50-00-0 O=C~    0.350
50-02-2 O=C1C=CC3(C(=C1)CCC2C4CC(C)C(O)(C(=O)CO)C4(C)(CC(O)C23(F)))(C)~    1.890
50-03-3 O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))C~    2.190
50-06-6 O=C2NC(=O)C(c1ccccc1)(C(=O)N2)CC~    1.470
50-07-7 O=C(OCC4C=1C(=O)C(N)=C(C(=O)C=1N3CC2NC2C34(OC))C)N~   -0.400
50-11-3 O=C1NC(=O)C(C(=O)N1C)(CC)CC~    1.150
50-18-0 O=P1(OCCCN1)N(CCCl)CCCl~    0.630
50-22-6 O=C3C=C2CCC1C4CCC(C(=O)CO)C4(C)(CC(O)C1C2(C)CC3)~    1.940
50-23-7 O=C3C=C2CCC1C4CCC(O)(C(=O)CO)C4(C)(CC(O)C1C2(C)CC3)~    1.610
50-24-8 O=C1C=CC3(C(=C1)CCC2C4CCC(O)(C(=O)CO)C4(C)(CC(O)C23))(C)~    1.620
50-28-2 Oc1ccc2c(c1)CCC3C2CCC4(C)(C(O)CCC34)~    4.010
50-29-3 c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl~    6.910
50-32-8 c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45~    6.130
50-36-2 O=C(OC2CC1N(C)C(CC1)C2(C(=O)OC))c3ccccc3~    2.300
50-47-5 c1ccc3c(c1)N(c2ccccc2CC3)CCCNC~    4.900
50-52-2 c1ccc3c(c1)N(c2cc(ccc2S3)SC)CCC4N(C)CCCC4~    5.900
50-67-9 Oc1ccc2[nH]cc(c2(c1))CCN~    0.210
50-70-4 OCC(O)C(O)C(O)C(O)CO~   -2.720
50-71-5 O=C1NC(=O)C(=O)C(=O)N1~   -1.840
50-78-2 O=C(O)c1ccccc1(OC(=O)C)~    1.190
50-85-1 O=C(O)c1ccc(cc1(O))C~    2.990
50-86-2 O=C(O)c1ccc(cc1(O))NC(=O)C~    1.620
51-03-6 O1c2cc(c(cc2(OC1))CCC)COCCOCCOCCCC~    4.750
51-06-9 O=C(NCCN(CC)CC)c1ccc(N)cc1~    0.880
51-12-7 O=C(NNCCC(=O)NCc1ccccc1)c2ccncc2~    0.870
51-28-5 O=[N+]([O-])c1ccc(O)c(c1)[N+](=O)[O-]~    1.670
51-34-3 O=C(OC1CC3N(C)C(C1)C2OC23)C(c4ccccc4)CO~    0.980
51-35-4 O=C(O)C1NCC(O)C1~   -3.170
51-41-2 Oc1ccc(cc1(O))C(O)CN~   -1.240
51-43-4 Oc1ccc(cc1(O))C(O)CNC~   -1.370
51-44-5 O=C(O)c1ccc(c(c1)Cl)Cl~    3.250
51-45-6 n1c[nH]cc1CCN~   -0.700
51-55-8 O=C(OC2CC1N(C)C(CC1)C2)C(c3ccccc3)CO~    1.830
51-61-6 Oc1ccc(cc1(O))CCN~   -0.980
51-66-1 O=C(Nc1ccc(OC)cc1)C~    1.030
51-75-2 N(C)(CCCl)CCCl~    0.910
52-01-7 O=C1OC3(CC1)(CCC2C5C(CCC23(C))C4(C(=CC(=O)CC4)CC5SC(=O)C)(C))~    2.520
52-31-3 O=C1NC(=O)C(C(=O)N1)(C2=CCCCC2)CC~    1.770
52-43-7 O=C1NC(=O)C(C(=O)N1)(CC=C)CC=C~    1.150
52-44-8 O=C1NC(=O)C2(C(=O)N1)(CCCCC2)~    0.910
52-45-9 O=C1NC(NC(=O)C12(CCCCC2))=S~    1.780
52-52-8 O=C(O)C1(N)(CCCC1)~   -2.280
52-53-9 N#CC(c1ccc(OC)c(OC)c1)(CCCN(C)CCc2ccc(OC)c(OC)c2)C(C)C~    3.790
52-68-6 O=P(OC)(OC)C(O)C(Cl)(Cl)Cl~    0.510
52-85-7 O=S(=O)(c1ccc(OP(OC)(OC)=S)cc1)N(C)C~    2.230
52-86-8 O=C(c1ccc(F)cc1)CCCN3CCC(O)(c2ccc(cc2)Cl)CC3~    4.300
52-90-4 O=C(O)C(N)CS~   -2.490
53-03-2 O=C1C=CC4(C(=C1)CCC3C4(C(=O)CC2(C)(C3(CCC2(O)(C(=O)CO)))))(C)~    1.460
53-06-5 O=C4C=C3CCC2C(C(=O)CC1(C)(C2(CCC1(O)(C(=O)CO))))C3(C)CC4~    1.470
53-43-0 O=C2CCC3C4CC=C1CC(O)CCC1(C)C4(CCC23(C))~    3.230
53-70-3 c1ccc5c(c1)ccc4cc3c(ccc2ccccc23)cc45~    6.750
53-86-1 O=C(O)Cc3c1cc(OC)ccc1n(C(=O)c2ccc(cc2)Cl)c3C~    4.270
54-04-6 O(c1cc(cc(OC)c1(OC))CCN)C~    0.780
54-05-7 n1ccc(NC(C)CCCN(CC)CC)c2ccc(cc12)Cl~    4.630
54-11-5 n1cccc(c1)C2N(C)CCC2~    1.170
54-12-6 O=C(O)C(N)Cc2c[nH]c1ccccc12~   -1.060
54-31-9 O=C(O)c2cc(c(cc2(NCc1occc1))Cl)S(=O)(=O)N~    2.030
54-49-9 Oc1cccc(c1)C(O)C(N)C~   -0.270
54-80-8 OC(c1ccc2ccccc2(c1))CNC(C)C~    3.000
54-85-3 O=C(NN)c1ccncc1~   -0.700
54-92-2 O=C(NNC(C)C)c1ccncc1~    0.370
55-18-5 O=NN(CC)CC~    0.480
55-21-0 O=C(N)c1ccccc1~    0.640
55-38-9 O(c1ccc(c(c1)C)SC)P(OC)(OC)=S~    4.090
55-63-0 O=[N+]([O-])OCC(O[N+](=O)[O-])CO[N+](=O)[O-]~    1.620
56-12-2 O=C(O)CCCN~   -3.170
56-29-1 O=C1NC(=O)C(C(=O)N1C)(C2=CCCCC2)C~    1.980
56-38-2 O=[N+]([O-])c1ccc(OP(OCC)(OCC)=S)cc1~    3.830
56-40-6 O=C(O)CN~   -3.210
56-41-7 O=C(O)C(N)C~   -2.910
56-47-3 O=C(OCC(=O)C2CCC3C4CCC1=CC(=O)CCC1(C)C4(CCC23(C)))C~    3.080
56-49-5 c1ccc5c(c1)ccc3c5(cc2ccc(c4c2c3CC4)C)~    6.420
56-53-1 Oc1ccc(cc1)C(=C(c2ccc(O)cc2)CC)CC~    5.070
56-54-2 OC(c2ccnc1ccc(OC)cc12)C3N4CCC(C3)C(C=C)C4~    3.440
56-55-3 c3ccc4cc2c(ccc1ccccc12)cc4(c3)~    5.760
56-72-4 O=C2Oc1cc(OP(OCC)(OCC)=S)ccc1C(=C2Cl)C~    4.130
56-75-7 O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Cl)Cl~    1.140
56-81-5 OCC(O)CO~   -1.760
56-84-8 O=C(O)CC(N)C(=O)O~   -3.890
56-85-9 O=C(O)C(N)CCC(=O)N~   -3.640
56-86-0 O=C(O)CCC(N)C(=O)O~   -3.690
56-87-1 O=C(O)C(N)CCCCN~   -3.050
56-89-3 O=C(O)C(N)CSSCC(N)C(=O)O~   -5.080
57-10-3 O=C(O)CCCCCCCCCCCCCCC~    7.170
57-11-4 O=C(O)CCCCCCCCCCCCCCCCC~    8.230
57-13-6 O=C(N)N~   -2.110
57-15-8 OC(C)(C)C(Cl)(Cl)Cl~    2.030
57-27-2 Oc5ccc4c1c5(OC2C(O)C=CC3C(N(C)CCC123)C4)~    0.890
57-43-2 O=C1NC(=O)C(C(=O)N1)(CC)CCC(C)C~    2.070
57-44-3 O=C1NC(=O)C(C(=O)N1)(CC)CC~    0.650
57-47-6 O=C(Oc1ccc2c(c1)C3(C)(CCN(C)C3(N2C)))NC~    1.580
57-50-1 OCC2OC(OC1(OC(CO)C(O)C1(O))(CO))C(O)C(O)C2(O)~   -3.700
57-53-4 O=C(OCC(C)(COC(=O)N)CCC)N~    0.700
57-55-6 OCC(O)C~   -0.920
57-63-6 C#CC3(O)(CCC2C4CCc1cc(O)ccc1C4(CCC23(C)))~    3.670
57-66-9 O=C(O)c1ccc(cc1)S(=O)(=O)N(CCC)CCC~    3.210
57-68-1 O=S(=O)(Nc1nc(cc(n1)C)C)c2ccc(N)cc2~    0.890
57-74-9 C2(=C(C3(C1C(CC(C1Cl)Cl)C2(C3(Cl)Cl)Cl)Cl)Cl)Cl~    6.160
57-83-0 O=C4C=C3CCC1C(CCC2(C)(C(C(=O)C)CCC12))C3(C)CC4~    3.870
57-96-5 O=C3N(c1ccccc1)N(c2ccccc2)C(=O)C3CCS(=O)c4ccccc4~    2.300
57-97-6 c1ccc2c(c1)ccc4c2c(c3ccccc3c4C)C~    5.800
58-18-4 O=C4C=C3CCC2C(CCC1(C)(C2(CCC1(O)(C))))C3(C)CC4~    3.360
58-27-5 O=C1C=C(C(=O)c2ccccc12)C~    2.200
58-37-7 c1ccc3c(c1)N(c2ccccc2S3)CC(N(C)C)CN(C)C~    4.760
58-39-9 OCCN1CCN(CC1)CCCN4c2ccccc2Sc3ccc(cc34)Cl~    4.200
58-55-9 O=C2c1[nH]cnc1N(C(=O)N2C)C~   -0.030
58-73-1 O(CCN(C)C)C(c1ccccc1)c2ccccc2~    3.270
58-74-2 n2ccc1cc(OC)c(OC)cc1c2Cc3ccc(OC)c(OC)c3~    2.950
58-89-9 C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl~    3.860
59-05-2 O=C(O)CCC(NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)nc(nc3(N))N)C(=O)O~   -1.850
59-14-3 O=C1NC(=O)N(C=C1Br)C2OC(CO)C(O)C2~   -0.290
59-26-7 O=C(c1cnccc1)N(CC)CC~    0.330
59-42-7 Oc1cccc(c1)C(O)CNC~   -0.310
59-50-7 Oc1ccc(c(c1)C)Cl~    3.100
59-61-0 OC(c1ccc(c(c1)Cl)Cl)CNC(C)C~    3.320
59-66-5 O=C(Nc1nnc(s1)S(=O)(=O)N)C~   -0.260
59-67-6 O=C(O)c1cnccc1~    0.360
59-87-0 O=C(N)NN=Cc1oc(cc1)[N+](=O)[O-]~    0.230
59-92-7 O=C(O)C(N)Cc1ccc(O)c(O)c1~   -2.570
59-98-3 N1=C(NCC1)Cc2ccccc2~    2.650
60-09-3 N(=Nc1ccc(N)cc1)c2ccccc2~    3.410
60-11-7 N(=Nc1ccc(cc1)N(C)C)c2ccccc2~    4.580
60-12-8 OCCc1ccccc1~    1.360
60-17-3 O=C(O)C(N)Cc1ccc(F)cc1~   -1.890
60-18-4 O=C(O)C(N)Cc1ccc(O)cc1~   -2.150
60-29-7 O(CC)CC~    0.890
60-32-2 O=C(O)CCCCCN~   -2.950
60-33-3 O=C(O)CCCCCCCC=CCC=CCCCCC~    7.050
60-35-5 O=C(N)C~   -1.260
60-51-5 O=C(NC)CSP(OC)(OC)=S~    0.780
60-80-0 O=C1C=C(N(N1c2ccccc2)C)C~    0.380
60-87-7 c1ccc3c(c1)N(c2ccccc2S3)CC(N(C)C)C~    4.810
60-92-4 O=P3(O)(OCC4OC(n2cnc1c(ncnc12)N)C(O)C4(O3))~   -2.960
61-01-8 O(c1ccc3c(c1)N(c2ccccc2S3)CCCN(C)C)C~    4.900
61-33-6 O=C(O)C3N2C(=O)C(NC(=O)Cc1ccccc1)C2SC3(C)(C)~    1.830
61-57-4 O=C1NCCN1c2ncc([N+](=O)[O-])s2~    0.950
61-68-7 O=C(O)c2ccccc2(Nc1cccc(c1C)C)~    5.120
61-72-3 O=C(O)C4N3C(=O)C(NC(=O)c1c(noc1C)c2ccccc2Cl)C3SC4(C)(C)~    2.480
61-78-9 O=C(O)CNC(=O)c1ccc(N)cc1~   -0.890
61-82-5 n1c[nH]nc1N~   -0.860
61-90-5 O=C(O)C(N)CC(C)C~   -1.520
62-23-7 O=C(O)c1ccc(cc1)[N+](=O)[O-]~    1.890
62-37-3 O=C(N)NCC(OC)C[Hg]Cl~   -0.800
62-38-4 O=C(O[Hg]c1ccccc1)C~    0.710
62-56-6 NC(N)=S~   -1.080
63-05-8 O=C3C=C2CCC1C4CCC(=O)C4(C)(CCC1C2(C)CC3)~    2.750
63-68-3 O=C(O)C(N)CCSC~   -1.870
63-74-1 O=S(=O)(N)c1ccc(N)cc1~   -0.620
63-75-2 O=C(OC)C1=CCCN(C)C1~    0.350
63-91-2 O=C(O)C(N)Cc1ccccc1~   -1.410
63-99-0 O=C(N)Nc1cccc(c1)C~    1.290
64-00-6 O=C(Oc1cccc(c1)C(C)C)NC~    2.630
64-04-0 NCCc1ccccc1~    1.410
64-10-8 O=C(N)Nc1ccccc1~    0.830
64-17-5 OCC~   -0.310
64-18-6 O=CO~   -0.540
64-77-7 O=C(NCCCC)NS(=O)(=O)c1ccc(cc1)C~    2.340
64-85-7 O=C4C=C3CCC1C(CCC2(C)(C(C(=O)CO)CCC12))C3(C)CC4~    2.880
64-86-8 O=C1C=C3C(=CC=C1(OC))c2c(OC)c(OC)c(OC)cc2CCC3(NC(=O)C)~    1.300
65-23-6 Oc1c(ncc(c1CO)CO)C~   -0.770
65-46-3 O=C1N=C(N)C=CN1C2OC(CO)C(O)C2(O)~   -2.510
65-49-6 O=C(O)c1ccc(N)cc1(O)~    0.890
65-85-0 O=C(O)c1ccccc1~    1.870
66-25-1 O=CCCCCC~    1.780
66-28-4 O=CC45(CCC(O)CC5(O)(CCC2C4(CCC3(C)(C(C1=CC(=O)OC1)CCC23(O)))))~    0.640
66-71-7 n2cccc3ccc1cccnc1c23~    1.780
66-79-5 O=C(O)C4N3C(=O)C(NC(=O)c1c(noc1C)c2ccccc2)C3SC4(C)(C)~    2.380
66-81-9 O=C1NC(=O)CC(C1)CC(O)C2C(=O)C(C)CC(C)C2~    0.550
66-97-7 O=C1Oc2cc3occc3(cc2(C=C1))~    1.670
67-20-9 O=C2NC(=O)CN2(N=Cc1oc(cc1)[N+](=O)[O-])~   -0.470
67-51-6 n1[nH]c(cc1C)C~    1.010
67-56-1 OC~   -0.770
67-64-1 O=C(C)C~   -0.240
67-68-5 O=S(C)C~   -1.350
67-71-0 O=S(=O)(C)C~   -1.410
67-72-1 C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl~    4.140
67-73-2 O=C1C=CC4(C(=C1)C(F)CC3C5CC2OC(OC2(C(=O)CO)C5(C)(CC(O)C34(F)))(C)C)(C)~    2.480
67-78-7 O=C(OCC(=O)C3(O)(C(OC(=O)C)CC2C4CCC1=CC(=O)C=CC1(C)C4(F)(C(O)CC23(C))))C~    1.920
68-12-2 O=CN(C)C~   -1.010
68-22-4 O=C4C=C3CCC2C(CCC1(C)(C2(CCC1(O)(C#C))))C3CC4~    2.970
68-26-8 OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C~    5.680
68-35-9 O=S(=O)(Nc1ncccn1)c2ccc(N)cc2~   -0.090
68-36-0 c1cc(ccc1C(Cl)(Cl)Cl)C(Cl)(Cl)Cl~    4.620
68-96-2 O=C4C=C3CCC2C(CCC1(C)(C2(CCC1(O)(C(=O)C))))C3(C)CC4~    3.170
69-23-8 FC(F)(F)c1ccc3c(c1)N(c2ccccc2S3)CCCN4CCN(CCO)CC4~    4.360
69-33-0 OCC3OC(n2ccc1c(ncnc12)N)C(O)C3(O)~   -0.800
69-53-4 O=C(O)C3N2C(=O)C(NC(=O)C(N)c1ccccc1)C2SC3(C)(C)~    0.110
69-72-7 O=C(O)c1ccccc1(O)~    2.260
70-11-1 O=C(c1ccccc1)CBr~    2.190
70-26-8 O=C(O)C(N)CCCN~   -4.220
