)Cc1cccc(c1)Br    1.650
*98736-48-2 O=NN(C)Cc1cccc(c1)C(F)(F)F    1.990
*99414-56-9 O=C(O)CC(C)CC(=O)c1ccc(OC)c(c1)Cl    2.600
*99481-58-0 O=C(c1ccc(cc1)Br)C(=NO)SCCC    3.380
*99877-05-1 O=C(OC1CCCCC1)C(N)Cc2ccc(O)c(O)c2    1.790
*99877-10-8 O=C(OCCc1ccc(OC)cc1)C(N)Cc2ccc(O)c(O)c2    1.690
*99877-11-9 O=C(OCCOc1ccccc1)C(N)Cc2ccc(O)c(O)c2    1.510
*100134-47-2 O=C(NCCC)c1cc2ccccc2([nH]1)    2.800
*100199-27-7 OC3(c1ccc(cc1)Cl)(CCCCCC3(n2ncnc2))    3.280
*100668-10-8 O=C(C=Cc1ccc(O)c(O)c1)NCc2ccccc2    2.480
*100853-66-5 O=P(NN=Cc1ccccc1)(N2CC2)N3CC3    0.480
*100853-73-4 O=[N+]([O-])c3ccc(C=NN(C)P(=O)(N1CC1)N2CC2)cc3    0.510
*100853-79-0 O=P(NN=C(C)C)(N1CC1)N2CC2    0.450
*100853-80-3 O=P(N(N=C(C)C)C)(N1CC1)N2CC2    0.510
*101063-93-8 O=C(O)CCC1=NS(=O)(=O)c2cc(cc(c2(N1))Cl)Cl    1.040
*101063-94-9 O=C(O)CCC1=NS(=O)(=O)c2cc(c(cc2(N1))Cl)Cl    1.500
*101063-96-1 O=C(O)CCC1=NS(=O)(=O)c2ccc(cc2(N1))C    0.160
*101063-98-3 O=C(O)CCC1=NS(=O)(=O)c2ccc(cc2(N1))C(F)(F)F    1.300
*101063-99-4 O=C(O)CCCC1=NS(=O)(=O)c2ccc(cc2(N1))Cl    0.830
*101064-04-4 O=C(O)CCCC1=NS(=O)(=O)c2cc(cc(c2(N1))Br)Br    1.510
*101064-06-6 O=C(O)CCCC1=NS(=O)(=O)c2ccc(OC)cc2(N1)    0.120
*101126-53-8 O=C2CCCCC2(Oc1cc(c(OCCN(C)C)cc1C)C(C)C)    3.630
*101126-55-0 O=C(Oc1ccc(OCCN(C)C)cc1C)C    1.640
*101250-97-9 O=[N+]([O-])N=C(NC)NC   -0.700
*101347-40-4 O=P(OCCOCCOCC)(N1CC1)N2CC2    0.100
*101820-66-0 O=C(N)c2ccccc2(NCCOc1ccccc1C)    2.940
*101820-68-2 O=C(N)c1cc(ccc1(NCCO))Cl    1.260
*101870-22-8 n1ccccc1OCCC    2.380
*101903-30-4 O=C(OCCCC=C)C(N(C(=O)n1cncc1)Cc2occc2)CC    3.000
*102273-19-8 O=C(OCOc2ccccc2(C(=O)NCN1CCOCC1))C    0.270
*102361-46-6 O=S(c3ccc(c1nc2n(c1)CCNC2(OC))c(OC)c3)C    1.490
*102361-56-8 O=C(N)c3ccc(c1nc2NCCCn2(c1))c(OC)c3    0.700
*102408-26-4 n1cccc3c1ccc2c3(nc(NC)n2C)    1.820
*102417-86-7 c1ccc(c(c1)C2=CCN(C)CC2)C    3.100
*102587-48-4 O=C(Nc1cccc(c1)Cc2ccccc2)N(C)C    2.830
*103426-94-4 c2c1c(c(c(cc1Cl)Cl)Cl)c(c(c2Cl)Cl)Cl    7.500
*103499-09-8 ON=C(c1nc(no1)C(C)(C)C)SCCN(CC)CC    2.020
*103839-45-8 O=C(OCCCl)N1C=C(F)C(=O)NC1(=O)    0.020
*103910-47-0 O=C(O)C(O)(c1ccc(cc1)CC(C)C)CC    3.370
*103951-40-2 O=C(N)c1ccccc1(OCOC(=O)C(C)(C)C)    2.000
*103981-95-9 O=C(NC1CC(N(O)C1(C)(C))(C)C)NP(=O)(N2CC2)N3CC3   -0.600
*103981-98-2 O=C(NC23(CC1CC(CC(C1)C2)C3))NP(=O)(N4CC4(C)C)N5CC5(C)C    1.980
*103981-99-3 O=C(NC1CC(C)(C)N(=O)C1(C)(C))NP(=O)(N2CC2)N3CC3   -0.480
*104438-04-2 O=C(OCCCS(=O)(=O)c1ccc(s1)S(=O)(=O)N)C    0.170
*104958-86-3 O=[N+]([O-])c1ncn(n1)CC(O)COC   -0.490
*104958-88-5 O=[N+]([O-])c1ncn(n1)CC(O)COCC   -0.070
*105412-27-9 O=C(OCCCCC(=O)N)c1ccccc1    1.390
*105456-59-5 O=S(=O)(c1ccc(N)cc1)c2ccc(OC)cc2(OC)    1.640
*105456-60-8 O=S(=O)(c1ccc(N)cc1)c2ccc(O)cc2(O)    1.290
*105801-49-8 O=C(NC1c2ccccc2(OC1))CN3CCOCC3    0.810
*105801-50-1 O=C(NC1c2cc(ccc2(OC1))Cl)CN(CC)CC    2.880