70-30-4 Oc1c(cc(c(c1Cc2c(O)c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl~    7.540
70-47-3 O=C(O)C(N)CC(=O)N~   -3.820
70-55-3 O=S(=O)(N)c1ccc(cc1)C~    0.820
70-70-2 O=C(c1ccc(O)cc1)CC~    2.030
71-00-1 O=C(O)C(N)Cc1nc[nH]c1~   -3.320
71-36-3 OCCCC~    0.880
71-55-6 CC(Cl)(Cl)Cl~    2.490
71-63-6 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(CCC67(C)))~    1.850
72-14-0 O=S(=O)(Nc1nccs1)c2ccc(N)cc2~    0.050
72-18-4 O=C(O)C(N)C(C)C~   -2.260
72-19-5 O=C(O)C(N)C(O)C~   -2.940
72-43-5 O(c1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl)C~    5.080
72-54-8 c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)Cl)Cl~    6.020
73-32-5 O=C(O)C(N)C(C)CC~   -1.700
74-11-3 O=C(O)c1ccc(cc1)Cl~    2.650
74-82-8 C~    1.090
74-84-0 CC~    1.810
74-85-1 C=C~    1.130
74-86-2 C#C~    0.370
74-87-3 CCl~    0.910
74-88-4 CI~    1.510
74-89-5 NC~   -0.570
74-90-8 N#C~   -0.250
74-98-6 CCC~    2.360
74-99-7 C#CC~    0.940
75-03-6 CCI~    2.000
75-04-7 NCC~   -0.130
75-05-8 N#CC~   -0.340
75-07-0 O=CC~   -0.340
75-10-5 FCF~    0.200
75-11-6 C(I)I~    2.300
75-12-7 O=CN~   -1.510
75-15-0 C(=S)=S~    1.940
75-19-4 C1CC1~    1.720
75-27-4 C(Cl)(Cl)Br~    2.000
75-28-5 CC(C)C~    2.760
75-30-9 CC(C)I~    2.890
75-34-3 CC(Cl)Cl~    1.790
75-35-4 C=C(Cl)Cl~    2.130
75-37-6 FC(F)C~    0.750
75-43-4 FC(Cl)Cl~    1.550
75-46-7 FC(F)F~    0.640
75-52-5 O=[N+]([O-])C~   -0.350
75-64-9 NC(C)(C)C~    0.400
75-72-9 FC(F)(F)Cl~    1.650
75-74-1 C[Pb](C)(C)C~    2.970
75-76-3 C[Si](C)(C)C~    3.240
75-83-2 CCC(C)(C)C~    3.820
75-84-3 OCC(C)(C)C~    1.310
75-85-4 OC(C)(C)CC~    0.890
75-87-6 O=CC(Cl)(Cl)Cl~    0.990
75-98-9 O=C(O)C(C)(C)C~    1.480
76-01-7 C(C(Cl)(Cl)Cl)(Cl)Cl~    3.220
76-03-9 O=C(O)C(Cl)(Cl)Cl~    1.330
76-13-1 FC(F)(C(F)(Cl)Cl)Cl~    3.160
76-14-2 FC(F)(C(F)(F)Cl)Cl~    2.820
76-22-2 O=C1CC2CCC1(C)C2(C)(C)~    2.560
76-25-5 O=C1C=CC4(C(=C1)CCC3C5CC2OC(OC2(C(=O)CO)C5(C)(CC(O)C34(F)))(C)C)(C)~    2.530
76-38-0 FC(F)(OC)C(Cl)Cl~    2.210
76-43-7 O=C3C=C2CCC1C4CCC(O)(C)C4(C)(CC(O)C1(F)C2(C)CC3)~    2.380
76-44-8 C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl~    6.100
76-57-3 OC1C=CC5C4N(C)CCC25(c3c(OC12)c(OC)ccc3C4)~    1.190
76-68-6 O=C1NC(=O)C(C(=O)N1)(CC=C)C2C=CCC2~    1.510
76-73-3 O=C1NC(=O)C(C(=O)N1)(CC=C)C(C)CCC~    1.970
76-74-4 O=C1NC(=O)C(C(=O)N1)(CC)C(C)CCC~    2.100
76-75-5 O=C1NC(NC(=O)C1(CC)C(C)CCC)=S~    2.850
76-76-6 O=C1NC(=O)C(C(=O)N1)(CC)C(C)C~    0.970
76-83-5 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)Cl~    5.250
76-84-6 OC(c1ccccc1)(c2ccccc2)c3ccccc3~    3.680
76-87-9 O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3~    3.530
76-93-7 O=C(O)C(O)(c1ccccc1)c2ccccc2~    2.300
76-94-8 O=C2NC(=O)C(c1ccccc1)(C(=O)N2)C~    0.910
76-99-3 O=C(CC)C(c1ccccc1)(c2ccccc2)CC(N(C)C)C~    3.930
77-02-1 O=C1NC(=O)C(C(=O)N1)(CC=C)C(C)C~    1.150
77-06-5 O=C(O)C4C2C1(OC(=O)C2(C)(C(O)C=C1))C5CCC3(O)(C(=C)CC45(C3))~    0.240
77-20-3 O=C(OC2(c1ccccc1)(CCN(C)CC2(C)))CC~    2.830
77-21-4 O=C2NC(=O)C(c1ccccc1)(CC)CC2~    1.900
77-27-0 O=C1NC(NC(=O)C1(CC=C)C(C)CCC)=S~    3.230
77-28-1 O=C1NC(=O)C(C(=O)N1)(CC)CCCC~    1.730
77-30-5 O=C1NC(=O)C(C(=O)N1)(CC)CCCCCC~    2.460
77-36-1 O=C2NC(O)(c1ccc(c(c1)S(=O)(=O)N)Cl)c3ccccc23~    0.850
77-47-4 C=1(C(=C(C(C=1Cl)(Cl)Cl)Cl)Cl)Cl~    5.040
77-65-6 O=C(N)NC(=O)C(CC)(CC)Br~    1.540
77-81-6 N#CP(=O)(OCC)N(C)C~    0.380
77-92-9 O=C(O)CC(O)(C(=O)O)CC(=O)O~   -1.640
77-99-6 OCC(CO)(CO)CC~   -1.480
78-00-2 CC[Pb](CC)(CC)CC~    4.150
78-27-3 C#CC1(O)(CCCCC1)~    1.730
78-38-6 O=P(OCC)(OCC)CC~    0.660
78-40-0 O=P(OCC)(OCC)OCC~    0.800
78-51-3 O=P(OCCOCCCC)(OCCOCCCC)OCCOCCCC~    3.750
78-59-1 O=C1C=C(C)CC(C)(C)C1~    1.700
78-62-6 O(CC)[Si](OCC)(C)C~    0.610
78-67-1 N#CC(N=NC(C#N)(C)C)(C)C~    1.100
78-70-6 OC(C=C)(C)CCC=C(C)C~    2.970
78-79-5 C=CC(=C)C~    2.420
78-81-9 NCC(C)C~    0.730
78-82-0 N#CC(C)C~    0.460
78-87-5 CC(CCl)Cl~    1.980
78-93-3 O=C(C)CC~    0.290
78-96-6 OC(C)CN~   -0.960
79-00-5 C(C(Cl)Cl)Cl~    1.890
79-01-6 C(=C(Cl)Cl)Cl~    2.420
79-05-0 O=C(N)CC~   -0.660
79-06-1 O=C(N)C=C~   -0.670
79-07-2 O=C(N)CCl~   -0.530
79-09-4 O=C(O)CC~    0.330
79-10-7 O=C(O)C=C~    0.350
79-20-9 O=C(OC)C~    0.180
79-24-3 O=[N+]([O-])CC~    0.180
79-34-5 C(C(Cl)Cl)(Cl)Cl~    2.390
79-43-6 O=C(O)C(Cl)Cl~    0.920
79-60-7 O=C3C=C2CCC1C4CCC(O)(C(=O)CO)C4(C)(CC(=O)C1(F)C2(C)CC3)~    1.370
80-08-0 O=S(=O)(c1ccc(N)cc1)c2ccc(N)cc2~    0.970
80-11-5 O=NN(C)S(=O)(=O)c1ccc(cc1)C~    0.580
80-17-1 O=S(=O)(NN)c1ccccc1~   -0.140
80-26-2 O=C(OC(C)(C)C1CC=C(C)CC1)C~    3.960
80-40-0 O=S(=O)(OCC)c1ccc(cc1)C~    1.810
80-56-8 C1=C(C)C2CC(C1)C2(C)(C)~    4.580
80-60-4 O=C(O)C(N)CC~   -2.540
80-62-6 O=C(OC)C(=C)C~    1.380
81-06-1 O=S(=O)(O)c2ccc1ccccc1c2(N)~   -0.970
81-07-2 O=C1NS(=O)(=O)c2ccccc12~    0.910
81-16-3 O=S(=O)(O)c2c(N)ccc1ccccc12~   -1.160
81-25-4 O=C(O)CCC(C)C2CCC3C4C(O)CC1CC(O)CCC1(C)C4(CC(O)C23(C))~    2.020
81-92-5 Oc1ccc(cc1)C(c2ccc(O)cc2)c3ccccc3CO~    3.270
82-05-3 O=C2c1ccccc1c4cccc3cccc2c34~    4.810
82-07-5 O=C(O)C2c3ccccc3(Oc1ccccc12)~    2.230
82-38-2 O=C1c3ccccc3(C(=O)c2c(cccc12)NC)~    4.100
82-45-1 O=C1c3ccccc3(C(=O)c2c(N)cccc12)~    3.740
83-25-0 O=C2N(c1ccccc1)C(=O)CC2~    0.060
83-32-9 c2cc1cccc3c1c(c2)CC3~    3.920
83-34-1 c1ccc2c(c1)[nH]cc2C~    2.600
83-40-9 O=C(O)c1cccc(c1(O))C~    2.860
83-41-0 O=[N+]([O-])c1cccc(c1C)C~    2.830
83-42-1 O=[N+]([O-])c1cccc(c1C)Cl~    3.090
83-44-3 O=C(O)CCC(C)C2CCC3C4CCC1CC(O)CCC1(C)C4(CC(O)C23(C))~    3.500
83-54-5 O=C1C=CN(c2ccccc12)C~    0.440
83-79-4 O=C3c5ccc1OC(C(=C)C)Cc1c5(OC4COc2cc(OC)c(OC)cc2C34)~    4.100
83-88-5 O=C3N=C2C(=Nc1cc(c(cc1N2CC(O)C(O)C(O)CO)C)C)C(=O)N3~   -1.460
83-98-7 O(CCN(C)C)C(c1ccccc1)c2ccccc2C~    3.770
84-01-5 c1ccc3c(c1)N(c2cc(ccc2S3)Cl)CCCN(CC)CC~    6.460
84-04-8 O=C(N)C4CCN(CCCN3c1ccccc1Sc2ccc(cc23)Cl)CC4~    4.440
84-11-7 O=C2C(=O)c1ccccc1c3ccccc23~    2.520
84-51-5 O=C1c3ccccc3(C(=O)c2cc(ccc12)CC)~    4.370
84-65-1 O=C1c3ccccc3(C(=O)c2ccccc12)~    3.390
84-69-5 O=C(OCC(C)C)c1ccccc1(C(=O)OCC(C)C)~    4.110
84-74-2 O=C(OCCCC)c1ccccc1(C(=O)OCCCC)~    4.500
84-75-3 O=C(OCCCCCC)c1ccccc1(C(=O)OCCCCCC)~    6.820
84-87-7 O=S(=O)(O)c2ccc(O)c1ccccc12~   -0.440
84-96-8 c1ccc3c(c1)N(c2ccccc2S3)CC(C)CN(C)C~    4.710
84-97-9 c1ccc3c(c1)N(c2ccccc2S3)CCCN4CCN(C)CC4~    4.000
85-01-8 c1ccc3c(c1)ccc2ccccc23~    4.460
85-02-9 n1cccc3c1ccc2ccccc23~    3.430
85-41-6 O=C1NC(=O)c2ccccc12~    1.150
85-44-9 O=C1OC(=O)c2ccccc12~    1.600
85-45-0 O=[N+]([O-])c1cccc(N)c1(OC)~    1.780
85-68-7 O=C(OCc1ccccc1)c2ccccc2(C(=O)OCCCC)~    4.730
85-79-0 O=C(NCCN(CC)CC)c2cc(nc1ccccc12)OCCCC~    4.400
85-81-4 O=[N+]([O-])c2cc(OC)cc1cccnc12~    1.870
86-28-2 c1ccc3c(c1)c2ccccc2n3CC~    4.490
86-30-6 O=NN(c1ccccc1)c2ccccc2~    3.130
86-50-0 O=C1c2ccccc2(N=NN1CSP(OC)(OC)=S)~    2.750
86-55-5 O=C(O)c2cccc1ccccc12~    3.100
86-56-6 c1ccc2c(c1)cccc2N(C)C~    3.460
86-73-7 c1ccc3c(c1)c2ccccc2C3~    4.180
86-74-8 c1ccc3c(c1)[nH]c2ccccc23~    3.720
86-88-4 NC(Nc2cccc1ccccc12)=S~    1.650
86-96-4 O=C1NC(=O)c2ccccc2(N1)~    0.770
87-08-1 O=C(O)C3N2C(=O)C(NC(=O)COc1ccccc1)C2SC3(C)(C)~    2.090
87-17-2 O=C(Nc1ccccc1)c2ccccc2(O)~    3.270
87-33-2 O=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12~    1.310
87-40-1 O(c1c(cc(cc1Cl)Cl)Cl)C~    4.110
87-41-2 O=C1OCc2ccccc12~    0.800
87-62-7 Nc1c(cccc1C)C~    1.840
87-65-0 Oc1c(cccc1Cl)Cl~    2.750
87-68-3 C(C(=C(Cl)Cl)Cl)(=C(Cl)Cl)Cl~    4.780
87-82-1 c1(c(c(c(c(c1Br)Br)Br)Br)Br)Br~    6.070
87-84-3 C1(C(C(C(C(C1Br)Br)Br)Br)Br)Cl~    4.720
87-85-4 c1(c(c(c(c(c1C)C)C)C)C)C~    5.110
87-86-5 Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl~    5.120
87-91-2 O=C(OCC)C(O)C(O)C(=O)OCC~   -0.290
88-06-2 Oc1c(cc(cc1Cl)Cl)Cl~    3.690
88-09-5 O=C(O)C(CC)CC~    1.680
88-12-0 O=C1N(C=C)CCC1~    0.370
88-14-2 O=C(O)c1occc1~    0.640
88-15-3 O=C(c1cccs1)C~    1.250
88-17-5 FC(F)(F)c1ccccc1(N)~    2.410
88-67-5 O=C(O)c1ccccc1I~    2.400
88-68-6 O=C(N)c1ccccc1(N)~    0.350
88-85-7 O=[N+]([O-])c1cc(c(O)c(c1)C(C)CC)[N+](=O)[O-]~    3.560
88-96-0 O=C(N)c1ccccc1(C(=O)N)~   -1.730
89-52-1 O=C(O)c1ccccc1(NC(=O)C)~    1.880
89-55-4 O=C(O)c1cc(ccc1(O))Br~    3.230
89-56-5 O=C(O)c1cc(ccc1(O))C~    2.780
89-61-2 O=[N+]([O-])c1cc(ccc1Cl)Cl~    3.090
89-63-4 O=[N+]([O-])c1cc(ccc1(N))Cl~    2.720
89-71-4 O=C(OC)c1ccccc1C~    2.750
89-72-5 Oc1ccccc1C(C)CC~    3.270
89-82-7 O=C1C(=C(C)C)CCC(C)C1~    3.080
90-00-6 Oc1ccccc1CC~    2.470
90-02-8 O=Cc1ccccc1(O)~    1.810
90-03-9 Oc1ccccc1[Hg]Cl~    1.510
90-04-0 O(c1ccccc1(N))C~    1.180
90-05-1 Oc1ccccc1(OC)~    1.320
90-13-1 c1ccc2c(c1)cccc2Cl~    3.900
90-44-8 O=C2c1ccccc1Cc3ccccc23~    3.660
90-47-1 O=C1c3ccccc3(Oc2ccccc12)~    3.390
90-64-2 O=C(O)C(O)c1ccccc1~    0.620
90-82-4 OC(c1ccccc1)C(NC)C~    1.010
91-01-0 OC(c1ccccc1)c2ccccc2~    2.670
91-02-1 O=C(c1ncccc1)c2ccccc2~    1.880
91-10-1 Oc1c(OC)cccc1(OC)~    1.150
91-15-6 N#Cc1ccccc1(C#N)~    0.990
91-16-7 O(c1ccccc1(OC))C~    1.600
91-18-9 n1cnc2nccnc2(c1)~   -0.580
91-19-0 n1ccnc2ccccc12~    1.320
91-20-3 c1ccc2ccccc2(c1)~    3.300
91-22-5 n1cccc2ccccc12~    2.030
91-40-7 O=C(O)c2ccccc2(Nc1ccccc1)~    4.360
91-55-4 c1ccc2c(c1)[nH]c(c2C)C~    3.050
91-56-5 O=C1Nc2ccccc2(C1(=O))~    0.830
91-58-7 c1ccc2cc(ccc2(c1))Cl~    3.980
91-62-3 n1cccc2cc(ccc12)C~    2.570
91-66-7 c1ccc(cc1)N(CC)CC~    3.310
91-96-3 O=C(Nc1ccc(cc1C)c2ccc(NC(=O)CC(=O)C)c(c2)C)CC(=O)C~    1.750