*105801-52-3 O=C(NC1c2cc(ccc2(OC1))Cl)CN3CCCC3    2.470
*105801-53-4 O=C(NC1c2cc(ccc2(OC1))Cl)CN3CCCCC3    3.010
*105801-54-5 O=C(NC1c2cc(ccc2(OC1))Cl)CN3CCOCC3    1.550
*105801-55-6 O=C(NC1c2cc(ccc2(OC1))C)CN(CC)CC    2.690
*105801-58-9 O=C(NC1c2cc(ccc2(OC1))C)CN3CCCCC3    2.780
*105801-59-0 O=C(NC1c2cc(ccc2(OC1))C)CN3CCOCC3    1.380
*105801-65-8 O=C(NC1c2ccccc2(OC1))CN(CC)CC    2.200
*105801-67-0 O=C(NC1c2ccccc2(OC1))CN3CCCC3    1.760
*105951-32-4 O=C2c1c(cc(s1)S(=O)(=O)N)SCC2    0.910
*105951-39-1 O=C2c1c(cc(s1)S(=O)(=O)N)S(=O)(=O)CC2   -0.200
*105983-46-8 O=[N+]([O-])c1[nH]c(nc1C)Br    0.860
*106231-37-2 O=C(ON=C1CSCCS1)NC    0.490
*106231-46-3 O=C(ON=C1C(C)SCS1)NC    0.910
*106231-47-4 O=C(ON=C1C(C)(C)SCS1)NC    1.310
*106231-50-9 O=C(OCC(=O)NC)c1ccccc1    0.990
*106231-52-1 O=C(OCC(=O)NC(C)(C)C)c1ccccc1    2.260
*106231-54-3 O=C(OCC(=O)N(C)C)c1ccccc1    1.070
*106231-67-8 O=C(OCC(=O)N1CCCCC1)c2ccccc2    1.950
*106319-38-4 O=S(=O)(N)c1cc2c(s1)SCCC2(O)    0.680
*106319-42-0 O=S(=O)(N)c1cc2c(s1)S(=O)(=O)CC(O)C2   -0.440
*106319-44-2 O=S(=O)(N)c2cc1c(C(O)CCS1)s2    0.480
*106325-08-0 Fc1ccc(cc1)C3(OC3(c2ccccc2Cl))(Cn4ncnc4)    3.440
*106848-84-4 O=C(OCC(Cc1cncn1C)C(C(=O)OCc2ccccc2)CC)CCC    3.780
*106848-86-6 O=C(OCc1ccc(cc1)C)C(CC)C(COC(=O)C(C)(C)C)Cc2cncn2C    4.550
*107036-57-7 O=C1N=C(N)C(=CN1C2OC(CO)CC2)Br   -0.500
*107085-84-7 O=C(O)CCCCCC(=O)OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C)))    3.260
*107115-74-2 O=C(O)C3c2cc(c(C(=O)c1ccc(F)cc1)n2CC3)C    2.970
*107534-96-3 OC(Cn1ncnc1)(CCc2ccc(cc2)Cl)C(C)(C)C    3.700
*108611-20-7 N#Cc1cc(c(nc1(NCCN))C)c2ccncc2    1.910
*108611-24-1 N#Cc2cc(c1ccccc1)c(nc2(NCC(O)C))C    2.720
*108635-80-9 N#Cc1cc(c(nc1Cl)C)c2ccc(OC)cc2    3.380
*108966-60-5 O=[N+]([O-])c1cc(ccc1S(=O)(=O)CCCO)S(=O)(=O)N   -0.050
*108966-61-6 O=S(=O)(N)c1ccc(c(N)c1)S(=O)(=O)CCCO   -0.480
*108966-67-2 O=C(OC)c1cc(ccc1S(=O)(=O)CCCO)S(=O)(=O)N   -0.300
*109232-73-7 O=C(OC(C)C)N1C=C(F)C(=O)NC1(=O)    0.200
*109777-62-0 O=C1NC(=O)C(C(=O)N1)(C)C(C)(C)C    0.800
*109828-22-0 O(c1ccc(c(c1)Cl)Cl)c2cc(c(c(c2Cl)Cl)Cl)Cl    7.070
*109881-25-6 OCC1OC(C=C1)n3cnc2c(nc(nc23)N)N   -0.480
*110143-05-0 FC3CC(OC3(n2cnc1c(ncnc12)N))CO   -0.160
*110192-33-1 FC(F)(F)c1cccc2c1CC3CCC2C3(N)    3.530
*110267-95-3 FC(F)(F)c1ccc2c(c1)CC3CCC2C3(N)    3.540
*110747-15-4 OC(COc1ccccc1C)CNCC(O)COc2ccccc2C    3.670
*111075-87-7 O=C(NNC(=O)C)Nc1ccc(cc1)C(C)(C)C    2.080
*111075-88-8 O=C(NNC(=O)C)Nc1cccc(F)c1    0.730
*111075-94-6 O=C(NNC(=O)C)Nc1cccc(c1)C(F)(F)F    1.590
*111075-98-0 O=C(NNC(=O)C)Nc1ccc(cc1)N(C)C    0.110
*111075-99-1 O=C(NNC(=O)C)Nc1ccc(O)cc1   -0.790
*111076-02-9 N#Cc1ccc(cc1)NC(=O)NNC(=O)C    0.380
*111226-62-1 n1ccn(c1)C(OC(COc2ccccc2)C(C)(C)C)=S    4.270
*111226-68-7 n1ccn(c1)C(OC(COc2ccc(cc2)C(C)C)C(C)(C)C)=S    5.210