92-24-0 c1ccc2cc3cc4ccccc4(cc3(cc2(c1)))~    5.760
92-50-2 OCCN(c1ccccc1)CC~    2.100
92-52-4 c1ccc(cc1)c2ccccc2~    3.980
92-53-5 O2CCN(c1ccccc1)CC2~    1.360
92-54-6 c1ccc(cc1)N2CCNCC2~    1.100
92-62-6 n1c3cc(N)ccc3(cc2ccc(N)cc12)~    1.830
92-66-0 c1ccc(cc1)c2ccc(cc2)Br~    4.960
92-67-1 Nc1ccc(cc1)c2ccccc2~    2.860
92-69-3 Oc1ccc(cc1)c2ccccc2~    3.200
92-70-6 O=C(O)c1cc2ccccc2(cc1(O))~    3.050
92-71-7 n1cc(oc1c2ccccc2)c3ccccc3~    4.670
92-82-0 n1c3ccccc3(nc2ccccc12)~    2.840
92-83-1 O2c1ccccc1Cc3ccccc23~    4.230
92-84-2 c1ccc3c(c1)Nc2ccccc2S3~    4.150
92-86-4 c1cc(ccc1c2ccc(cc2)Br)Br~    5.720
92-87-5 Nc1ccc(cc1)c2ccc(N)cc2~    1.340
92-92-2 O=C(O)c1ccc(cc1)c2ccccc2~    3.750
92-94-4 c1ccc(cc1)c2ccc(cc2)c3ccccc3~    6.030
93-04-9 O(c1ccc2ccccc2(c1))C~    3.470
93-07-2 O=C(O)c1ccc(OC)c(OC)c1~    1.610
93-09-4 O=C(O)c1ccc2ccccc2(c1)~    3.280
93-14-1 OCC(O)COc1ccccc1(OC)~    1.390
93-58-3 O=C(OC)c1ccccc1~    2.120
93-60-7 O=C(OC)c1cnccc1~    0.830
93-61-8 O=CN(c1ccccc1)C~    1.090
93-65-2 O=C(O)C(Oc1ccc(cc1C)Cl)C~    3.130
93-79-8 O=C(OCCCC)COc1cc(c(cc1Cl)Cl)Cl~    4.810
93-97-0 O=C(OC(=O)c1ccccc1)c2ccccc2~    2.260
93-99-2 O=C(Oc1ccccc1)c2ccccc2~    3.590
94-07-5 Oc1ccc(cc1)C(O)CNC~   -0.450
94-12-2 O=C(OCCC)c1ccc(N)cc1~    2.430
94-13-3 O=C(OCCC)c1ccc(O)cc1~    3.040
94-18-8 O=C(OCc1ccccc1)c2ccc(O)cc2~    3.560
94-19-9 O=S(=O)(Nc1nnc(CC)s1)c2ccc(N)cc2~    1.010
94-20-2 O=C(NCCC)NS(=O)(=O)c1ccc(cc1)Cl~    2.270
94-24-6 O=C(OCCN(C)C)c1ccc(cc1)NCCCC~    3.510
94-25-7 O=C(OCCCC)c1ccc(N)cc1~    2.870
94-26-8 O=C(OCCCC)c1ccc(O)cc1~    3.570
94-33-7 O=C(OCCO)c1ccccc1~    1.120
94-36-0 O=C(OOC(=O)c1ccccc1)c2ccccc2~    3.460
94-41-7 O=C(C=Cc1ccccc1)c2ccccc2~    3.080
94-46-2 O=C(OCCC(C)C)c1ccccc1~    4.150
94-74-6 O=C(O)COc1ccc(cc1C)Cl~    3.250
94-75-7 O=C(O)COc1ccc(cc1Cl)Cl~    2.810
94-99-5 c1cc(c(cc1Cl)Cl)CCl~    3.820
95-14-7 n1nc2ccccc2([nH]1)~    1.440
95-20-5 c1ccc2[nH]c(cc2(c1))C~    2.530
95-49-8 c1ccc(c(c1)C)Cl~    3.420
95-51-2 Nc1ccccc1Cl~    1.900
95-53-4 Nc1ccccc1C~    1.320
95-54-5 Nc1ccccc1(N)~    0.150
95-55-6 Oc1ccccc1(N)~    0.620
95-62-5 NC2CC2(c1ccccc1)~    1.540
95-63-6 c1cc(c(cc1C)C)C~    3.630
95-64-7 Nc1ccc(c(c1)C)C~    1.840
95-71-6 Oc1ccc(O)c(c1)C~    0.910
95-76-1 Nc1ccc(c(c1)Cl)Cl~    2.690
95-77-2 Oc1ccc(c(c1)Cl)Cl~    3.330
95-80-7 Nc1ccc(c(N)c1)C~    0.140
95-83-0 Nc1ccc(cc1(N))Cl~    1.280
95-84-1 Oc1ccc(cc1(N))C~    1.160
95-85-2 Oc1ccc(cc1(N))Cl~    1.810
95-87-4 Oc1cc(ccc1C)C~    2.330
95-89-6 n1cc(nc(c1C)Cl)C~    1.500
95-92-1 O=C(OCC)C(=O)OCC~    0.560
95-93-2 c1c(c(cc(c1C)C)C)C~    4.000
95-95-4 Oc1cc(c(cc1Cl)Cl)Cl~    3.720
96-09-3 O1CC1c2ccccc2~    1.610
96-14-0 CCC(C)CC~    3.600
96-18-4 C(C(CCl)Cl)Cl~    2.270
96-31-1 O=C(NC)NC~   -0.490
96-45-7 N1C(NCC1)=S~   -0.660
96-48-0 O=C1OCCC1~   -0.640
96-54-8 c1ccn(c1)C~    1.210
96-76-4 Oc1ccc(cc1C(C)(C)C)C(C)(C)C~    5.190
96-88-8 O=C(Nc1c(cccc1C)C)C2N(C)CCCC2~    1.950
96-91-3 O=[N+]([O-])c1cc(N)c(O)c(c1)[N+](=O)[O-]~    0.930
96-96-8 O=[N+]([O-])c1cc(OC)ccc1(N)~    1.940
96-97-9 O=C(O)c1cc(ccc1(O))[N+](=O)[O-]~    2.340
97-09-6 O=[N+]([O-])c1cc(ccc1Cl)S(=O)(=O)N~    0.660
97-17-6 O(c1ccc(cc1Cl)Cl)P(OCC)(OCC)=S~    5.140
97-23-4 Oc1ccc(cc1Cc2cc(ccc2(O))Cl)Cl~    4.260
97-31-4 Oc1ccc(cc1(OC))C(O)CN~   -1.050
97-53-0 Oc1ccc(cc1(OC))CC=C~    2.270
97-54-1 Oc1ccc(C=CC)cc1(OC)~    3.040
97-61-0 O=C(O)C(C)CCC~    1.800
97-63-2 O=C(OCC)C(=C)C~    1.940
97-77-8 C(N(CC)CC)(=S)SSC(N(CC)CC)=S~    3.880
97-86-9 O=C(OCC(C)C)C(=C)C~    2.660
97-88-1 O=C(OCCCC)C(=C)C~    2.880
98-00-0 OCc1occc1~    0.280
98-01-1 O=Cc1occc1~    0.410
98-06-6 c1ccc(cc1)C(C)(C)C~    4.110
98-10-2 O=S(=O)(N)c1ccccc1~    0.310
98-16-8 FC(F)(F)c1cccc(N)c1~    2.290
98-17-9 FC(F)(F)c1cccc(O)c1~    2.950
98-18-0 O=S(=O)(N)c1cccc(N)c1~   -0.380
98-46-4 O=[N+]([O-])c1cccc(c1)C(F)(F)F~    2.620
98-51-1 c1cc(ccc1C)C(C)(C)C~    5.170
98-54-4 Oc1ccc(cc1)C(C)(C)C~    3.310
98-57-7 O=S(=O)(c1ccc(cc1)Cl)C~    1.060
98-64-6 O=S(=O)(N)c1ccc(cc1)Cl~    1.150
98-73-7 O=C(O)c1ccc(cc1)C(C)(C)C~    3.850
98-80-6 OB(O)c1ccccc1~    1.580
98-82-8 c1ccc(cc1)C(C)C~    3.660
98-86-2 O=C(c1ccccc1)C~    1.580
98-89-5 O=C(O)C1CCCCC1~    1.960
98-92-0 O=C(N)c1cnccc1~   -0.370
98-95-3 O=[N+]([O-])c1ccccc1~    1.850
98-96-4 O=C(N)c1nccnc1~   -0.600
98-98-6 O=C(O)c1ncccc1~    0.720
99-03-6 O=C(c1cccc(N)c1)C~    0.830
99-04-7 O=C(O)c1cccc(c1)C~    2.370
99-05-8 O=C(O)c1cccc(N)c1~    0.650
99-06-9 O=C(O)c1cccc(O)c1~    1.500
99-10-5 O=C(O)c1cc(O)cc(O)c1~    0.860
99-24-1 O=C(OC)c1cc(O)c(O)c(O)c1~    0.860
99-28-5 O=[N+]([O-])c1cc(c(O)c(c1)Br)Br~    3.570
99-30-9 O=[N+]([O-])c1cc(c(N)c(c1)Cl)Cl~    2.800
99-34-3 O=C(O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]~    1.550
99-35-4 O=[N+]([O-])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]~    1.180
99-36-5 O=C(OC)c1cccc(c1)C~    2.770
99-48-9 OC1C(=CCC(C(=C)C)C1)C~    3.120
99-50-3 O=C(O)c1ccc(O)c(O)c1~    0.860
99-55-8 O=[N+]([O-])c1ccc(c(N)c1)C~    1.870
99-56-9 O=[N+]([O-])c1ccc(N)c(N)c1~    0.880
99-57-0 O=[N+]([O-])c1ccc(O)c(N)c1~    1.260
99-66-1 O=C(O)C(CCC)CCC~    2.750
99-75-2 O=C(OC)c1ccc(cc1)C~    2.700
99-76-3 O=C(OC)c1ccc(O)cc1~    1.960
99-77-4 O=C(OCC)c1ccc(cc1)[N+](=O)[O-]~    2.330
99-82-1 CC1CCC(CC1)C(C)C~    5.560
99-85-4 C1=C(C)CC=C(C1)C(C)C~    4.500
99-86-5 C=1C=C(CCC=1C)C(C)C~    4.250
99-87-6 c1cc(ccc1C)C(C)C~    4.100
99-89-8 Oc1ccc(cc1)C(C)C~    2.900
99-90-1 O=C(c1ccc(cc1)Br)C~    2.430
99-93-4 O=C(c1ccc(O)cc1)C~    1.350
99-94-5 O=C(O)c1ccc(cc1)C~    2.270
99-96-7 O=C(O)c1ccc(O)cc1~    1.580
99-97-8 c1cc(ccc1N(C)C)C~    2.810
99-99-0 O=[N+]([O-])c1ccc(cc1)C~    2.370
100-02-7 O=[N+]([O-])c1ccc(O)cc1~    1.910
100-06-1 O=C(c1ccc(OC)cc1)C~    1.740
100-09-4 O=C(O)c1ccc(OC)cc1~    1.960
100-10-7 O=Cc1ccc(cc1)N(C)C~    1.810
100-15-2 O=[N+]([O-])c1ccc(cc1)NC~    2.040
100-16-3 O=[N+]([O-])c1ccc(cc1)NN~    1.410
100-17-4 O=[N+]([O-])c1ccc(OC)cc1~    2.030
100-19-6 O=C(c1ccc(cc1)[N+](=O)[O-])C~    1.530
100-21-0 O=C(O)c1ccc(cc1)C(=O)O~    2.000
100-27-6 O=[N+]([O-])c1ccc(cc1)CCO~    1.120
100-29-8 O=[N+]([O-])c1ccc(OCC)cc1~    2.530
100-36-7 NCCN(CC)CC~    0.210
100-40-3 C=CC1CC=CCC1~    3.930
100-41-4 c1ccc(cc1)CC~    3.150
100-44-7 c1ccc(cc1)CCl~    2.300
100-46-9 NCc1ccccc1~    1.090
100-47-0 N#Cc1ccccc1~    1.560
100-51-6 OCc1ccccc1~    1.100
100-52-7 O=Cc1ccccc1~    1.480
100-54-9 N#Cc1cnccc1~    0.360
100-55-0 OCc1cnccc1~   -0.020
100-56-1 c1ccc(cc1)[Hg]Cl~    1.780
100-61-8 c1ccc(cc1)NC~    1.660
100-64-1 ON=C1CCCCC1~    0.840
100-68-5 c1ccc(cc1)SC~    2.740
100-69-6 n1ccccc1C=C~    1.540
100-70-9 N#Cc1ncccc1~    0.450
100-75-4 O=NN1CCCCC1~    0.360
100-83-4 O=Cc1cccc(O)c1~    1.290
100-84-5 O(c1cccc(c1)C)C~    2.660
101-05-3 n1c(nc(nc1Cl)Cl)Nc2ccccc2Cl~    3.880
101-14-4 Nc1ccc(cc1Cl)Cc2ccc(N)c(c2)Cl~    3.910
101-21-3 O=C(OC(C)C)Nc1cccc(c1)Cl~    3.510
101-41-7 O=C(OC)Cc1ccccc1~    1.830
101-43-9 O=C(OC1CCCCC1)C(=C)C~    3.130
101-77-9 Nc1ccc(cc1)Cc2ccc(N)cc2~    1.590
101-80-4 O(c1ccc(N)cc1)c2ccc(N)cc2~    1.360
101-81-5 c1ccc(cc1)Cc2ccccc2~    4.140
101-84-8 O(c1ccccc1)c2ccccc2~    4.210
101-97-3 O=C(OCC)Cc1ccccc1~    2.280
101-99-5 O=C(OCC)Nc1ccccc1~    2.300
102-03-4 O=C(Nc1ccccc1)NC(=O)C~    1.600
102-07-8 O=C(Nc1ccccc1)Nc2ccccc2~    3.000
102-09-0 O=C(Oc1ccccc1)Oc2ccccc2~    3.280
102-37-4 O=C(OCC)C=Cc1ccc(O)c(O)c1~    2.560
102-56-7 O(c1ccc(OC)c(N)c1)C~    1.200
102-70-5 C=CCN(CC=C)CC=C~    2.590
102-71-6 OCCN(CCO)CCO~   -1.000
102-93-2 O=C(N)CCc1ccccc1~    0.910
102-97-6 c1ccc(cc1)CNC(C)C~    1.830
103-26-4 O=C(OC)C=Cc1ccccc1~    2.620
103-29-7 c1ccc(cc1)CCc2ccccc2~    4.790
103-32-2 c1ccc(cc1)NCc2ccccc2~    3.130
103-33-3 N(=Nc1ccccc1)c2ccccc2~    3.820
103-36-6 O=C(OCC)C=Cc1ccccc1~    2.990
103-45-7 O=C(OCCc1ccccc1)C~    2.300
103-46-8 O=C(O)CSCc1ccccc1~    2.100
103-49-1 c1ccc(cc1)CNCc2ccccc2~    2.670
103-50-4 O(Cc1ccccc1)Cc2ccccc2~    3.310
103-63-9 c1ccc(cc1)CCBr~    3.090
103-65-1 c1ccc(cc1)CCC~    3.690
103-67-3 c1ccc(cc1)CNC~    1.520
103-72-0 C(=Nc1ccccc1)=S~    3.280
103-73-1 O(c1ccccc1)CC~    2.510
103-74-2 OCCc1ncccc1~    0.120
103-81-1 O=C(N)Cc1ccccc1~    0.450
103-83-3 c1ccc(cc1)CN(C)C~    1.980
103-89-9 O=C(Nc1ccc(cc1)C)C~    1.700
103-90-2 O=C(Nc1ccc(O)cc1)C~    0.460
104-04-1 O=C(Nc1ccc(cc1)[N+](=O)[O-])C~    1.660
104-10-9 OCCc1ccc(N)cc1~    0.100
104-14-3 Oc1ccc(cc1)C(O)CN~   -0.900
104-40-5 Oc1ccc(cc1)CCCCCCCCC~    5.760
104-43-8 Oc1ccc(cc1)CCCCCCCCCCCC~    7.910
104-51-8 c1ccc(cc1)CCCC~    4.380
104-55-2 O=CC=Cc1ccccc1~    1.900
104-63-2 OCCNCc1ccccc1~    0.790
104-66-5 O(c1ccccc1)CCOc2ccccc2~    3.810
104-72-3 c1ccc(cc1)CCCCCCCCCC~    7.350
104-84-7 NCc1ccc(cc1)C~    1.460
104-91-6 O=Nc1ccc(O)cc1~    1.290
104-92-7 O(c1ccc(cc1)Br)C~    3.050
105-36-2 O=C(OCC)CBr~    1.120
105-39-5 O=C(OCC)CCl~    0.940
105-46-4 O=C(OC(C)CC)C~    1.720
105-53-3 O=C(OCC)CC(=O)OCC~    0.960
105-58-8 O=C(OCC)OCC~    1.210
105-67-9 Oc1ccc(cc1C)C~    2.300
105-87-3 O=C(OCC=C(C)CCC=C(C)C)C~    4.010
106-18-3 O=C(OCCCC)CCCCCCCCCCC~    6.510
106-22-9 OCCC(C)CCC=C(C)C~    3.910
106-24-1 OCC=C(C)CCC=C(C)C~    3.520
106-33-2 O=C(OCC)CCCCCCCCCCC~    5.710
106-43-4 c1cc(ccc1C)Cl~    3.330
106-46-7 c1cc(ccc1Cl)Cl~    3.440
106-47-8 Nc1ccc(cc1)Cl~    1.830
106-48-9 Oc1ccc(cc1)Cl~    2.390
106-49-0 Nc1ccc(cc1)C~    1.390
106-50-3 Nc1ccc(N)cc1~   -0.300
106-51-4 O=C1C=CC(=O)C=C1~    0.200
106-58-1 N1(C)CCN(C)CC1~   -0.400
106-62-7 OCC(OCC(O)C)C~   -0.670
106-63-8 O=C(OCC(C)C)C=C~    2.220
106-87-6 O1CC1C2CCC3OC3(C2)~    0.440
106-89-8 O1CC1CCl~    0.450
106-94-5 CCCBr~    2.100
106-95-6 C=CCBr~    1.790
106-97-8 CCCC~    2.890
106-98-9 C=CCC~    2.400
107-02-8 O=CC=C~   -0.010
107-03-9 CCCS~    1.810
107-06-2 C(CCl)Cl~    1.480
107-07-3 OCCCl~    0.030
107-11-9 C=CCN~    0.030
107-12-0 N#CCC~    0.160
107-13-1 N#CC=C~    0.250
107-14-2 N#CCCl~    0.450
107-15-3 NCCN~   -2.040
107-19-7 C#CCO~   -0.380
107-21-1 OCCO~   -1.360
107-39-1 C=C(C)CC(C)(C)C~    4.550
107-44-8 O=P(F)(OC(C)C)C~    0.300
107-46-0 O([Si](C)(C)C)[Si](C)(C)C~    4.200
107-51-7 O([Si](O[Si](C)(C)C)(C)C)[Si](C)(C)C~    4.800
107-52-8 O([Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C~    6.600
107-87-9 O=C(C)CCC~    0.910
107-94-8 O=C(O)CCCl~    0.410
107-95-9 O=C(O)CCN~   -3.050
107-96-0 O=C(O)CCS~    0.430
107-97-1 O=C(O)CNC~   -2.780
108-20-3 O(C(C)C)C(C)C~    1.520
108-27-0 O=C1NC(C)CC1~   -0.100
108-37-2 c1cc(cc(c1)Br)Cl~    3.700
108-38-3 c1cc(cc(c1)C)C~    3.200
108-39-4 Oc1cccc(c1)C~    1.960
108-43-0 Oc1cccc(c1)Cl~    2.500
108-46-3 Oc1cccc(O)c1~    0.800
108-50-9 n1cc(nc(c1)C)C~    0.540
108-60-1 O(C(C)CCl)C(C)CCl~    2.480
108-65-6 O=C(OC(C)COC)C~    0.560
108-68-9 Oc1cc(cc(c1)C)C~    2.350
108-73-6 Oc1cc(O)cc(O)c1~    0.160
108-75-8 n1c(cc(cc1C)C)C~    1.880
108-78-1 n1c(nc(nc1N)N)N~   -1.370
108-86-1 c1ccc(cc1)Br~    2.990
108-87-2 CC1CCCCC1~    3.610
108-90-7 c1ccc(cc1)Cl~    2.840
108-94-1 O=C1CCCCC1~    0.810
108-98-5 c1ccc(cc1)S~    2.520
109-00-2 Oc1cnccc1~    0.480
109-02-4 O1CCN(C)CC1~   -0.330
109-04-6 n1ccccc1Br~    1.420
109-06-8 n1ccccc1C~    1.110
109-08-0 n1ccnc(c1)C~    0.210
109-09-1 n1ccccc1Cl~    1.220
109-49-9 O=C(C)CCC=C~    1.020
109-52-4 O=C(O)CCCC~    1.390
109-59-1 OCCOC(C)C~    0.050
109-60-4 O=C(OCCC)C~    1.240
109-65-9 CCCCBr~    2.750
109-66-0 CCCCC~    3.390
109-69-3 CCCCCl~    2.640
109-73-9 NCCCC~    0.970
109-75-1 N#CCC=C~    0.400
109-76-2 NCCCN~   -1.430
109-78-4 N#CCCO~   -0.940
109-79-5 CCCCS~    2.280
109-86-4 OCCOC~   -0.770
109-87-5 O(C)COC~    0.000
109-89-7 N(CC)CC~    0.580
109-99-9 O1CCCC1~    0.460
110-02-1 c1ccsc1~    1.810
110-13-4 O=C(C)CCC(=O)C~   -0.270
110-16-7 O=C(O)C=CC(=O)O~   -0.010
110-19-0 O=C(OCC(C)C)C~    1.780
110-42-9 O=C(OC)CCCCCCCCC~    4.410
110-43-0 O=C(C)CCCCC~    1.980
110-44-1 O=C(O)C=CC=CC~    1.330
110-53-2 CCCCCBr~    3.370
110-54-3 CCCCCC~    3.900
110-58-7 NCCCCC~    1.490
110-59-8 N#CCCCC~    1.120
110-60-1 NCCCCN~   -0.700
110-61-2 N#CCCC#N~   -0.990
110-64-5 OCC=CCO~   -0.810
110-70-3 N(C)CCNC~   -0.620
110-74-7 O=COCCC~    0.830
110-80-5 OCCOCC~   -0.320
110-82-7 C1CCCCC1~    3.440
110-83-8 C1=CCCCC1~    2.860
110-85-0 N1CCNCC1~   -1.500
110-86-1 n1ccccc1~    0.650
110-87-2 O1C=CCCC1~    0.690
110-91-8 O1CCNCC1~   -0.860
111-13-7 O=C(C)CCCCCC~    2.370
111-14-8 O=C(O)CCCCCC~    2.420
111-16-0 O=C(O)CCCCCC(=O)O~    0.610
111-25-1 CCCCCCBr~    3.800
111-26-2 NCCCCCC~    2.060
111-42-2 OCCNCCO~   -1.430
111-44-4 O(CCCl)CCCl~    1.290
111-48-8 OCCSCCO~   -0.630
111-65-9 CCCCCCCC~    5.180
111-66-0 C=CCCCCCC~    4.570
111-68-2 NCCCCCCC~    2.570
111-69-3 N#CCCCCC#N~   -0.320
111-70-6 OCCCCCCC~    2.620
111-78-4 C1=CCCC=CCC1~    3.160
111-82-0 O=C(OC)CCCCCCCCCCC~    5.410
111-83-1 CCCCCCCCBr~    4.890
111-86-4 NCCCCCCCC~    2.900
111-87-5 OCCCCCCCC~    3.000
111-90-0 OCCOCCOCC~   -0.540
111-92-2 N(CCCC)CCCC~    2.830
111-94-4 N#CCCNCCC#N~   -1.340
111-96-6 O(C)CCOCCOC~   -0.360
112-05-0 O=C(O)CCCCCCCC~    3.420
112-12-9 O=C(C)CCCCCCCCC~    4.090
112-25-4 OCCOCCCCCC~    1.860
112-30-1 OCCCCCCCCCC~    4.570
112-36-7 O(CC)CCOCCOCC~    0.390
112-37-8 O=C(O)CCCCCCCCCC~    4.420
112-38-9 O=C(O)CCCCCCCCC=C~    3.860
112-39-0 O=C(OC)CCCCCCCCCCCCCCC~    7.380
112-40-3 CCCCCCCCCCCC~    6.100
112-48-1 O(CCOCCCC)CCCC~    2.480
112-53-8 OCCCCCCCCCCCC~    5.130
112-56-1 N#CSCCOCCOCCCC~    1.680
112-61-8 O=C(OC)CCCCCCCCCCCCCCCCC~    8.350
112-62-9 O=C(OC)CCCCCCCC=CCCCCCCCC~    7.450
112-63-0 O=C(OC)CCCCCCCC=CCC=CCCCCC~    6.820
112-73-2 O(CCOCCCC)CCOCCCC~    1.920
113-48-4 O=C2N(C(=O)C3C1C=CC(C1)C23)CC(CC)CCCC~    3.700
113-53-1 c1ccc3c(c1)C(=CCCN(C)C)c2ccccc2SC3~    4.490
114-07-8 O=C3OC(CC)C(O)(C)C(O)C(C(=O)C(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~    3.060
114-33-0 O=C(NC)c1cnccc1~    0.000
114-38-5 O=C(N)Nc1ccccc1Cl~    1.270
115-02-6 [N-]=[N+]=CC(=O)OCC(N)C(=O)O~   -2.000
115-07-1 C=CC~    1.770
115-09-3 C[Hg]Cl~    0.410
115-11-7 C=C(C)C~    2.340
115-20-8 OCC(Cl)(Cl)Cl~    1.420
115-32-2 OC(c1ccc(cc1)Cl)(c2ccc(cc2)Cl)C(Cl)(Cl)Cl~    5.020
115-43-5 O=C1NC(=O)C(C(=O)N1)(c2ccccc2)CC=C~    1.690
115-58-2 O=C1NC(=O)C(C(=O)N1)(CC)CCCCC~    2.240
115-77-5 OCC(CO)(CO)CO~   -1.690
115-86-6 O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3~    4.590
115-90-2 O=S(c1ccc(OP(OCC)(OCC)=S)cc1)C~    2.230
115-95-7 O=C(OC(C=C)(C)CCC=C(C)C)C~    3.930
115-96-8 O=P(OCCCl)(OCCCl)OCCCl~    1.440
116-29-0 O=S(=O)(c1ccc(cc1)Cl)c2cc(c(cc2Cl)Cl)Cl~    4.610
116-53-0 O=C(O)C(C)CC~    1.180
117-59-9 O=S(=O)(O)c2cccc1c(O)cccc12~   -0.170
117-81-7 O=C(OCC(CC)CCCC)c1ccccc1(C(=O)OCC(CC)CCCC)~    7.600
117-84-0 O=C(OCCCCCCCC)c1ccccc1(C(=O)OCCCCCCCC)~    8.100
117-89-5 FC(F)(F)c1ccc3c(c1)N(c2ccccc2S3)CCCN4CCN(C)CC4~    5.030
117-99-7 O=C(c1ccccc1)c2ccccc2(O)~    3.520
118-10-5 OC(c2ccnc1ccccc12)C3N4CCC(C3)C(C=C)C4~    2.750
118-44-5 c1ccc2c(c1)cccc2(NCC)~    3.450
118-61-6 O=C(OCC)c1ccccc1(O)~    2.950
118-74-1 c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl~    5.730
118-79-6 Oc1c(cc(cc1Br)Br)Br~    4.130
118-90-1 O=C(O)c1ccccc1C~    2.460
118-93-4 O=C(c1ccccc1(O))C~    1.920
118-95-6 O=[N+]([O-])c1cc(c(O)c(c1)C(C)C)[N+](=O)[O-]~    3.100
118-96-7 O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])C)[N+](=O)[O-]~    1.600
118-97-8 O=C(O)c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]~    2.500
119-26-6 O=[N+]([O-])c1ccc(NN)c(c1)[N+](=O)[O-]~    1.470
119-30-2 O=C(O)c1cc(ccc1(O))I~    3.340
119-33-5 O=[N+]([O-])c1cc(ccc1(O))C~    2.370
119-36-8 O=C(OC)c1ccccc1(O)~    2.550
119-56-2 OC(c1ccccc1)c2ccc(cc2)Cl~    3.610
119-64-2 c1ccc2c(c1)CCCC2~    3.490
119-75-5 O=[N+]([O-])c2ccccc2(Nc1ccccc1)~    3.660
119-81-3 O=C(Nc1ccc(OC)cc1[N+](=O)[O-])C~    1.090
119-90-4 O(c1cc(ccc1(N))c2ccc(N)c(OC)c2)C~    1.810
119-93-7 Nc1ccc(cc1C)c2ccc(N)c(c2)C~    2.340
120-12-7 c1ccc2cc3ccccc3(cc2(c1))~    4.450
120-18-3 O=S(=O)(O)c1ccc2ccccc2(c1)~    0.630
120-20-7 O(c1ccc(cc1(OC))CCN)C~    0.770
120-26-3 O(c1ccc(cc1(OC))CC(N)C)C~    1.200
120-47-8 O=C(OCC)c1ccc(O)cc1~    2.470
120-51-4 O=C(OCc1ccccc1)c2ccccc2~    3.970
120-57-0 O=Cc1ccc2OCOc2(c1)~    1.050
120-66-1 O=C(Nc1ccccc1C)C~    0.850
120-72-9 c1ccc2[nH]ccc2(c1)~    2.140
120-73-0 n1cnc2nc[nH]c2(c1)~   -0.370
121-21-1 O=C(OC1C(=C(C(=O)C1)CC=CC=C)C)C2C(C=C(C)C)C2(C)(C)~    5.900
121-30-2 O=S(=O)(N)c1cc(c(cc1(N))Cl)S(=O)(=O)N~   -0.410
121-33-5 O=Cc1ccc(O)c(OC)c1~    1.210
121-34-6 O=C(O)c1ccc(O)c(OC)c1~    1.430
121-44-8 N(CC)(CC)CC~    1.450
121-57-3 O=S(=O)(O)c1ccc(N)cc1~   -2.160
121-66-4 O=[N+]([O-])c1cnc(N)s1~    0.830
121-71-1 O=C(c1cccc(O)c1)C~    1.390
121-72-2 c1cc(cc(c1)C)N(C)C~    2.800
121-73-3 O=[N+]([O-])c1cccc(c1)Cl~    2.460
121-75-5 O=C(OCC)CC(C(=O)OCC)SP(OC)(OC)=S~    2.360
121-79-9 O=C(OCCC)c1cc(O)c(O)c(O)c1~    1.800
121-81-3 O=C(N)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]~    0.830
121-82-4 O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])C1~    0.870
121-92-6 O=C(O)c1cccc(c1)[N+](=O)[O-]~    1.830
121-98-2 O=C(OC)c1ccc(OC)cc1~    2.270
122-09-8 NC(C)(C)Cc1ccccc1~    1.900
122-11-2 O=S(=O)(Nc1nc(nc(OC)c1)OC)c2ccc(N)cc2~    1.630
122-14-5 O=[N+]([O-])c1ccc(OP(OC)(OC)=S)cc1C~    3.300
122-28-1 O=C(Nc1cccc(c1)[N+](=O)[O-])C~    1.470
122-34-9 n1c(nc(nc1NCC)Cl)NCC~    2.180
122-37-2 Oc1ccc(cc1)Nc2ccccc2~    2.820
122-39-4 c1ccc(cc1)Nc2ccccc2~    3.500
122-42-9 O=C(OC(C)C)Nc1ccccc1~    2.600
122-57-6 O=C(C=Cc1ccccc1)C~    2.180
122-69-0 O=C(OCC=Cc1ccccc1)C=Cc2ccccc2~    4.450
122-79-2 O=C(Oc1ccccc1)C~    1.490
122-80-5 O=C(Nc1ccc(N)cc1)C~    0.080
122-88-3 O=C(O)COc1ccc(cc1)Cl~    2.250
122-94-1 Oc1ccc(OCCCC)cc1~    2.900
122-98-5 OCCNc1ccccc1~    0.820
123-01-3 c1ccc(cc1)CCCCCCCCCCCC~    8.650
123-02-4 c1ccc(cc1)CCCCCCCCCCCCC~    9.360
123-07-9 Oc1ccc(cc1)CC~    2.580
123-25-1 O=C(OCC)CCC(=O)OCC~    1.200
123-30-8 Oc1ccc(N)cc1~    0.040
123-32-0 n1cc(ncc1C)C~    0.630
123-33-1 O=C1C=CC(=O)NN1~   -0.840
123-35-3 C=CC(=C)CCC=C(C)C~    4.170
123-54-6 O=C(C)CC(=O)C~    0.400
123-75-1 N1CCCC1~    0.460
123-76-2 O=C(O)CCC(=O)C~   -0.490
123-86-4 O=C(OCCCC)C~    1.780
123-91-1 O1CCOCC1~   -0.270
123-99-9 O=C(O)CCCCCCCC(=O)O~    1.570
124-04-9 O=C(O)CCCCC(=O)O~    0.080
124-07-2 O=C(O)CCCCCCC~    3.050
124-10-7 O=C(OC)CCCCCCCCCCCCC~    6.410
124-11-8 C=CCCCCCCC~    5.150
124-12-9 N#CCCCCCCC~    2.750
124-18-5 CCCCCCCCCC~    5.010
124-38-9 O=C=O~    0.830
124-40-3 N(C)C~   -0.380
124-48-1 C(Cl)(Br)Br~    2.160
124-76-5 OC1CC2CCC1(C)C2(C)(C)~    2.980
124-94-7 O=C1C=CC3(C(=C1)CCC2C4CC(O)C(O)(C(=O)CO)C4(C)(CC(O)C23(F)))(C)~    1.160
125-33-7 O=C2NCNC(=O)C2(c1ccccc1)CC~    0.910
125-40-6 O=C1NC(=O)C(C(=O)N1)(CC)C(C)CC~    1.650
125-46-2 O=C2C=C3Oc1c(C(=O)C)c(O)c(c(O)c1C3(C(=O)C2C(=O)C)C)C~    2.880