*111227-09-9 O=C(OC(COc1ccc(cc1)c2ccccc2)C(C)(C)C)n3cncc3    4.560
*111227-18-0 O=C(OC(COc1ccc(cc1)SC)C(C)(C)C)n2cncc2    4.030
*111436-12-5 N=4c1ccccc1N(c2ccc(cc2)Cl)C5=CC(=NCC3CCNCC3)C(=CC=45)Nc6ccc(cc6)Cl    6.440
*112226-22-9 O=C(NN(C(=O)c1ccc(c(c1)Cl)Cl)C(C)(C)C)c2ccccc2    4.250
*112226-82-1 O=C(NN(C(=O)c1cccc(c1)[N+](=O)[O-])C(C)(C)C)c2ccccc2    2.730
*112427-09-5 O=C(NN(C(=O)c1cccc(c1)Br)C(C)(C)C)c2ccccc2    3.490
*112427-73-3 O=C(NN(C(=O)c1ccc(cc1)I)C(C)(C)C)c2ccccc2    3.780
*112960-12-0 Oc1ccc2OCC3N(CCOC3(c2(c1)))CCC    1.970
*113270-69-2 n1cccc2nc([nH]c12)c3ccc(cc3)CC    3.420
*113464-17-8 O(c1ccc(cc1)Cl)c2cc(c(c(c2Cl)Cl)Cl)Cl    6.610
*113588-97-9 O=C(Nc1nnn[nH]1)c2c(OC(C)C)c(c(Br)s2)Br    1.850
*113932-80-2 O=C(OC)Nc1ccccc1C(F)(F)F    2.090
*114260-70-7 O=C(O)CSC1=NS(=O)(=O)c2ccc(cc2(N1))Cl    0.820
*114260-72-9 O=C(O)CSC1=NS(=O)(=O)c2cc(cc(c2(N1))Cl)Cl    1.090
*114260-76-3 O=C(O)CSC1=NS(=O)(=O)c2ccc(cc2(N1))C    0.700
*114260-77-4 O=C(O)CSC1=NS(=O)(=O)c2ccc(OC)cc2(N1)    0.370
*114282-93-8 O=C(O)CSC1=NS(=O)(=O)c2ccccc2(N1)    0.180
*114895-04-4 N#CN=[N+]([O-])c1cccc(F)c1    1.850
*114895-07-7 N#CN=[N+]([O-])c1ccc(F)cc1    1.800
*115054-71-2 O=C(N)C(n2nnc1ccccc12)C    0.350
*115054-77-8 O=C(N)C(n2nnc1ccccc12)(C)C    0.760
*115054-78-9 O=C(OCC)C(n2nnc1ccccc12)CC    2.340
*115054-81-4 O=C(N)C(n2nnc1ccccc12)CCCC    1.880
*115054-85-8 O=C(N)C(n1nc2ccccc2(n1))(C)C    1.160
*115054-88-1 O=C(N)C(n1nc2ccccc2(n1))C    0.860
*115054-90-5 O=C(N)C(n1nc2ccccc2(n1))CCCC    2.280
*115054-92-7 O=C(OCC)CCC(n2nnc1ccccc12)C    2.640
*115054-97-2 O=C(N)CCC(n1nc2ccccc2(n1))C    1.350
*115178-66-0 O=C(OCC(=O)N1CCC1)c2ccccc2    1.200
*115178-68-2 O=C(OCC(=O)N1CCCCCC1)c2ccccc2    2.300
*115178-70-6 O=C(OCC(=O)N1C(C)CCCC1C)c2ccccc2    2.900
*115178-74-0 O=C(OCC(=O)N1CCC1(C(=O)O))c2ccccc2    0.790
*115178-76-2 O=C(OCC(=O)N1CCCC1(C(=O)OC))c2ccccc2    1.420
*115178-77-3 O=C(OCCC(=O)N(C)C)c1ccccc1    1.280
*115178-80-8 O=C(OCC(=O)N(C(=O)C)C)c1ccccc1    1.580
*115193-27-6 O=C(OCC(=O)NC(C)C)c1ccccc1    1.730
*115193-28-7 O=C(OCC(=O)NCCCC)c1ccccc1    2.360
*115193-29-8 O=C(OCC(=O)NCCCCCC)c1ccccc1    2.810
*115193-30-1 O=C(OCC(=O)NC(C(=O)N)C)c1ccccc1    0.420
*115201-42-8 n1cnn(c1)Cc2ccc(OC)cc2    1.100
*115201-43-9 n1cnn(c1)Cc2ccc(cc2)CCCC    2.810
*115249-86-0 O=C1NC(=O)N(C=C1Br)C2OC(CO)C(F)C2   -0.040
*116005-03-9 Oc1ccc2OCCC(c2(c1))N(CCC)CCC    3.170
*116167-27-2 O=C(O)C1CC(=O)N(CCCCCC)C1    1.600
*116383-85-8 O=C(OC)c1c([nH]c(c1(C(=O)OC))C)c2nccc(c2)Cl    2.630
*116407-52-4 O=C1C(O)=CC=CN1CCCC    1.180
*116482-75-8 O=C(OCC(=O)N(CCC)CCC)c1ccccc1(OC(=O)C)    2.090
*116482-80-5 O=C(OCC(=O)N1CCOCC1)c2ccccc2(OC(=O)C)    0.300
*117121-41-2 O=C(Nc2ccc(Oc1nnn(n1)C)cc2)N(C)C    0.630
*117121-50-3 N#CCCn1nnc(n1)Oc2ccc(cc2)NC(=O)N(C)C    0.280
*117491-56-2 O=C(OCN1C(=O)C=C(C1(=O))C)C    0.450