125-64-4 O=C1NCC(C(=O)C1(CC)CC)C~    0.780
126-33-0 O=S1(=O)(CCCC1)~   -0.770
126-73-8 O=P(OCCCC)(OCCCC)OCCCC~    4.000
126-98-7 N#CC(=C)C~    0.680
127-19-5 O=C(N(C)C)C~   -0.770
127-31-1 O=C3C=C2CCC1C4CCC(O)(C(=O)CO)C4(C)(CC(O)C1(F)C2(C)CC3)~    1.670
127-63-9 O=S(=O)(c1ccccc1)c2ccccc2~    2.400
127-69-5 O=S(=O)(Nc1onc(c1C)C)c2ccc(N)cc2~    1.010
127-79-7 O=S(=O)(Nc1nccc(n1)C)c2ccc(N)cc2~    0.140
127-91-3 C=C1CCC2CC1C2(C)(C)~    4.160
128-13-2 O=C(O)CCC(C)C2CCC3C4C(O)CC1CC(O)CCC1(C)C4(CCC23(C))~    3.580
128-37-0 Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C~    5.100
128-39-2 Oc1c(cccc1C(C)(C)C)C(C)(C)C~    4.920
128-95-0 O=C1c3ccccc3(C(=O)c2c(N)ccc(N)c12)~    3.000
129-00-0 c1cc2ccc3cccc4ccc(c1)c2c34~    4.880
129-43-1 O=C1c3ccccc3(C(=O)c2c(O)cccc12)~    3.520
129-81-7 O=C2C(=C(N(N2(c1ccccc1))C)C)I~    1.270
130-15-4 O=C1C=CC(=O)c2ccccc12~    1.710
131-16-8 O=C(OCCC)c1ccccc1(C(=O)OCCC)~    3.270
131-18-0 O=C(OCCCCC)c1ccccc1(C(=O)OCCCCC)~    5.620
131-57-7 O=C(c1ccccc1)c2ccc(OC)cc2(O)~    3.790
131-89-5 O=[N+]([O-])c1cc(c(O)c(c1)C2CCCCC2)[N+](=O)[O-]~    4.120
131-91-9 O=Nc2c(O)ccc1ccccc12~    2.280
132-22-9 n1ccccc1C(c2ccc(cc2)Cl)CCN(C)C~    3.380
132-53-6 O=Nc1ccc2ccccc2(c1(O))~    2.460
132-64-9 o2c1ccccc1c3ccccc23~    4.120
132-65-0 c1ccc3c(c1)c2ccccc2s3~    4.380
132-86-5 Oc1cc(O)c2ccccc2(c1)~    1.970
133-06-2 O=C1N(C(=O)C2CC=CCC12)SC(Cl)(Cl)Cl~    2.800
133-07-3 O=C1c2ccccc2(C(=O)N1SC(Cl)(Cl)Cl)~    2.850
133-11-9 O=C(Oc1ccccc1)c2ccc(N)cc2(O)~    3.150
133-16-4 O=C(OCCN(CC)CC)c1ccc(N)cc1Cl~    2.860
133-67-5 O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))C(Cl)Cl~    0.620
133-91-5 O=C(O)c1cc(cc(c1(O))I)I~    4.560
134-20-3 O=C(OC)c1ccccc1(N)~    1.880
134-62-3 O=C(c1cccc(c1)C)N(CC)CC~    2.180
134-81-6 O=C(c1ccccc1)C(=O)c2ccccc2~    3.380
134-98-5 O=C(Nc1cccc(c1C)C)C~    1.350
135-01-3 c1ccc(c(c1)CC)CC~    3.720
135-07-9 O=S(=O)(N)c1cc2c(cc1Cl)NC(N(C)S2(=O)(=O))CCl~    1.420
135-09-1 O=S(=O)(N)c1cc2c(cc1C(F)(F)F)NCNS2(=O)(=O)~    0.360
135-48-8 c1ccc2cc3cc4cc5ccccc5(cc4(cc3(cc2(c1))))~    7.110
135-67-1 O1c3ccccc3(Nc2ccccc12)~    3.850
135-98-8 c1ccc(cc1)C(C)CC~    4.570
136-45-8 O=C(OCCC)c1ncc(cc1)C(=O)OCCC~    3.570
136-60-7 O=C(OCCCC)c1ccccc1~    3.840
136-77-6 Oc1ccc(c(O)c1)CCCCCC~    3.450
136-83-4 Oc1ccccc1CCCCCCCCC~    5.760
137-17-7 Nc1cc(c(cc1C)C)C~    2.270
137-26-8 C(N(C)C)(=S)SSC(N(C)C)=S~    1.730
138-38-5 O=S(=O)(N)c1ccc(cc1)CC~    1.310
138-52-3 OCc2ccccc2(OC1OC(CO)C(O)C(O)C1(O))~   -1.220
138-56-7 O=C(NCc1ccc(OCCN(C)C)cc1)c2cc(OC)c(OC)c(OC)c2~    2.290
138-86-3 C=C(C)C1CC=C(C)CC1~    4.480
139-40-2 n1c(nc(nc1NC(C)C)Cl)NC(C)C~    2.930
139-59-3 O(c1ccccc1)c2ccc(N)cc2~    2.960
139-65-1 Nc1ccc(cc1)Sc2ccc(N)cc2~    2.180
139-66-2 c1ccc(cc1)Sc2ccccc2~    4.450
139-84-4 Oc1cccc(c1)CCCCCCCCC~    5.610
140-11-4 O=C(OCc1ccccc1)C~    1.960
140-29-4 N#CCc1ccccc1~    1.560
140-40-9 O=C(Nc1ncc([N+](=O)[O-])s1)C~    1.300
140-79-4 O=NN1CCN(N=O)CC1~   -0.850
140-88-5 O=C(OCC)C=C~    1.320
141-32-2 O=C(OCCCC)C=C~    2.360
141-66-2 O=C(C=C(OP(=O)(OC)OC)C)N(C)C~   -0.490
141-93-5 c1cc(cc(c1)CC)CC~    4.570
141-97-9 O=C(OCC)CC(=O)C~    0.250
142-28-9 C(CCl)CCl~    2.000
142-62-1 O=C(O)CCCCC~    1.920
142-68-7 O1CCCCC1~    0.950
142-82-5 CCCCCCC~    4.660
142-84-7 N(CCC)CCC~    1.670
142-96-1 O(CCCC)CCCC~    3.210
143-07-7 O=C(O)CCCCCCCCCCC~    4.600
143-08-8 OCCCCCCCCC~    3.770
143-50-0 O=C1C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl~    5.410
143-62-4 O=C1OCC(=C1)C3CCC4(O)(C5CCC2CC(O)CCC2(C)C5(CCC34(C)))~    2.640
143-74-8 O=S4(=O)(OC(c1ccc(O)cc1)(c2ccc(O)cc2)c3ccccc34)~    3.020
144-19-4 OCC(C)(C)C(O)C(C)C~    1.240
144-48-9 O=C(N)CI~   -0.190
144-80-9 O=C(NS(=O)(=O)c1ccc(N)cc1)C~   -0.960
144-83-2 O=S(=O)(Nc1ncccc1)c2ccc(N)cc2~    0.350
145-73-3 O=C(O)C2C1OC(CC1)C2(C(=O)O)~    1.910
146-54-3 FC(F)(F)c1ccc3c(c1)N(c2ccccc2S3)CCCN(C)C~    5.540
147-55-7 O=C(O)C3N2C(=O)C(NC(=O)C(Oc1ccccc1)C)C2SC3(C)(C)~    2.200
147-85-3 O=C(O)C1NCCC1~   -2.540
147-93-3 O=C(O)c1ccccc1S~    2.390
148-24-3 Oc1cccc2cccnc12~    2.020
148-53-8 O=Cc1cccc(OC)c1(O)~    1.370
149-32-6 OCC(O)C(O)CO~   -2.290
149-91-7 O=C(O)c1cc(O)c(O)c(O)c1~    0.700
150-13-0 O=C(O)c1ccc(N)cc1~    0.830
150-76-5 Oc1ccc(OC)cc1~    1.580
151-10-0 O(c1cccc(OC)c1)C~    2.210
152-02-3 Oc1ccc2c(c1)C34(CCN(CC=C)C(C2)C4(CCCC3))~    3.480
152-58-9 O=C4C=C3CCC2C(CCC1(C)(C2(CCC1(O)(C(=O)CO))))C3(C)CC4~    3.080
153-61-7 O=C(O)C3=C(COC(=O)C)CSC2N3(C(=O)C2(NC(=O)Cc1cccs1))~    0.000
153-78-6 Nc2ccc3c1ccccc1Cc3(c2)~    3.140
154-21-2 O=C(NC(C(O)C)C1OC(C(O)C(O)C1(O))SC)C2N(C)CC(CCC)C2~    0.560
154-93-8 O=NN(C(=O)NCCCl)CCCl~    1.530
156-34-3 NC(C)Cc1ccccc1~    1.760
156-38-7 O=C(O)Cc1ccc(O)cc1~    0.750
156-87-6 OCCCN~   -1.120
191-07-1 c1cc2ccc3ccc4ccc5ccc6ccc1c7c2c3c4c5c67~    7.640
191-24-2 c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56~    6.630
191-26-4 c1cc2ccc3cc6cccc5ccc4cc(c1)c2c3c4c56~    7.040
191-30-0 c1ccc3c(c1)cc4ccc5cccc6c2ccccc2c3c4c56~    7.710
191-68-4 c1ccc4c(c1)c2ccccc2c5c6ccccc6(c3ccccc3c45)~    8.390
194-69-4 c1ccc5c(c1)ccc4c5(ccc3ccc2ccccc2c34)~    7.110
198-55-0 c1cc2cccc3c5cccc4cccc(c(c1)c23)c45~    6.250
205-43-6 c1ccc2c(c1)ccc4c2c3ccccc3s4~    5.190
205-99-2 c1ccc3c(c1)cc5c2ccccc2c4cccc3c45~    5.780
206-44-0 c1ccc2c(c1)c4cccc3cccc2c34~    5.160
207-08-9 c1ccc2cc3c5cccc4cccc(c3(cc2(c1)))c45~    6.110
208-96-8 c1cc2cccc3C=Cc(c1)c23~    3.940
213-46-7 c1ccc5c(c1)ccc3c5(ccc2c4ccccc4(ccc23))~    7.110
214-17-5 c4ccc5cc2c(ccc1c3ccccc3(ccc12))cc5(c4)~    7.110
215-58-7 c2ccc3cc4c5ccccc5(c1ccccc1c4(cc3(c2)))~    6.410
215-62-3 n1c5ccccc5(cc4c1c2ccccc2c3ccccc34)~    5.660
217-59-4 c1ccc3c(c1)c2ccccc2c4ccccc34~    5.490
218-01-9 c1ccc2c(c1)ccc3c4ccccc4(ccc23)~    5.810
219-25-0 c1ccc4c(c1)ccc3c4(ccc2c3(ccs2))~    5.350
224-41-9 c1ccc4c(c1)ccc3cc5ccc2ccccc2c5(cc34)~    6.540
224-42-0 n2c5ccc1ccccc1c5(cc4c2ccc3ccccc34)~    5.630
224-53-3 n4c2c(ccc1ccccc12)cc5ccc3ccccc3c45~    6.450
226-36-8 n3c5ccc1ccccc1c5(cc4ccc2ccccc2c34)~    5.730
226-88-0 c3ccc4cc5cc2c(ccc1ccccc12)cc5(cc4(c3))~    6.810
230-07-9 n1cccc3c1ccc2ncccc23~    2.050
230-17-1 n2nc1ccccc1c3ccccc23~    2.400
230-27-3 n2cccc3ccc1ccccc1c23~    3.430
230-46-6 n1cccc3c1ccc2cccnc23~    2.510
233-02-3 c1ccc3c(c1)ccc2c3(ccs2)~    4.410
234-41-3 c1ccc3c(c1)ccc2ccsc23~    4.550
238-84-6 c1ccc3c(c1)ccc4c2ccccc2Cc34~    5.400
239-64-5 c1ccc3c(c1)ccc4c5ccc2ccccc2c5([nH]c34)~    6.400
243-17-4 c1ccc2cc4c(cc2(c1))c3ccccc3C4~    5.770
243-42-5 o2c1ccccc1c3cc4ccccc4(cc23)~    5.050
243-46-9 c1ccc2cc4c(cc2(c1))c3ccccc3s4~    5.340
244-63-3 n1ccc3c(c1)[nH]c2ccccc23~    3.170
244-99-5 n1cccc3c1c2ccccc2C3~    2.960
253-52-1 n1ncc2ccccc2(c1)~    0.570
253-66-7 n1nc2ccccc2(cc1)~    0.930
253-82-7 n1cnc2ccccc2(c1)~    1.000
262-12-4 O1c3ccccc3(Oc2ccccc12)~    4.300
262-20-4 O2c1ccccc1Sc3ccccc23~    4.540
268-77-9 c2ccc3cc1c(ccs1)cc3(c2)~    4.500
271-95-4 n1oc2ccccc2(c1)~    1.630
272-97-9 n1ccc2[nH]cnc2(c1)~    0.180
273-21-2 n1cccc2nc[nH]c12~    0.300
274-09-9 O1c2ccccc2(OC1)~    2.080
278-06-8 C2C1C3C1C4C2C34~    2.900
279-23-2 C1CC2CCC1C2~    3.780
281-23-2 C1C2CC3CC1CC(C2)C3~    4.240
287-92-3 C1CCCC1~    3.000
288-13-1 n1ccc[nH]1~    0.260
288-14-2 n1occc1~    0.080
288-37-9 n1oncc1~    0.160
288-42-6 n1cocc1~    0.120
288-47-1 n1ccsc1~    0.440
288-88-0 n1nc[nH]c1~   -0.580
288-94-8 n1nc[nH]n1~   -0.600
289-80-5 n1ncccc1~   -0.720
289-95-2 n1cnccc1~   -0.400
290-37-9 n1ccncc1~   -0.260
291-64-5 C1CCCCCC1~    4.000
292-64-8 C1CCCCCCC1~    4.450
298-00-0 O=[N+]([O-])c1ccc(OP(OC)(OC)=S)cc1~    2.860
298-02-2 O(CC)P(OCC)(=S)SCSCC~    3.560
298-04-4 O(CC)P(OCC)(=S)SCCSCC~    4.020
298-46-4 O=C(N)N2c3ccccc3(C=Cc1ccccc12)~    2.450
298-57-7 c1ccc(cc1)C=CCN2CCN(CC2)C(c3ccccc3)c4ccccc4~    5.770
299-84-3 O(c1cc(c(cc1Cl)Cl)Cl)P(OC)(OC)=S~    4.880
299-86-5 O=P(Oc1ccc(cc1Cl)C(C)(C)C)(OC)NC~    3.420
300-48-1 O=C(O)C(N)Cc1ccc(O)c(OC)c1~   -2.540
300-57-2 C=CCc1ccccc1~    3.230
300-76-5 O=P(OC)(OC)OC(C(Cl)(Cl)Br)Br~    1.380
301-00-8 O=C(OC)CCCCCCCC=CCC=CCC=CCC~    6.290
301-12-2 O=S(CC)CCSP(=O)(OC)OC~   -0.750
302-17-0 OC(O)C(Cl)(Cl)Cl~    0.990
302-41-0 N#CC(c1ccccc1)(c2ccccc2)CCN4CCC(C(=O)N)(N3CCCCC3)CC4~    3.910
302-79-4 O=C(O)C=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C~    6.300
303-07-1 O=C(O)c1c(O)cccc1(O)~    2.200
303-34-4 O=C(OC2CCN1CC=C(COC(=O)C(O)(C(OC)C)C(O)(C)C)C12)C(=CC)C~    1.280
303-38-8 O=C(O)c1cccc(O)c1(O)~    1.200
303-47-9 O=C1OC(C)Cc2c1c(O)c(cc2Cl)C(=O)NC(C(=O)O)Cc3ccccc3~    4.740
305-62-4 O=C(O)C(N)CCN~   -4.640
306-08-1 O=C(O)Cc1ccc(O)c(OC)c1~    0.330
306-18-3 N#CC(C#N)=NNc1ccccc1~    2.670
306-44-5 O=C(C=NO)C~    0.340
309-11-5 FC(F)(F)C(F)(F)c1ccccc1~    3.360
311-45-5 O=[N+]([O-])c1ccc(OP(=O)(OCC)OCC)cc1~    1.980
312-35-6 O=S(=O)(c1ccc(F)cc1)c2ccc(N)cc2~    2.170
312-90-3 O=C3C=C2CCC1C4CCC(C(=O)C)C4(C)(CC(O)C1C2(C)CC3)~    2.360
314-40-9 O=C1NC(=C(C(=O)N1C(C)CC)Br)C~    2.110
315-18-4 O=C(Oc1cc(c(c(c1)C)N(C)C)C)NC~    2.560
317-57-7 FC(F)(F)c2cccc1cccnc12~    2.500
319-81-3 C1=CC(C(C(C1Cl)Cl)Cl)Cl~    3.290
321-14-2 O=C(O)c1cc(ccc1(O))Cl~    3.090
322-46-3 n1ccnc2cccnc12~   -0.040
326-91-0 O=C(c1cccs1)CC(=O)C(F)(F)F~    1.460
327-19-5 O=[N+]([O-])c1ccc2[nH]c(nc2(c1))C(F)(F)F~    2.680
327-57-1 O=C(O)C(N)CCCC~   -1.530
327-98-0 O(c1cc(c(cc1Cl)Cl)Cl)P(OCC)(CC)=S~    5.230
328-74-5 FC(F)(F)c1cc(N)cc(c1)C(F)(F)F~    3.570
329-20-4 O=C(Nc1ccc(cc1)S(=O)(=O)F)C~    2.170
330-39-2 O=C(Nc1cccc(F)c1)N(C)C~    1.370
330-54-1 O=C(Nc1ccc(c(c1)Cl)Cl)N(C)C~    2.680
330-55-2 O=C(Nc1ccc(c(c1)Cl)Cl)N(OC)C~    3.200
330-64-3 O=C(Oc1cc(cc(c1)C(C)C)C(C)C)NC~    3.790
331-39-5 O=C(O)C=Cc1ccc(O)c(O)c1~    1.150
332-33-2 O=C(Nc1ccc(F)cc1)N(C)C~    1.130
333-41-5 n1c(OP(OCC)(OCC)=S)cc(nc1C(C)C)C~    3.810
334-48-5 O=C(O)CCCCCCCCC~    4.090
338-95-4 O=C1C=CC3(C(=C1)CCC2C4CCC(O)(C(=O)CO)C4(C)(CC(O)C23(F)))(C)~    1.510
344-53-6 O=C(Nc1ccc(cc1C(F)(F)F)Cl)C~    1.980
344-62-7 O=C(Nc1ccccc1C(F)(F)F)C~    1.170
346-18-9 O=S(=O)(N)c1cc2c(cc1Cl)NC(N(C)S2(=O)(=O))CSCC(F)(F)F~    1.900
348-54-9 Fc1ccccc1(N)~    1.260
348-90-3 O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)C~    3.330
349-75-7 FC(F)(F)c1cccc(c1)CO~    2.240
351-28-0 O=C(Nc1cccc(F)c1)C~    1.650
352-61-4 FC(F)(F)CCCCO~    1.150
352-87-4 O=C(OCC(F)(F)F)C(=C)C~    1.560
352-93-2 CCSCC~    1.950
354-38-1 O=C(N)C(F)(F)F~    0.120
355-68-0 FC1(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)(F))~    2.910
357-56-2 O=C(N1CCCC1)C(c2ccccc2)(c3ccccc3)C(C)CN4CCOCC4~    3.610
360-64-5 O=C(N)c1ccccc1C(F)(F)F~    0.680
360-97-4 O=C(N)c1[nH]cnc1(N)~   -1.100
363-03-1 O=C1C=CC(=O)C(=C1)c2ccccc2~    1.950
363-24-6 O=C(O)CCCC=CCC1C(=O)CC(O)C1(C=CC(O)CCCCC)~    2.820
363-72-4 Fc1cc(F)c(F)c(F)c1(F)~    2.530
364-62-5 O=C(NCCN(CC)CC)c1cc(c(N)cc1(OC))Cl~    2.620
366-18-7 n1ccccc1c2ncccc2~    1.500
367-11-3 Fc1ccccc1(F)~    2.370
367-49-7 O=C(NC)CF~   -0.830
367-93-1 OCC1OC(C(O)C(O)C1(O))SC(C)C~   -1.260
370-09-2 n1cccc(c1)CN2CCCC2~    1.100
370-86-5 N#CC(C#N)=NNc1ccc(OC(F)(F)F)cc1~    3.680
371-40-4 Fc1ccc(N)cc1~    1.150
371-62-0 FCCO~   -0.670
372-09-8 N#CCC(=O)O~   -0.760
372-19-0 Fc1cccc(N)c1~    1.300
372-47-4 Fc1cnccc1~    0.770
372-48-5 Fc1ncccc1~    0.840
372-75-8 O=C(N)NCCCC(N)C(=O)O~   -3.190
375-01-9 FC(F)(F)C(F)(F)C(F)(F)CO~    1.940
382-67-2 O=C1C=CC3(C(=C1)CCC2C4CC(C)C(C(=O)CO)C4(C)(CC(O)C23(F)))(C)~    2.350
384-97-4 FC(F)(F)C(c1ccc(OC)cc1)c2ccc(OC)cc2~    4.760
389-08-2 O=C(O)C1=CN(c2nc(ccc2(C1(=O)))C)CC~    1.590
392-56-3 Fc1c(F)c(F)c(F)c(F)c1(F)~    2.550
393-75-9 O=[N+]([O-])c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F~    2.500
394-35-4 O=C(OC)c1ccccc1(F)~    1.820
395-36-8 O=C(Nc1cccc(c1(F))Cl)C~    1.830
399-31-5 O=C(Nc1ccccc1(F))C~    1.030
400-99-7 O=[N+]([O-])c1cc(ccc1(O))C(F)(F)F~    2.340
402-38-0 FC(F)(F)c1cccc(N=NN(C)C)c1~    3.780
402-45-9 FC(F)(F)c1ccc(O)cc1~    2.820
402-54-0 O=[N+]([O-])c1ccc(cc1)C(F)(F)F~    2.550
403-54-3 N#Cc1cccc(F)c1~    1.470
404-24-0 O=C(Nc1ccccc1)C(F)(F)F~    2.210
405-50-5 O=C(O)Cc1ccc(F)cc1~    1.550
405-79-8 O=C(O)COc1ccc(F)cc1~    1.640
421-50-1 O=C(C)C(F)(F)F~    0.200
426-13-1 O=C1C=CC3(C(=C1)C(C)CC2C4CCC(O)(C(=O)C)C4(C)(CC(O)C23(F)))(C)~    2.000
430-51-3 O=C(C)CF~   -0.390
431-47-0 O=C(OC)C(F)(F)F~    0.600
433-17-0 O=S(=O)(N)c2nc1ccccc1s2~    1.330
433-19-2 FC(F)(F)c1ccc(cc1)C(F)(F)F~    3.830
434-03-7 O=C4C=C3CCC2C(CCC1(C)(C2(CCC1(O)(C#C))))C3(C)CC4~    3.110
434-22-0 O=C4C=C3CCC1C(CCC2(C)(C(O)CCC12))C3CC4~    2.620
434-75-3 O=C(O)c1c(F)cccc1Cl~    2.110
437-38-7 O=C(N(c1ccccc1)C3CCN(CCc2ccccc2)CC3)CC~    4.050
439-14-5 O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2))Cl)C~    2.820
442-51-3 n1ccc2c3ccc(OC)cc3([nH]c2(c1C))~    3.560
445-28-3 O=C(N)c1ccccc1(F)~    0.590
445-66-9 O=[N+]([O-])c1cc(cc(c1(N))[N+](=O)[O-])C(F)(F)F~    2.290
446-51-5 Fc1ccccc1CO~    1.310
446-86-6 O=[N+]([O-])c1ncn(c1Sc3ncnc2[nH]cnc23)C~    0.100
451-40-1 O=C(c1ccccc1)Cc2ccccc2~    3.180
451-82-1 O=C(O)Cc1ccccc1(F)~    1.500
452-35-7 O=S(=O)(N)c2nc1ccc(OCC)cc1s2~    2.010
453-13-4 FCC(O)CF~   -0.360
454-31-9 O=C(OCC)C(F)F~    0.870
454-89-7 O=Cc1cccc(c1)C(F)(F)F~    2.470
454-92-2 O=C(O)c1cccc(c1)C(F)(F)F~    2.950
455-14-1 FC(F)(F)c1ccc(N)cc1~    1.950
455-16-3 O=S(=O)(F)c1ccc(cc1)C~    2.740
455-24-3 O=C(O)c1ccc(cc1)C(F)(F)F~    3.100
455-36-7 O=C(c1cccc(F)c1)C~    1.770
455-37-8 O=C(N)c1cccc(F)c1~    0.910
455-38-9 O=C(O)c1cccc(F)c1~    2.150
456-22-4 O=C(O)c1ccc(F)cc1~    2.070
456-55-3 FC(F)(F)Oc1ccccc1~    3.170
456-64-4 O=S(=O)(Nc1ccccc1)C(F)(F)F~    3.050
458-24-2 FC(F)(F)c1cccc(c1)CC(NCC)C~    3.360
458-92-4 FC(F)Oc1ccccc1~    2.440
459-25-6 O=CNc1ccc(F)cc1~    1.270
459-56-3 Fc1ccc(cc1)CO~    1.360
459-57-4 O=Cc1ccc(F)cc1~    1.540
461-72-3 O=C1NC(=O)CN1~   -1.690
461-78-9 NC(C)(C)Cc1ccc(cc1)Cl~    2.600
462-06-6 Fc1ccccc1~    2.270
462-43-1 FCCCO~   -0.280
463-40-1 O=C(O)CCCCCCCC=CCC=CCC=CCC~    6.460
463-49-0 C(=C)=C~    1.450
463-82-1 CC(C)(C)C~    3.110
464-07-3 OC(C)C(C)(C)C~    1.480
465-15-6 O=C1OCC(=C1)C3C(OC(=O)C)CC4(O)(C5CCC2CC(O)CCC2(C)C5(CCC34(C)))~    1.930
465-16-7 O=C1OCC(=C1)C4C(OC(=O)C)CC5(O)(C6CCC3CC(OC2OC(C)C(O)C(OC)C2)CCC3(C)C6(CCC45(C)))~    2.400
465-29-2 O=C1C(=O)C2(C)(CCC1C2(C)(C))~    1.520
465-62-3 O=C2N6c1ccccc1C57(CCN4CC3=CCOC(C2)C(C3CC45(O))C67)~    1.820
465-65-6 O=C1CCC5(O)(C4N(CC=C)CCC25(c3c(OC12)c(O)ccc3C4))~    2.090
466-06-8 O=C1OC=C(C=C1)C4CCC5(O)(C6CCC3=CC(OC2OC(C)C(O)C(O)C2(O))CCC3(C)C6(CCC45(C)))~    2.480
466-07-9 O=C1OCC(=C1)C4CCC5(O)(C6CCC3CC(OC2OC(C)C(O)C(OC)C2(O))CCC3(C)C6(CCC45(C)))~    2.100
466-97-7 Oc5ccc4c1c5(OC2C(O)C=CC3C(NCCC123)C4)~   -0.170
467-15-2 OC1C=CC5C4NCCC25(c3c(OC12)c(OC)ccc3C4)~    0.690
468-50-8 O=C(OC2(c1ccccc1)(CCN(C)CC2(CC)))CC~    3.610
469-01-2 OC13(c4cc5OCOc5(cc4(OC3(c2ccc(OC)cc2(OC1)))))~    2.580
469-62-5 O=C(OC(c1ccccc1)(Cc2ccccc2)C(C)CN(C)C)CC~    4.180
470-82-6 O1C(C)(C)C2CCC1(C)CC2~    2.740
470-90-6 O=P(OC(=CCl)c1ccc(cc1Cl)Cl)(OCC)OCC~    3.810
475-31-0 O=C(O)CNC(=O)CCC(C)C2CCC3C4C(O)CC1CC(O)CCC1(C)C4(CC(O)C23(C))~    1.650
475-38-7 O=C1C=CC(=O)c2c(O)ccc(O)c12~    1.790
477-30-5 O=C1C=C3C(=CC=C1(OC))c2c(OC)c(OC)c(OC)cc2CCC3(NC)~    1.370
479-27-6 Nc1cccc2cccc(N)c12~    1.780
479-92-5 O=C2C(=C(N(N2(c1ccccc1))C)C)C(C)C~    1.940
480-16-0 O=C1C(O)=C(Oc2cc(O)cc(O)c12)c3ccc(O)cc3(O)~    1.540
480-18-2 O=C2c3c(O)cc(O)cc3(OC(c1ccc(O)c(O)c1)C2(O))~    0.950
480-40-0 O=C1C=C(Oc2cc(O)cc(O)c12)c3ccccc3~    3.520
480-41-1 O=C2c3c(O)cc(O)cc3(OC(c1ccc(O)cc1)C2)~    2.520
482-05-3 O=C(O)c1ccccc1c2ccccc2(C(=O)O)~    2.070
483-54-5 O=C1C(OC)=C(OC)C(=O)C(=C1C)C~    1.260
486-12-4 n1ccccc1C(=CCN2CCCC2)c3ccc(cc3)C~    3.920
486-25-9 O=C2c1ccccc1c3ccccc23~    3.580
486-56-6 O=C2N(C)C(c1cnccc1)CC2~    0.070
486-84-0 n2ccc1c3ccccc3([nH]c1c2C)~    3.100
487-26-3 O=C2c3ccccc3(OC(c1ccccc1)C2)~    3.140
487-54-7 O=C(O)CNC(=O)c1ccccc1(O)~    0.950
487-89-8 O=Cc1c[nH]c2ccccc12~    1.680
488-23-3 c1cc(c(c(c1C)C)C)C~    4.000
488-41-5 OC(CBr)C(O)C(O)C(O)CBr~   -0.270
490-79-9 O=C(O)c1cc(O)ccc1(O)~    1.740
491-35-0 n1ccc(c2ccccc12)C~    2.610
491-70-3 O=C1C=C(Oc2cc(O)cc(O)c12)c3ccc(O)c(O)c3~    2.530
491-78-1 O=C1C=C(Oc2cccc(O)c12)c3ccccc3~    4.300
492-14-8 O=C2c3ccc(O)cc3(OC(c1ccc(O)c(O)c1)C2)~    1.940
492-22-8 O=C2c1ccccc1Sc3ccccc23~    3.990
492-94-4 O=C(C(=O)c1occc1)c2occc2~    1.240
492-97-7 c2cc(c1cccs1)sc2~    3.750
493-09-4 O1c2ccccc2(OCC1)~    2.010
494-52-0 n1cccc(c1)C2NCCCC2~    0.970
494-97-3 n1cccc(c1)C2NCCC2~    0.170
495-18-1 O=C(NO)c1ccccc1~    0.260
495-40-9 O=C(c1ccccc1)CCC~    2.770
495-69-2 O=C(O)CNC(=O)c1ccccc1~    0.310
496-14-0 O2Cc1ccccc1C2~    1.760
496-41-3 O=C(O)c1oc2ccccc2(c1)~    2.410
496-63-9 O=C1C=COC=C1(O)~   -0.920
496-67-3 O=C(N)NC(=O)C(C(C)C)Br~    1.140
496-72-0 Nc1ccc(cc1(N))C~    0.660
497-23-4 O=C1OCC=C1~   -0.600
497-36-9 OC2CC1CCC2(C1)~    1.410
497-76-7 Oc2ccc(OC1OC(CO)C(O)C(O)C1(O))cc2~   -1.350
498-60-2 O=Cc1cocc1~    0.510
498-62-4 O=Cc1ccsc1~    1.010
498-66-8 C1=CC2CCC1C2~    3.240
498-94-2 O=C(O)C1CCNCC1~   -3.050
499-75-2 Oc1cc(ccc1C)C(C)C~    3.490
500-22-1 O=Cc1cnccc1~    0.290
500-28-7 O=[N+]([O-])c1ccc(OP(OC)(OC)=S)cc1Cl~    3.450
500-99-2 Oc1cc(OC)cc(OC)c1~    1.640
501-30-4 O=C1C=C(OC=C1(O))CO~   -0.640
501-52-0 O=C(O)CCc1ccccc1~    1.840
501-65-5 C(#Cc1ccccc1)c2ccccc2~    4.780
503-09-3 FCC1OC1~   -0.160
503-17-3 C(#CC)C~    1.460
503-74-2 O=C(O)CC(C)C~    1.160
504-24-5 n1ccc(N)cc1~    0.260
505-02-2 O=C(OC)C=CC#CC#CC=CC~    2.450
506-30-9 O=C(O)CCCCCCCCCCCCCCCCCCC~    9.290
506-32-1 O=C(O)CCCC=CCC=CCC=CCC=CCCCCC~    6.980
507-52-8 FC(F)(F)C(O)(C)C~    1.040
508-52-1 O=C1OCC(=C1)C2CCC3(O)(C4CCC5(O)(CC(O)CC(O)C5(CO)(C4(C(O)CC23(C)))))~   -0.020
508-59-8 O=C1OC2C(C1(=C))CCC(C)C3(O)(C=CC(=O)C23(C))~    0.770
508-75-8 O=CC56(CCC(OC1OC(C)C(O)C(O)C1(O))CC6(O)(CCC3C5(CCC4(C)(C(C2=CC(=O)OC2)CCC34(O)))))~   -0.480
508-77-0 O=CC56(CCC(OC1OC(C)C(O)C(OC)C1)CC6(O)(CCC3C5(CCC4(C)(C(C2=CC(=O)OC2)CCC34(O)))))~    0.640
508-93-0 O=C1OCC(=C1)C4CCC5(O)(C6CCC3CC(OC2OC(C)C(O)C(O)C2(O))CCC3(C)C6(CCC45(C)))~    2.100
509-74-0 O=C(OC(CC)C(c1ccccc1)(c2ccccc2)CC(N(C)C)C)C~    4.270
509-86-4 O=C1NC(=O)C(C(=O)N1)(C2=CCCCCC2)CC~    2.030
509-93-3 O=C1OC2C(C1(=C))CCC(C)C3C=CC(=O)C23(C)~    1.030
513-35-9 C(=C(C)C)C~    2.670
513-49-5 NC(C)CC~    0.740
514-61-4 O=C4C=C3CCC2C(CCC1(C)(C2(CCC1(O)(C))))C3CC4~    2.990
514-65-8 OC(c1ccccc1)(CCN2CCCCC2)C4CC3C=CC4(C3)~    4.250
515-00-4 OCC1=CCC2CC1C2(C)(C)~    3.220
515-30-0 O=C(O)C(O)(c1ccccc1)C~    0.800
515-64-0 O=S(=O)(Nc1nc(nc(c1)C)C)c2ccc(N)cc2~   -0.330
517-60-2 O=C(O)c1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1(C(=O)O)~    1.500
518-12-7 O=C1C=CC2=C(C=C1(OC))C(NC(=O)C)CCc3cc(OC)c(OC)c(OC)c23~    1.000