*117505-21-2 N#CN=[N+]([O-])c2cccc1ccccc12    3.170
*117505-22-3 N#CN=[N+]([O-])c2ccnc1ccccc12    2.070
*117509-89-4 O=C(OCN1C(=O)C2CC=CCC2(C1(=O)))C    0.970
*118198-71-3 Oc1ccc(cc1(O))C(O)CCCCC    2.320
*118247-03-3 O=C(OCC(=O)NCC(=O)OCC)c1ccccc1(OC(=O)C)    0.990
*118247-08-8 O=C(OCCN(C(=O)C)C)c1ccccc1(OC(=O)C)    1.460
*118259-45-3 O=C(Nc2ccc(Oc1nnnn1C(C)(C)C)c(c2)Cl)N(C)C    2.250
*118506-53-9 [O-][n+]1onc(c1(N))C   -0.320
*118709-72-1 O=C1NC(=O)C(C(=O)N1)(C(C)(C)C)Cl    0.820
*118993-61-6 O=C(c1coc(c1)S(=O)(=O)N)c2ccc(OC)cc2    1.520
*119005-20-8 O=C3NC(Oc1ccc(cc1)C(=O)CCc2ccccc2)C3    2.480
*119005-22-0 O=C1NC(C1)Sc2ccc3ccccc3(c2)    2.640
*119005-29-7 O=C(C=Cc1ccccc1)c3ccc(OC2N(C(=O)C2)CC(=O)OCC)cc3    3.300
*119018-06-3 O=C(c1ccc(cc1)C)c2cc(sc2)S(=O)(=O)N    2.160
*119168-77-3 O=C(NCc1ccc(cc1)C(C)(C)C)c2c(c(nn2C)CC)Cl    4.610
*120068-37-3 N#Cc1nn(c(N)c1S(=O)C(F)(F)F)c2c(cc(cc2Cl)C(F)(F)F)Cl    4.000
*120137-90-8 N#Cc1cc(cnc1(NCC))c2ccncc2    2.330
*120137-95-3 N#Cc1cc(cnc1N2CCCC2)c3ccncc3    2.950
*120137-97-5 N#Cc1cc(cnc1(NCCCOC))c2ccncc2    2.030
*120182-07-2 n1ccccc1N2CCN(CC2)CC3OC(=NC3)N    0.480
*120182-09-4 N1=C(OC(C1)CN3CCN(c2cccc(c2)Cl)CC3)N    1.830
*120182-18-5 N1=C(OC(C1)CN3CCN(c2cccc(c2C)C)CC3)N    2.190
*120182-20-9 n1cccnc1N2CCN(CC2)CC3OC(=NC3)N    0.210
*120277-90-9 OC(Cn1cncc1)CN2C3CCCCC23    1.070
*120277-94-3 OC(Cn1cncc1)CN2C3CCCC(C)C23    1.550
*120277-97-6 OC(Cn1cncc1)CN2C3COCCC23    0.070
*120282-85-1 O=C(OC(C(=O)NC23(CC1CC(CC(C1)C2)C3))c4ccccc4)CC    3.720
*120309-36-6 O=C(Nc1cc(ccc1(OCCCC))[N+](=O)[O-])C    2.260
*120309-46-8 O=C(NCCC)c1ccc[nH]1    1.250
*120503-37-9 OCC3OC(n2cnc1c2(ncnc1I))CC3    0.530
*121107-43-5 c1cc(cc(c1Cc2ccc(c(c2Cl)C)Cl)Cl)Cl    7.200
*121107-44-6 c1cc(cc(c1Cc2cc(c(cc2Cl)Cl)C)Cl)Cl    7.430
*121107-47-9 c1cc(c(c(c1)Cl)Cc2ccc(c(c2Cl)C)Cl)Cl    7.200
*121107-48-0 c1cc(c(c(c1)Cl)Cc2cc(c(cc2Cl)Cl)C)Cl    6.730
*121107-55-9 c1cc(c(cc1Cl)Cc2cc(c(cc2Cl)C)Cl)Cl    7.480
*121107-83-3 c1cc(c(c(c1)Cl)Cc2cc(c(cc2C)Cl)Cl)Cl    7.150
*121353-89-7 O=C1NC(=O)N(C=C1C)C2OC(CO)CC2(F)   -0.440
*121588-32-7 N#Cc2cc3ccccc3(nc2(Nc1c(cc(cc1C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]))    3.880
*121822-77-3 O=C(NS(=O)(=O)Cc1ccccc1)N(C)C    0.540
*121822-80-8 O=C(NC)N(C)S(=O)(=O)c1cnccc1    0.420
*122224-99-1 O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(CC(=O)N2CCOCC2)Cc3ccccc3)Cc4n[nH]cc4)CC5CCCCC5    2.490
*122568-03-0 O=C1NC(C(=CN1C2OC(CO)CC2)C)=S    0.440
*122970-35-8 OCC3OC(n2cnc1c2(nc(nc1Cl)N))CC3    0.210
*124424-25-5 O=C1C=CN(C(=O)N1)C2OC(CO)CC2(F)   -0.870
*124497-73-0 OC1(OC(C)CN(C)C1)(c2ccccc2)    1.790
*124700-70-5 O=C1C=CN=C(N1)SC    0.220
*124725-22-0 O=C(NCC)c1cccn1C    1.090
*124802-88-6 O=C(O)CCSC1=NS(=O)(=O)c2ccccc2(N1)    0.660
*124850-88-0 O=C(O)CCSC1=NS(=O)(=O)c2ccc(cc2(N1))C(F)(F)F    1.960
*124897-29-6 O=C(OCOC(=O)C)C1=CN(c2nc(ccc2(C1(=O)))C)CC    1.210
*124897-30-9 O=C(OCOC(=O)CC)C1=CN(c2nc(ccc2(C1(=O)))C)CC    1.700
*125111-05-9 O=C1NC(=O)N(C=C1(F))c2ccc(cc2Cl)Cl    1.960
*125116-23-6 OC3(Cn1ncnc1)(C(Cc2ccc(cc2)Cl)CCC3(C)(C))    3.930
*125225-28-7 OC3(Cn1ncnc1)(C(Cc2ccc(cc2)Cl)CCC3(C(C)C))    4.210
*125476-98-4 O=C(c1ccccc1C)CCN2CCCCC2    3.540
*125603-72-7 O=C(OCc1ccccc1)C3C(C=C2C(=O)SCC2)C3(C)(C)    4.020
*127836-03-7 O=C(Nc1cc(c(F)c(c1(F))Cl)Cl)C    2.900
*127944-50-7 O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(NC(=O)N(C)CC(O)CO)Cc2ccc(OC)cc2)Cc3nc[nH]c3)CC4CCCCC4    1.420
*127944-52-9 O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(NC(=O)N(C)CCOCOC)Cc2ccc(OC)cc2)Cc3nc[nH]c3)CC4CCCCC4    2.300
*127944-54-1 O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(NC(=O)N(C)CCOCOCCOC)Cc2ccc(OC)cc2)Cc3nc[nH]c3)CC4CCCCC4    2.030
*128348-32-3 O=S(=O)(N)c1cc(cs1)S(=O)(=O)c2ccc(cc2)C    1.630
*128348-34-5 O=S(=O)(N)c1occ(c1)S(=O)(=O)c2ccc(cc2)C    1.490
*128348-43-6 O=S(=O)(N)c1cc(cs1)S(=O)(=O)c2cccc(O)c2    1.400
*128639-02-1 O=C(OCC)C(Cc1cc(c(F)cc1Cl)N2N=C(N(C2(=O))C(F)F)C)Cl    3.360
*128887-24-1 N#Cc1cc(cnc1(OCC))c2ccncc2    2.590
*129016-38-2 O=C1C=CC(O)=NN1   -0.900
*129309-69-9 O=C(O)COc1ccc(c(c1)Br)Cl    2.750
*130292-50-1 N1=C(OC(C1)COc2cccc(c2)N(C)C)N    1.400
*130292-52-3 N1=C(OC(C1)COc2ccc(cc2)N3CCOCC3)N    0.600
*130787-09-6 O=C(Nc1ccc2nn(nc2(c1))C3CCCC3)C(Cl)(Cl)Cl    4.120
*130817-95-7 O=C(OCC(C)C)n1cnc(c1)CC(NC(=O)C2NC(=O)CC2)C(=O)N3CCCC3(C(=O)N)   -0.440
*130817-96-8 O=C(OCCCCCC)n1cnc(c1)CC(NC(=O)C2NC(=O)CC2)C(=O)N3CCCC3(C(=O)N)    0.710
*130817-97-9 O=C(OCCCCCCCC)n1cnc(c1)CC(NC(=O)C2NC(=O)CC2)C(=O)N3CCCC3(C(=O)N)    1.820
*130817-98-0 O=C(OCC(CC)CCCC)n1cnc(c1)CC(NC(=O)C2NC(=O)CC2)C(=O)N3CCCC3(C(=O)N)    1.820
*130892-67-0 O(c1cc(c(cc1Cl)Cl)Cl)c2c(cccc2Cl)Cl    5.980
*131229-38-4 O=C1c3ccccc3(N=C2N1CN(CC)C2C)    1.020
*131229-41-9 O=C1c3ccccc3(N=C2N1CN(CCO)C2C)    0.460
*131229-46-4 O=C1c4ccccc4(N=C3N1CN(c2ccc(cc2)C)C3C)    2.160
*131802-71-6 O=C(N)C(O)(c1ccccc1)CC    1.200
*131860-33-8 N#Cc3ccccc3(Oc2ncnc(Oc1ccccc1C(=COC)C(=O)OC)c2)    2.500
*132133-10-9 N#Cc2cc(C#N)c(nc2(Nc1c(cc(cc1C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]))C    2.800
*132194-23-1 OCC3OC(n2cnc1c2(nc(nc1I)N))CC3    0.520
*132194-25-3 OCC3OC(n2cnc1c2(ncnc1Br))CC3    0.350
*132296-18-5 Oc1cc(ccc1C2CCCC(O)C2)C(C)(C)CCC    4.820
*132453-02-2 c1ccc2c(c1)CC3CCCC(C)C23(NCC)    3.800
*132453-38-4 c1ccc2c(c1)C3(NC)(CCCCC3(CS2))    3.880
*132453-63-5 O=C(Nc1nc(cnc1)Cl)C    1.100
*132483-32-0 O=C(O)C(c1ccc(cc1)c2nccs2)C    2.790
*132483-33-1 O=C(O)C(c2ccc(c1nccs1)c(c2)Cl)C    3.390
*132483-39-7 O=C(O)C(c2ccc(c1nccs1)c(c2)C(F)(F)F)C    3.060
*132483-42-2 O=C(O)C(c1ccc(cc1)c2nc(cs2)C)C    3.030
*132483-44-4 O=C(O)C(c1ccc(cc1)c2nc(C=C)cs2)C    3.620
*132483-45-5 O=C(O)C(c1ccc(cc1)c2nc(cs2)C(F)(F)F)C    3.780