518-28-5 O=C3OCC4C(O)c1cc5OCOc5(cc1C(c2cc(OC)c(OC)c(OC)c2)C34)~    2.010
519-23-3 n1ccc3c(c1)c(c2c4ccccc4([nH]c2c3C))C~    4.800
519-44-8 O=[N+]([O-])c1ccc(O)c(c1(O))[N+](=O)[O-]~    2.100
520-27-4 O=C3C=C(Oc4cc(OC2OC(COC1OC(C)C(O)C(O)C1(O))C(O)C(O)C2(O))cc(O)c34)c5ccc(OC)c(O)c5~    0.140
520-33-2 O=C2c3c(O)cc(O)cc3(OC(c1ccc(OC)c(O)c1)C2)~    2.600
520-34-3 O=C1C=C(Oc2cc(O)cc(O)c12)c3ccc(OC)c(O)c3~    3.100
520-36-5 O=C1C=C(Oc2cc(O)cc(O)c12)c3ccc(O)cc3~    3.020
522-00-9 c1ccc3c(c1)N(c2ccccc2S3)CC(N(CC)CC)C~    4.770
525-66-6 OC(COc1cccc2ccccc12)CNC(C)C~    3.480
525-74-6 n1cccc(c1)C2=CCCN2C~    1.130
525-97-3 O=C(O)C2N1C(=O)C(NC(=O)CCCCCCC)C1SC2(C)(C)~    3.320
526-73-8 c1cc(c(c(c1)C)C)C~    3.660
526-86-3 O=C1C=CC(=O)C(=C1C)C~    1.230
527-20-8 Nc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl~    4.820
527-53-7 c1c(cc(c(c1C)C)C)C~    4.100
527-73-1 O=[N+]([O-])c1ncc[nH]1~    0.150
527-75-3 O=C3OC(CC)C(C)C(O)C(C(=O)C(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~    3.120
527-84-4 c1ccc(c(c1)C)C(C)C~    4.380
527-85-5 O=C(N)c1ccccc1C~    0.760
528-29-0 O=[N+]([O-])c1ccccc1[N+](=O)[O-]~    1.690
529-19-1 N#Cc1ccccc1C~    2.210
529-33-9 OC2c1ccccc1CCC2~    1.980
529-35-1 Oc1cccc2c1CCCC2~    2.950
529-37-3 O=C1C=CNc2ccccc12~    0.580
529-64-6 O=C(O)C(c1ccccc1)CO~    0.770
530-55-2 O=C1C=C(OC)C(=O)C(OC)=C1~   -0.060
530-57-4 O=C(O)c1cc(OC)c(O)c(OC)c1~    1.040
532-03-6 O=C(OCC(O)COc1ccccc1(OC))N~    0.610
533-45-9 n1csc(c1C)CCCl~    2.120
533-58-4 Oc1ccccc1I~    2.650
534-13-4 N(C(NC)=S)C~   -0.240
534-25-8 C1=CSSC1=S~    1.580
534-52-1 O=[N+]([O-])c1cc(c(O)c(c1)C)[N+](=O)[O-]~    2.120
534-82-7 Oc1ccc(cc1(OC))C(O)CO~   -0.580
535-75-1 O=C(O)C1NCCCC1~   -2.310
535-77-3 c1cc(cc(c1)C(C)C)C~    4.500
535-80-8 O=C(O)c1cccc(c1)Cl~    2.680
536-40-3 O=C(NN)c1ccc(cc1)Cl~    1.180
536-66-3 O=C(O)c1ccc(cc1)C(C)C~    3.400
536-74-3 C#Cc1ccccc1~    2.530
536-75-4 n1ccc(cc1)CC~    1.650
536-90-3 O(c1cccc(N)c1)C~    0.930
537-46-2 c1ccc(cc1)CC(NC)C~    2.070
538-43-2 OCC(O)COc1ccccc1~    0.700
538-51-2 N(=Cc1ccccc1)c2ccccc2~    2.820
538-68-1 c1ccc(cc1)CCCCC~    4.900
538-86-3 O(C)Cc1ccccc1~    1.920
540-36-3 Fc1ccc(F)cc1~    2.130
540-38-5 Oc1ccc(cc1)I~    2.910
540-51-2 OCCBr~    0.230
540-54-5 CCCCl~    2.040
540-61-4 N#CCN~   -1.370
540-88-5 O=C(OC(C)(C)C)C~    1.760
541-01-5 O([Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)(C)C)[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C~    7.200
541-02-6 O1[Si](O[Si](O[Si](O[Si](O[Si]1(C)C)(C)C)(C)C)(C)C)(C)C~    5.200
541-35-5 O=C(N)CCC~   -0.210
541-59-3 O=C1C=CC(=O)N1~   -0.290
542-28-9 O=C1OCCCC1~   -0.350
542-76-7 N#CCCCl~    0.180
542-85-8 C(=NCC)=S~    1.470
543-87-3 O=[N+]([O-])OCCC(C)C~    2.840
544-13-8 N#CCCCC#N~   -0.720
544-63-8 O=C(O)CCCCCCCCCCCCC~    6.110
545-26-6 O=C1OCC(=C1)C3C(O)CC4(O)(C5CCC2CC(O)CCC2(C)C5(CCC34(C)))~    1.600
545-27-7 O=C1OCC(=C1)C4C(O)CC5(O)(C6CCC3CC(OC2OC(C)C(O)C(O)C2)CCC3(C)C6(CCC45(C)))~    1.770
545-55-1 O=P(N1CC1)(N2CC2)N3CC3~   -0.620
545-93-7 O=C1NC(=O)C(C(=O)N1)(CC(=C)Br)C(C)C~    1.470
546-88-3 O=C(NO)C~   -1.590
547-75-1 O=C(O)CCC(C)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)(C3(CCC12(C)))~    2.800
550-44-7 O=C1c2ccccc2(C(=O)N1C)~    1.310
551-06-4 C(=Nc1cccc2ccccc12)=S~    4.340
551-27-9 O=C(O)C3N2C(=O)C(NC(=O)C(Oc1ccccc1)CC)C2SC3(C)(C)~    2.650
552-16-9 O=C(O)c1ccccc1[N+](=O)[O-]~    1.460
552-32-9 O=C(Nc1ccccc1[N+](=O)[O-])C~    1.000
552-41-0 O=C(c1ccc(OC)cc1(O))C~    1.980
552-58-9 O=C2c3c(O)cc(O)cc3(OC(c1ccc(O)c(O)c1)C2)~    2.020
552-86-3 O=C(c1occc1)C(O)c2occc2~    0.540
553-20-8 O=C(Nc1cc(ccc1(OCCC))[N+](=O)[O-])C~    1.600
553-26-4 n1ccc(cc1)c2ccncc2~    1.280
553-27-5 c1ccc(cc1)N(CCCl)CCCl~    2.900
553-97-9 O=C1C=CC(=O)C(=C1)C~    0.720
554-00-7 Nc1ccc(cc1Cl)Cl~    2.780
554-12-1 O=C(OC)CC~    0.840
554-57-4 O=C(N=C1N(N=C(S1)S(=O)(=O)N)C)C~    0.130
554-61-0 C1=C(C)CCC2C1C2(C)(C)~    4.440
554-84-7 O=[N+]([O-])c1cccc(O)c1~    2.000
555-03-3 O=[N+]([O-])c1cccc(OC)c1~    2.160
555-16-8 O=Cc1ccc(cc1)[N+](=O)[O-]~    1.560
555-60-2 N#CC(C#N)=NNc1cccc(c1)Cl~    3.380
556-08-1 O=C(O)c1ccc(cc1)NC(=O)C~    1.310
556-24-1 O=C(OC)CC(C)C~    1.820
556-33-2 O=C(O)CNC(=O)CNC(=O)CN~   -2.680
556-50-3 O=C(O)CNC(=O)CN~   -2.920
556-52-5 OCC1OC1~   -0.950
556-61-6 C(=NC)=S~    0.940
556-67-2 O1[Si](O[Si](O[Si](O[Si]1(C)C)(C)C)(C)C)(C)C~    5.100
556-69-4 O([Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)(C)C)[Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)(C)C~    7.700
556-75-2 O=P(OCC)(C)SCCSCC~    1.480
557-17-5 O(C)CCC~    1.210
557-25-5 O=C(OCC(O)CO)CCC~   -0.170
558-13-4 C(Br)(Br)(Br)Br~    3.420
558-25-8 O=S(=O)(F)C~    0.550
562-74-3 OC1(CC=C(C)CC1)C(C)C~    3.260
563-12-2 O(CC)P(OCC)(=S)SCSP(OCC)(OCC)=S~    5.070
565-80-0 O=C(C(C)C)C(C)C~    1.860
571-58-4 c1ccc2c(c1)c(ccc2C)C~    4.370
573-98-8 c1ccc2c(c1)ccc(c2C)C~    4.310
575-37-1 c2cc1ccc(cc1c(c2)C)C~    4.440
575-38-2 Oc1ccc2cccc(O)c2(c1)~    1.940
575-41-7 c1ccc2c(c1)cc(cc2C)C~    4.420
576-26-1 Oc1c(cccc1C)C~    2.360
577-19-5 O=[N+]([O-])c1ccccc1Br~    2.520
577-59-3 O=C(c1ccccc1[N+](=O)[O-])C~    1.280
578-57-4 O(c1ccccc1Br)C~    2.860
578-58-5 O(c1ccccc1C)C~    2.740
578-68-7 n1ccc(N)c2ccccc12~    1.630
579-10-2 O=C(N(c1ccccc1)C)C~    1.120
579-38-4 O=C(N(c1ccc(O)cc1)C)C(Cl)Cl~    1.780
579-43-1 OC(c1ccccc1)C(O)c2ccccc2~    1.910
579-45-3 O=C(c1ccccc1)N(N)c2ccccc2~    2.300
579-58-8 O=C(N(c1ccc(O)cc1)C)C~    0.610
579-75-9 O=C(O)c1ccccc1(OC)~    1.590
580-15-4 n1cccc2cc(N)ccc12~    1.280
580-16-5 Oc1ccc2ncccc2(c1)~    1.800
580-17-6 n1cc(N)cc2ccccc12~    1.630
580-51-8 Oc1cccc(c1)c2ccccc2~    3.230
581-08-8 O=C(Nc1ccccc1(OCC))C~    1.490
581-28-2 n1c3ccccc3(cc2cc(N)ccc12)~    2.620
581-29-3 n1c3ccccc3(cc2ccc(N)cc12)~    2.770
581-40-8 c1ccc2cc(c(cc2(c1))C)C~    4.400
581-42-0 c1cc(cc2ccc(cc12)C)C~    4.310
581-43-1 Oc1ccc2cc(O)ccc2(c1)~    1.900
581-47-5 n1ccc(cc1)c2ncccc2~    1.580
581-50-0 n1cccc(c1)c2ncccc2~    1.460
581-89-5 O=[N+]([O-])c1ccc2ccccc2(c1)~    3.240
583-53-9 c1ccc(c(c1)Br)Br~    3.640
585-07-9 O=C(OC(C)(C)C)C(=C)C~    2.540
585-48-8 n1c(cccc1C(C)(C)C)C(C)(C)C~    4.140
585-74-0 O=C(c1cccc(c1)C)C~    2.150
585-76-2 O=C(O)c1cccc(c1)Br~    2.870
586-11-8 O=[N+]([O-])c1cc(O)cc(c1)[N+](=O)[O-]~    2.360
586-38-9 O=C(O)c1cccc(OC)c1~    2.020
586-62-9 C1=C(C)CCC(=C(C)C)C1~    4.470
586-76-5 O=C(O)c1ccc(cc1)Br~    2.860
586-95-8 OCc1ccncc1~    0.060
586-96-9 O=Nc1ccccc1~    2.010
586-98-1 OCc1ncccc1~    0.060
587-03-1 OCc1cccc(c1)C~    1.600
587-34-8 O=C(Nc1cccc(c1)Cl)N(C)C~    2.000
587-48-4 O=C(O)c1cccc(c1)NC(=O)C~    1.320
587-64-4 O=C(O)COc1cc(cc(c1)Cl)Cl~    2.840
587-65-5 O=C(Nc1ccccc1)CCl~    1.630
588-16-9 O=C(Nc1cccc(OC)c1)C~    1.300
588-22-7 O=C(O)COc1ccc(c(c1)Cl)Cl~    2.810
588-46-5 O=C(NCc1ccccc1)C~    0.950
589-16-2 Nc1ccc(cc1)CC~    1.960
589-62-8 OC(CCC)CCCC~    2.680
591-17-3 c1cc(cc(c1)Br)C~    3.410
591-19-5 Nc1cccc(c1)Br~    2.100
591-22-0 n1cc(cc(c1)C)C~    1.780
591-27-5 Oc1cccc(N)c1~    0.210
591-35-5 Oc1cc(cc(c1)Cl)Cl~    3.620
591-50-4 c1ccc(cc1)I~    3.250
591-54-8 n1cnc(N)cc1~   -0.250
591-82-2 C(=NCC(C)C)=S~    2.820
591-93-5 C=CCC=C~    2.480
592-35-8 O=C(OCCCC)N~    0.850
592-41-6 C=CCCCC~    3.390
592-42-7 C=CCCC=C~    2.870
592-48-3 C=CC=CCC~    3.160
592-76-7 C=CCCCCC~    3.990
592-82-5 C(=NCCCC)=S~    2.920
593-70-4 FCCl~    0.510
593-74-8 C[Hg]C~    2.590
594-27-4 C[Sn](C)(C)C~    3.480
594-36-5 CCC(C)(C)Cl~    2.520
595-37-9 O=C(O)C(C)(C)CC~    1.900
595-46-0 O=C(O)C(C(=O)O)(C)C~    0.390
597-35-3 O=S(=O)(CC)CC~   -0.590
598-03-8 O=S(=O)(CCC)CCC~    0.390
598-16-3 C(=C(Br)Br)Br~    3.200
598-38-9 OCC(Cl)Cl~    0.370
598-50-5 O=C(N)NC~   -1.400
598-52-7 NC(NC)=S~   -0.690
598-55-0 O=C(OC)N~   -0.660
598-98-1 O=C(OC)C(C)(C)C~    1.830
599-71-3 O=S(=O)(NO)c1ccccc1~    0.480
599-82-6 O=S(=O)(Nc1ncncc1)c2ccc(N)cc2~   -0.240
599-88-2 O=S(=O)(Nc1ncc(cn1)C)c2ccc(N)cc2~    0.340
601-77-4 O=NN(C(C)C)C(C)C~    1.380
601-84-3 O=C(O)c1c(cccc1Br)Br~    3.580
601-89-8 O=[N+]([O-])c1c(O)cccc1(O)~    1.560
602-55-1 c1ccc(cc1)c3c4ccccc4(cc2ccccc23)~    6.010
602-60-8 O=[N+]([O-])c2c3ccccc3(cc1ccccc12)~    4.780
602-87-9 O=[N+]([O-])c3ccc2c1c3(cccc1CC2)~    3.850
603-11-2 O=C(O)c1cccc(c1(C(=O)O))[N+](=O)[O-]~    0.750
603-34-9 c1ccc(cc1)N(c2ccccc2)c3ccccc3~    5.740
603-35-0 c1ccc(cc1)P(c2ccccc2)c3ccccc3~    5.690
603-76-9 c1ccc2c(c1)ccn2C~    2.720
604-44-4 Oc1ccc(c2ccccc12)Cl~    3.940
604-68-2 O=C(OCC1OC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1(OC(=O)C))C~    0.630
604-75-1 O=C1Nc3ccc(cc3(C(=NC1(O))c2ccccc2))Cl~    2.240
605-45-8 O=C(OC(C)C)c1ccccc1(C(=O)OC(C)C)~    2.830
605-93-6 O=C1C=CC(=O)c2cc(ccc12)C~    2.100
605-94-7 O=C1C=C(C(=O)C(OC)=C1(OC))C~    0.800
606-20-2 O=[N+]([O-])c1cccc(c1C)[N+](=O)[O-]~    2.100
606-22-4 O=[N+]([O-])c1cccc(c1(N))[N+](=O)[O-]~    1.790
606-23-5 O=C1c2ccccc2(C(=O)C1)~    0.610
606-25-7 O=S(=O)(N)c2cccc1ccccc12~    1.550
606-26-8 O=C(NN)c1ccccc1[N+](=O)[O-]~   -0.540
606-37-1 O=[N+]([O-])c2cc1ccccc1c(c2)[N+](=O)[O-]~    2.830
606-38-2 O=C(Nc1c(cc(cc1C)C)[N+](=O)[O-])C~    1.180
606-45-1 O=C(OC)c1ccccc1(OC)~    2.040
607-34-1 O=[N+]([O-])c2cccc1ncccc12~    1.860
607-35-2 O=[N+]([O-])c2cccc1cccnc12~    1.400
607-57-8 O=[N+]([O-])c2ccc3c1ccccc1Cc3(c2)~    3.370
607-81-8 O=C(OCC)C(C(=O)OCC)Cc1ccccc1~    2.760