*132483-47-7 O=C(O)C(c1ccc(cc1)c2nc(cs2)CC)C    3.750
*132483-50-2 O=C(O)C(c1ccc(cc1)c2nc(cs2)C(=O)N)C    2.170
*132483-52-4 O=C(O)C(c1ccc(cc1)c2nc(cs2)C(=O)N(C)C)C    2.150
*132483-57-9 O=C(O)C(c1ccc(c(OC)c1)c2nccs2)C    2.470
*132483-58-0 O=C(O)C(c2ccc(c1nccs1)c(c2)SC)C    3.020
*132483-59-1 O=C(O)C(c1ccc(c(c1)[N+](=O)[O-])c2nccs2)C    2.060
*132483-60-4 O=C(O)C(c1ccc(c(N)c1)c2nccs2)C    2.450
*132786-14-2 N1=C(OC(C1)CN3CCN(c2ccc(OC)cc2)CC3)N    0.680
*132911-42-3 O=C(NC)c1ccc[nH]1    0.420
*134917-53-6 O=C(O)CCSC1=NS(=O)(=O)c2cc(cc(c2(N1))Cl)Cl    1.790
*135832-43-8 O=C(OC)c1cc(ccc1S(=O)(=O)CCO)S(=O)(=O)N   -0.470
*135832-45-0 O=S(=O)(N)c1ccc(c(N)c1)S(=O)(=O)CCO   -0.600
*136309-10-9 O=C(OCC)c1nc(cnc1)N(C)C    1.240
*136309-12-1 O=C(Nc1ncc(nc1)Cl)C    0.560
*136389-76-9 O=[N+]([O-])c3c(nn(c1ccccc1)c3(Nc2ccc(cc2)C))C    3.430
*136389-77-0 O=[N+]([O-])c3c(nn(c1ccccc1)c3(Nc2cccc(c2)C))C    3.250
*136389-80-5 O=[N+]([O-])c1ccc(cc1)Nc3c(c(nn3(c2ccccc2))C)[N+](=O)[O-]    2.780
*136944-22-4 O=C(C=Cc1ccc(O)c(O)c1)Nc2ccc(OC)c(OC)c2    2.300
*137302-31-9 O=C(NC(C(=O)NC(COC(F)(F)C(=O)NCCN1CCOCC1)CC2CCCCC2)CC=C)C(NS(=O)(=O)N3CCOCC3)Cc4ccccc4    3.170
*137302-63-7 O=C(NC(C(=O)C(F)(F)C(=O)NCCN1CCOCC1)CC2CCCCC2)C(NC(=O)C(NS(=O)(=O)N3CCOCC3)Cc4ccc(OC)cc4)CC=C    2.730
*138324-57-9 O=C(NCC)c1ccccc1(OCC)    2.400
*138568-65-7 O=C(O)C(c1ccc(cc1)c2nc(cs2)CO)C    2.250
*138568-67-9 O=C(O)C(c1ccc(cc1)c2ncc(CC)s2)C    3.720
*138568-70-4 O=C(O)C(c1ccc(c(F)c1)c2nc(cs2)C)C    3.520
*138568-76-0 O=C(O)C(c1ccc(c(F)c1)c2nc(c(C)s2)C)C    3.740
*138568-77-1 O=C(O)C(c1ccc(c(F)c1)c2nc(c(C)s2)CC)C    4.440
*138568-78-2 O=C(O)C(c2ccc(c1nc(cs1)C)c(c2)Cl)C    3.650
*138568-82-8 O=C(O)C(c2ccc(c1ncc(C)s1)c(c2)Cl)C    3.660
*138568-83-9 O=C(O)C(c2ccc(c1ncc(CC)s1)c(c2)Cl)C    4.390
*138848-11-0 O=C2N=C(N=CN1CCOCC1)C=CN2C3OC(CO)C(O)C3   -1.540
*138848-12-1 O=C2N=C(N=CN1CCCC1)C=CN2C3OC(CO)C(O)C3   -1.020
*139326-34-4 O=C(OC(C)C)CSc1ccc(cc1)[N+](=O)[O-]    2.790
*139326-39-9 O=C(OC(C)C)CS(=O)c1ccc(cc1)[N+](=O)[O-]    1.640
*139326-48-0 O=C(OC(C)C)CS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]    1.800
*139359-11-8 O=C(OC(C)C)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]    2.810
*139733-95-2 O=C(NCc1ccccc1)COc3ccc(OCCNCC(O)COc2ccccc2)cc3    3.200
*139734-21-7 O=C(N1CCCCC1)COc3ccc(OCCNCC(O)COc2ccccc2)cc3    2.600
*140706-47-4 O=C(Nc1nonc1(N))C   -0.230
*141018-17-9 O=C2N=C(N=CN1CCOCC1)C=CN2C3OC(CO)CC3   -0.970
*141018-23-7 O=C2N=C(N=CN1CCOCC1)C=CN2C3OC(CO)C(F)C3   -0.680
*141043-80-3 O=C1N=C(N=CN(C(C)C)C(C)C)C=CN1C2OC(CO)CC2    0.720
*142312-63-8 O=C(Nc1ccc2nn(nc2(c1))C)CCl    1.220
*142312-66-1 O=C(Nc1ccc2nn(nc2(c1))C)c3ccc(cc3)Cl    3.130
*142472-21-7 O=C(NCC)c1cocc1    0.720
*142708-13-2 O=C(NC(CC1CCCCC1)C(O)CC(C(=O)NCCCNc2nc(n[nH]2)N)C(C)C)C(OC(C(=O)N3CCC(OCOC)CC3)Cc4ccccc4)CCCC    4.300
*142978-29-8 O=[N+]([O-])c2cnc(Nc1c(cc(cc1Cl)[N+](=O)[O-])[N+](=O)[O-])c(c2)Cl    2.600
*142978-30-1 O=[N+]([O-])c2cc(c(Nc1ncc(cc1Cl)C(F)(F)F)c(c2)Cl)[N+](=O)[O-]    3.740
*143121-07-7 O=C(Oc1cc(OCC#C)c(cc1Cl)Cl)N(CC)CC    3.950
*143121-08-8 O=C(Oc1cc(O)c(cc1Cl)Cl)N2CCCC2    2.980
*143121-10-2 O=C(Oc1cc(OCC#C)c(cc1Cl)Cl)N2CCC(F)(F)C2    3.420
*143359-96-0 O=C(Nc2ccccc2(Oc1ccccc1))C    2.370
*143360-00-3 O=C(Nc1ccc(cc1C)CCCC)C    3.100
*143360-01-4 O=C(Nc1ccc(cc1(OC))Br)C    2.020
*143360-02-5 O=C(Nc1ccc(c(c1)C)CCCC)C    3.640
*143360-03-6 O=C(Nc1ccc(OC)c(c1)CCC)C    2.720
*143360-08-1 O=C(Nc1cc(cc(c1Cl)C(F)(F)F)Cl)C    3.270
*143360-10-5 O=C(Nc1cc(cc(c1Br)C(F)(F)F)Cl)C    3.260
*143360-15-0 O=C(Nc1cc(c(F)cc1(F))C(F)(F)F)C    2.340
*143360-16-1 O=C(Nc1cc(c(cc1(F))Cl)C(F)(F)F)C    3.020
*143360-17-2 O=C(Nc1cc(OCC=C)c(cc1(F))Cl)C    2.760
*143360-18-3 O=C(Nc1cc(c(cc1(F))Br)C(F)(F)F)C    3.170
*143360-19-4 O=C(Nc1cc(c(cc1Cl)Cl)C(F)(F)F)C    3.240
*143390-89-0 O=C(OC)C(=NOC)c1ccccc1COc2ccccc2C    3.400
*143502-46-9 O=C(OCC)C(Oc2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-])C    4.530
*143509-51-7 O=S(=O)(N)c1cc(cs1)S(=O)(=O)c2ccc(cc2)CN3CCOCC3    0.980
*144106-11-6 O=C(OC(COc1ccccc1(OCC=C))CNC(C)C)CCC    3.950
*144106-14-9 O=C(OC(COc1ccccc1(OCC=C))CNC(C)C)C(C)C    3.770
*144881-35-6 N1=C(OC(C1)CN3CCN(c2ccc(cc2)Cl)CC3)N    1.710
*144881-42-5 N1=C(OC(C1)CN3CCN(c2ccccc2Cl)CC3)N    1.870
*145253-87-8 O=C(NCCN2CCN(c1ccccc1(OC))CC2)c3ccc[nH]3    1.600
*145348-19-2 O=C(OC)C1(CC1)S(=O)(=O)c2ccc(cc2)C    1.770
*145348-23-8 O=C(OC(C)C)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl    2.640
*145348-25-0 O=C(OC)C1(CC1)S(=O)(=O)c2ccc(cc2)Br    2.320
*145348-26-1 O=C(OC)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]    1.330
*145348-27-2 O=C(OC(C)C)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]    2.050
*145409-22-9 O=S(c1nonc1C)c2ccccc2    1.760
*145409-24-1 [O-][n+]1onc(c1Cc2ccccc2)C    2.220
*146252-77-9 C1=C(CCC)SSC1=S    2.830
*147064-42-4 O(c1ccc2c(c1)C3(NC)(CCCCC3(C2)))C    3.540
*147064-47-9 c1ccc2c(c1)CC3(NC)(CC=CCC23)    3.280
*147085-68-5 c1ccc2c(c1)CC3CCCCC23(NC)    3.380
*147085-73-2 c1ccc2c(c1)CC3CCCCCC23(NC)    3.770
*147085-78-7 O(c1ccc2c(c1)CC3CCCCC23(NC))C    3.510
*147102-63-4 O(c1ccc(cc1Cl)Cl)c2cccc(c2Cl)Cl    5.880
*148727-67-7 NC23(c1ccccc1C(C)CC3(CC=CC2))    3.400
*149151-30-4 O=C(OC)n2cc(c1ccccc12)CC(NC(=O)CC3NC(=O)C5N(C3(=O))C4CCC5(CC4))C(=O)NC(C(=O)N(C)Cc6ccccc6)Cc7ccccc7    4.050
*149151-32-6 O=C(OC(C)(C)C)n2cc(c1ccccc12)CC(NC(=O)CC3NC(=O)C5N(C3(=O))C4CCC5(CC4))C(=O)NC(C(=O)N(C)Cc6ccccc6)Cc7ccccc7    5.330
*149589-40-2 O=C(c2cccc(Oc1ccccc1)c2)N(C)CCC    3.440
*149589-41-3 O=C(c2cccc(Oc1ccccc1)c2)N(C)CCCC    3.890
*149589-42-4 O=C(c2cccc(Oc1ccccc1)c2)N(C)CCCCC    4.430
*149589-43-5 O=C(c2cccc(Oc1ccccc1)c2)N(C)CCCCCC    5.010
*150079-41-7 O=C(NCC)c1ccsc1    1.180
*150224-24-1 c2cc(c1c(cc(c(c1Cl)Cl)Cl)c2Cl)Cl    6.800
*150900-05-3 O=C2N(OCc1ccc(OC)cc1)C(=O)C3(C2)(CCCC3)    2.230
*150900-10-0 O=C1N(OC)C(=O)C2(C1)(CCCC2)    1.150
*151360-55-3 O=C(Oc1c(cccc1CC)CC)C    3.400
*155999-92-1 O(c1ccc(cc1Cl)Cl)c2cc(ccc2Cl)Cl    5.780
*155999-97-6 O(c1ccc(c(c1)Cl)Cl)c2c(c(cc(c2Cl)Cl)Cl)Cl    6.780
*156242-70-5 n1c(nc(nc1C)C(Cl)(Cl)Cl)NCc2ccccc2    3.860
*156741-79-6 O=C(NCCC)c1cocc1    1.200
*156741-80-9 O=C(NCC)c1ccc[nH]1    0.800
*156741-81-0 O=C(NCCC)c1cccn1C    1.630
*157683-71-1 O(c1ccc(cc1)Cl)c2cccc(c2Cl)Cl    5.630
*157683-73-3 O(c1ccc(cc1Cl)Cl)c2cc(cc(c2Cl)Cl)Cl    6.540
*159553-69-2 O(c1ccc(c(c1)Cl)Cl)c2c(ccc(c2Cl)Cl)Cl    6.310
*160282-04-2 O(c1cc(cc(c1)Cl)Cl)c2cc(c(cc2Cl)Cl)Cl    6.660
*160282-05-3 O(c1ccc(cc1)Cl)c2c(cc(c(c2Cl)Cl)Cl)Cl    6.470
*160282-10-0 O(c1cccc(c1Cl)Cl)c2ccc(c(c2Cl)Cl)Cl    6.300
*160790-03-4 O=C(OC(C)C)C1(CCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]    2.360
*160790-08-9 O=C(OC)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)Br    2.940
*160790-09-0 O=C(OC)C1(CCC1)S(=O)(=O)c2ccc(cc2)Cl    2.280
*160790-19-2 O=C(OC)C1(CCCCC1)S(=O)(=O)c2ccccc2    2.300
*161316-24-1 O=C(NC(CC1CCCCC1)C(O)CC(C(=O)NCCNc2noc(n2)N)C(C)C)C(OC(C(=O)N3CCC(OCOC)CC3)Cc4ccccc4)CCCC    4.500
*161316-36-5 O=C(NC(CC1CCCCC1)C(O)CC(C(=O)NCCNc2nc(n[nH]2)N)C(C)C)C(OC(C(=O)N3CCC(OCOC)CC3)Cc4ccccc4)CCCC    4.000
*162853-26-1 O(c1ccccc1Cl)c2cc(c(cc2Cl)Cl)Cl    5.970
*162853-27-2 O(c1ccc(c(c1)Cl)Cl)c2cccc(c2Cl)Cl    5.990
*164584-59-2 C1(=C(CCC)SSC1=S)C    3.420
*164584-61-6 O=C1C=C(CC)SS1    1.690
*164584-62-7 O=C1C=C(CCC)SS1    2.240
*164584-63-8 O=C1C(=C(CC)SS1)CC    2.780
*169137-05-7 N1=C(OC(C1)COc2ccccc2Cl)N    1.770
*169137-06-8 O=[N+]([O-])c2ccc(OCC1OC(=NC1)N)cc2    1.170
*169137-08-0 N1=C(OC(C1)COc2ccccc2(OCC))N    1.240
*169137-09-1 N1=C(OC(C1)COc2ccccc2(OC))N    0.850
*174655-01-7 n1cc(c(c2c1nc(nc2(N))N)C)CNc3cc(ccc3C)C    2.290
*175601-23-7 n1cc(c(c2c1nc(nc2(N))N)C)CNc3ccccc3    2.020
*175601-32-8 O=C(c1cccc(c1)NCc3cnc2nc(nc(N)c2c3C)N)C    1.460
*175601-33-9 n1cc(c(c2c1nc(nc2(N))N)C)CNc3ccccc3C    1.980
*184951-42-6 O(c1ccccc1N3CCN(CCNC(C2CCCCC2)=S)CC3)C    3.700
*185391-33-7 O=C(NCc1ccc(F)cc1)C(=O)c3c[nH]c2ccccc23    2.880
*204708-08-7 O=C(C=Cc1cccc(c1)Cl)C(F)(F)F    3.580
*204708-09-8 O=C(C=Cc1ccc(cc1)Cl)C(F)(F)F    3.630
*204708-11-2 O=C(C=Cc1cccc(OC)c1)C(F)(F)F    3.050
*204708-12-3 O=C(C=Cc1cccc(c1)[N+](=O)[O-])C(F)(F)F    2.660
*212485-59-1 O=C(c1ccc(cc1)C)N(N=CC)c2ccccc2    3.600
*212485-70-6 O=C(c1ccc(cc1)C)N(NC(Nc2ccccc2)=S)c3ccccc3    4.080
*212485-74-0 O=C(c1ccc(cc1)[N+](=O)[O-])N(NC(Nc2ccccc2)=S)c3ccccc3    3.870
*212485-89-7 O=C(c1ccc(cc1)[N+](=O)[O-])N(NC(Nc2ccccc2)=S)C    2.680
*3511-16-8 O=C(O)C4N3C(=O)C(N1C(=O)C(NC1(C)C)c2ccccc2)C3SC4(C)(C)    0.950