607-90-9 O=C(OCCC)c1ccccc1(O)~    3.800
607-99-8 O(c1c(cc(cc1Br)Br)Br)C~    4.480
608-08-2 O=C(Oc1c[nH]c2ccccc12)C~    2.010
608-31-1 Nc1c(cccc1Cl)Cl~    2.760
608-33-3 Oc1c(cccc1Br)Br~    3.360
609-35-8 O=C(N)c1cocc1~    0.090
609-38-1 O=C(N)c1occc1~   -0.110
609-40-5 O=[N+]([O-])c1cccs1~    1.550
609-66-5 O=C(N)c1ccccc1Cl~    0.640
609-99-4 O=C(O)c1cc(cc(c1(O))[N+](=O)[O-])[N+](=O)[O-]~    1.710
610-02-6 O=C(O)c1ccc(O)c(O)c1(O)~    1.050
610-15-1 O=C(N)c1ccccc1[N+](=O)[O-]~   -0.120
610-39-9 O=[N+]([O-])c1ccc(cc1[N+](=O)[O-])C~    2.080
610-40-2 O=[N+]([O-])c1ccc(cc1[N+](=O)[O-])Cl~    2.180
610-49-1 Nc1cccc2cc3ccccc3(cc12)~    3.690
610-69-5 O=C(Oc1ccccc1[N+](=O)[O-])C~    1.550
610-96-8 O=C(OC)c1ccccc1Cl~    2.380
610-97-9 O=C(OC)c1ccccc1I~    2.740
610-99-1 O=C(c1ccccc1(O))CC~    2.540
611-03-0 O=C(O)c1ccc(N)cc1(N)~   -0.310
611-06-3 O=[N+]([O-])c1ccc(cc1Cl)Cl~    3.070
611-09-6 O=C1Nc2ccc(cc2(C1(=O)))[N+](=O)[O-]~    0.470
611-21-2 c1ccc(c(c1)NC)C~    2.160
611-32-5 n1cccc2cccc(c12)C~    2.600
611-33-6 n1cccc2cccc(c12)Cl~    2.440
611-34-7 n1cccc2c1cccc2(N)~    1.160
611-70-1 O=C(c1ccccc1)C(C)C~    2.730
611-74-5 O=C(c1ccccc1)N(C)C~    0.620
612-24-8 N#Cc1ccccc1[N+](=O)[O-]~    1.020
612-28-2 O=[N+]([O-])c1ccccc1(NC)~    2.180
612-45-3 O=C(Nc1ccc(cc1[N+](=O)[O-])C)C~    1.490
612-60-2 n1cccc2ccc(cc12)C~    2.470
612-96-4 n1c3ccccc3(ccc1c2ccccc2)~    3.900
612-98-6 O=NN(c1ccccc1)Cc2ccccc2~    3.380
613-31-0 c1ccc3c(c1)Cc2ccccc2C3~    4.250
613-33-2 c1cc(ccc1c2ccc(cc2)C)C~    5.090
613-51-4 O=[N+]([O-])c1ccc2cccnc2(c1)~    1.820
613-70-7 O=C(Oc1ccccc1(OC))C~    1.380
613-93-4 O=C(NC)c1ccccc1~    0.860
614-17-5 O=C(NCC)c1ccccc1~    1.280
614-18-6 O=C(OCC)c1cnccc1~    1.320
614-19-7 O=C(O)CC(N)c1ccccc1~   -1.400
614-30-2 c1ccc(cc1)N(C)Cc2ccccc2~    4.220
614-76-6 O=C(Nc1ccccc1Br)C~    1.340
614-80-2 O=C(Nc1ccccc1(O))C~    0.720
614-96-0 c1cc2cc(ccc2([nH]1))C~    2.680
615-22-5 n2c1ccccc1sc2SC~    3.150
615-36-1 Nc1ccccc1Br~    2.110
615-43-0 Nc1ccccc1I~    2.320
615-58-7 Oc1ccc(cc1Br)Br~    3.220
615-74-7 Oc1cc(ccc1Cl)C~    2.900
615-77-0 O=C1C=CN(C(=O)N1)C~   -1.200
616-44-4 c1cscc1C~    2.340
616-45-5 O=C1NCCC1~   -0.850
616-47-7 n1ccn(c1)C~   -0.060
616-68-2 O=C(Nc1c(cc(cc1C)C)C)CN(CC)CC~    2.410
616-82-0 O=C(O)c1ccc(O)c(c1)[N+](=O)[O-]~    1.850
617-31-2 O=C(O)C(O)CCC~    0.450
617-89-0 o1cccc1CN~    0.370
618-47-3 O=C(N)c1cccc(c1)C~    1.180
618-48-4 O=C(N)c1cccc(c1)Cl~    1.510
618-51-9 O=C(O)c1cccc(c1)I~    3.130
618-87-1 O=[N+]([O-])c1cc(N)cc(c1)[N+](=O)[O-]~    1.890
618-94-0 O=C(NN)c1cccc(c1)[N+](=O)[O-]~    0.230
618-95-1 O=C(OC)c1cccc(c1)[N+](=O)[O-]~    1.890
618-98-4 O=C(OCC)c1cccc(c1)[N+](=O)[O-]~    2.350
619-01-2 OC1CC(C(=C)C)CCC1(C)~    3.210
619-05-6 O=C(O)c1ccc(N)c(N)c1~    0.130
619-17-0 O=C(O)c1ccc(cc1(N))[N+](=O)[O-]~    1.910
619-24-9 N#Cc1cccc(c1)[N+](=O)[O-]~    1.170
619-31-8 O=[N+]([O-])c1cccc(c1)N(C)C~    2.160
619-42-1 O=C(OC)c1ccc(cc1)Br~    2.950
619-45-4 O=C(OC)c1ccc(N)cc1~    1.370
619-55-6 O=C(N)c1ccc(cc1)C~    1.180
619-58-9 O=C(O)c1ccc(cc1)I~    3.020
619-64-7 O=C(O)c1ccc(cc1)CC~    2.890
619-65-8 N#Cc1ccc(cc1)C(=O)O~    1.560
619-66-9 O=Cc1ccc(cc1)C(=O)O~    1.760
619-72-7 N#Cc1ccc(cc1)[N+](=O)[O-]~    1.190
619-76-1 O=C(N)c1ccc(cc1)C(C)C~    2.140
619-80-7 O=C(N)c1ccc(cc1)[N+](=O)[O-]~    0.820
619-86-3 O=C(O)c1ccc(OCC)cc1~    2.390
619-90-9 O=C(OCc1ccc(cc1)[N+](=O)[O-])C~    1.730
620-02-0 O=Cc1oc(cc1)C~    0.670
620-17-7 Oc1cccc(c1)CC~    2.400
620-24-6 Oc1cccc(c1)CO~    0.490
620-71-3 O=C(Nc1ccccc1)CC~    1.610
620-79-1 O=C(OCC)C(C(=O)C)Cc1ccccc1~    2.520
620-80-4 O=C(OCC)C(=Cc1ccccc1)C(=O)C~    2.210
620-88-2 O=[N+]([O-])c2ccc(Oc1ccccc1)cc2~    3.920
621-04-5 O=C(Nc1ccccc1)NCC~    1.640
621-06-7 O=C(Nc1ccccc1)Cc2ccccc2~    2.700
621-08-9 O=S(Cc1ccccc1)Cc2ccccc2~    1.990
621-34-1 Oc1cccc(OCC)c1~    1.980
621-37-4 O=C(O)Cc1cccc(O)c1~    0.850
621-42-1 O=C(Nc1cccc(O)c1)C~    0.730
621-59-0 O=Cc1ccc(OC)c(O)c1~    0.970
621-64-7 O=NN(CCC)CCC~    1.360
621-65-8 O=[N+]([O-])OCC(O[N+](=O)[O-])CO~    0.830
621-79-4 O=C(N)C=Cc1ccccc1~    1.430
622-31-1 ON=Cc1ccccc1~    1.800
622-37-7 [N-]=[N+]=Nc1ccccc1~    2.590
622-38-8 c1ccc(cc1)SCC~    3.200
622-44-6 N(c1ccccc1)=C(Cl)Cl~    2.540
622-46-8 O=C(Oc1ccccc1)N~    1.080
622-50-4 O=C(Nc1ccc(cc1)I)C~    2.710
622-59-3 C(=Nc1ccc(cc1)C)=S~    3.920
622-78-6 C(=NCc1ccccc1)=S~    3.160
622-83-3 N#CN=Nc1ccccc1~    2.300
622-85-5 O(c1ccccc1)CCC~    3.180
623-05-2 Oc1ccc(cc1)CO~    0.250
623-15-4 O=C(C=Cc1occc1)C~    1.350
623-26-7 N#Cc1ccc(C#N)cc1~    0.930
623-30-3 O=CC=Cc1occc1~    1.150
623-37-0 OC(CC)CCC~    1.650
623-42-7 O=C(OC)CCC~    1.290
623-87-0 O=[N+]([O-])OCC(O)CO[N+](=O)[O-]~    0.710
624-24-8 O=C(OC)CCCC~    1.960
624-38-4 c1cc(ccc1I)I~    4.110
624-45-3 O=C(OC)CCC(=O)C~   -0.130
624-48-6 O=C(OC)C=CC(=O)OC~    0.480
624-73-7 C(CI)I~    2.710
624-84-0 O=CNN~   -2.050
624-92-0 CSSC~    1.770
625-28-5 N#CCC(C)C~    1.070
625-33-2 O=C(C=CC)C~    0.520
625-53-6 NC(NCC)=S~   -0.210
625-80-9 CC(C)SC(C)C~    2.840
625-89-8 O=NN(CC(F)(F)F)CC(F)(F)F~    2.150
626-01-7 Nc1cccc(c1)I~    2.860
626-02-8 Oc1cccc(c1)I~    2.930
626-16-4 c1cc(cc(c1)CCl)CCl~    2.720
626-17-5 N#Cc1cccc(C#N)c1~    0.800
626-39-1 c1c(cc(cc1Br)Br)Br~    4.510
626-43-7 Nc1cc(cc(c1)Cl)Cl~    2.900
626-55-1 n1cccc(c1)Br~    1.600
626-60-8 n1cccc(c1)Cl~    1.330
626-61-9 n1ccc(cc1)Cl~    1.280
626-67-5 N1(C)CCCCC1~    1.300
627-30-5 OCCCCl~    0.500
627-31-6 C(CI)CI~    3.020
627-35-0 N(C)CCC~    0.840
627-93-0 O=C(OC)CCCCC(=O)OC~    1.030
628-20-6 N#CCCCCl~    0.560
628-28-4 O(C)CCCC~    1.660
628-41-1 C1=CCC=CC1~    2.300
628-55-7 O(CC(C)C)CC(C)C~    2.780
628-81-9 O(CC)CCCC~    2.030
628-96-6 O=[N+]([O-])OCCO[N+](=O)[O-]~    1.160
629-04-9 CCCCCCCBr~    4.360
629-06-1 CCCCCCCCl~    4.150
629-20-9 C1=CC=CC=CC=C1~    3.080
629-40-3 N#CCCCCCCC#N~    0.590
629-59-4 CCCCCCCCCCCCCC~    7.200
630-60-4 O=C1OCC(=C1)C3CCC4(O)(C5CCC6(O)(CC(OC2OC(C)C(O)C(O)C2(O))CC(O)C6(CO)(C5(C(O)CC34(C)))))~   -2.000
630-64-8 O=CC56(CCC(OC1OC(C)C(O)C(O)C1)CC6(O)(CCC3C5(CCC4(C)(C(C2=CC(=O)OC2)CCC34(O)))))~    0.300
632-22-4 O=C(N(C)C)N(C)C~    0.190
632-46-2 O=C(O)c1c(cccc1C)C~    2.210
633-72-7 OCc1cnc(c(OC)c1CO)C~   -0.100
634-91-3 Nc1cc(c(c(c1)Cl)Cl)Cl~    3.320
634-97-9 O=C(O)c1ccc[nH]1~    0.850
635-21-2 O=C(O)c1cc(ccc1(N))Cl~    1.570
635-22-3 O=[N+]([O-])c1cc(N)ccc1Cl~    2.060
635-46-1 c1ccc2c(c1)NCCC2~    2.290
636-04-4 c1ccc(cc1)NC(c2ccccc2)=S~    3.030
636-28-2 c1c(c(cc(c1Br)Br)Br)Br~    5.130
636-72-6 OCc1cccs1~    0.870
638-20-0 O=C(NC(=O)C)NC(=O)C~   -0.680
638-42-6 O=C(OCCCCC)N~    1.350
639-58-7 c1ccc(cc1)[Sn](c2ccccc2)(c3ccccc3)Cl~    4.190
640-15-3 O(C)P(OC)(=S)SCCSCC~    3.150
640-79-9 O=C(O)CNC(=O)CCC(C)C2CCC3C4C(O)CC1CC(O)CCC1(C)C4(CCC23(C))~    2.070
643-15-2 C1=C(C(C(C(C1Cl)Cl)Cl)Cl)Cl~    3.720
644-08-6 c1ccc(cc1)c2ccc(cc2)C~    4.630
644-35-9 Oc1ccccc1CCC~    2.930
644-46-2 O=C1C=C(OC=C1(O))C~   -0.590
645-05-6 n1c(nc(nc1N(C)C)N(C)C)N(C)C~    2.730
645-56-7 Oc1ccc(cc1)CCC~    3.200
645-59-0 N#CCCc1ccccc1~    1.720
646-14-0 O=[N+]([O-])CCCCCC~    2.700
646-20-8 N#CCCCCCC#N~    0.050
651-85-4 O=S(=O)(c1c(F)c(F)c(F)c(F)c1(F))C~    1.110
652-32-4 O=C(O)c1c(F)c(F)c(c(F)c1(F))C~    3.150
653-22-5 O=C(Nc1c(F)c(F)c(F)c(F)c1(F))C~    1.700
654-13-7 O=C(O)CC(n2nnc1ccccc12)C~   -0.200
654-42-2 Oc1cc(c(O)c(c1)C)C~    1.000
656-49-5 FC(F)(F)c1nc2cc(ccc2([nH]1))Cl~    3.390
658-43-5 O=S(=O)(Nc1ccccc1)C(F)F~    1.950
660-88-8 O=C(O)CCCCN~   -2.630
664-95-9 O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)C~    2.900
670-96-2 n1cc[nH]c1c2ccccc2~    1.880
671-16-9 O=C(NC(C)C)c1ccc(cc1)CNNC~    0.080
672-66-2 c1ccc(cc1)P(C)C~    2.570
675-20-7 O=C1NCCCC1~   -0.460
675-21-8 Fc1cncnc1~   -0.030
683-18-1 CCCC[Sn](CCCC)(Cl)Cl~    1.560
683-57-8 O=C(N)CBr~   -0.520
683-72-7 O=C(N)C(Cl)Cl~    0.190
684-93-5 O=NN(C(=O)N)C~   -0.030
685-91-6 O=C(N(CC)CC)C~    0.340
687-48-9 O=C(OCC)N(C)C~    0.890
688-84-6 O=C(OCC(CC)CCCC)C(=C)C~    4.540
693-02-7 C#CCCCC~    2.730
693-21-0 O=[N+]([O-])OCCOCCO[N+](=O)[O-]~    0.980
693-54-9 O=C(C)CCCCCCCC~    3.730
694-85-9 O=C1C=CC=CN1C~   -0.230
695-05-6 O=C1C2CC3C1C3(C2)~    0.810
695-19-2 O=C1C=CN(C=C1)C~   -1.220
695-34-1 n1ccc(cc1N)C~    0.560
695-99-8 O=C1C=CC(=O)C(=C1)Cl~    0.840
696-44-6 c1cc(cc(c1)C)NC~    2.190
698-87-3 OC(C)Cc1ccccc1~    1.970
699-18-3 O=[N+]([O-])C=Cc1occc1~    1.560
700-00-5 n2cnc1c(ncn1C)c2N~   -0.030
700-12-9 c1c(c(c(c(c1C)C)C)C)C~    4.560
700-38-9 O=[N+]([O-])c1ccc(cc1(O))C~    2.310
701-34-8 O=S(=O)(N)c1ccc(cc1)Br~    1.360
701-56-4 O(c1ccc(cc1)N(C)C)C~    1.420
701-65-5 c1ccc(cc1)SC(Cl)(Cl)Cl~    3.780
701-83-7 O=C(Oc1cccc(F)c1)C~    1.740
705-19-1 O=[N+]([O-])c1nc(n(c1)CCO)C~   -0.590
705-48-6 O=C(Oc1cccc(F)c1)NC~    1.480
705-60-2 O=[N+]([O-])C(=Cc1ccccc1)C~    2.520
705-62-4 c1ccc(cc1)NC(N(C)C)=S~    1.040
706-07-0 O=[N+]([O-])C=Cc1ccc(cc1)Cl~    2.440
706-14-9 O=C1OC(CC1)CCCCCC~    2.720
707-07-3 O(C)C(OC)(OC)c1ccccc1~    2.270
713-05-3 O=C(NC)CCC(=O)c1cnccc1~   -0.690
716-79-0 n1c3ccccc3([nH]c1c2ccccc2)~    3.240
719-22-2 O=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C~    4.420
721-50-6 O=C(Nc1ccccc1C)C(NCCC)C~    2.110
723-62-6 O=C(O)c2c3ccccc3(cc1ccccc12)~    3.850
726-78-3 O=C1NC(=O)C(C(=O)N1C)(C2=CCCCC2)CC~    2.250
728-88-1 O=C(c1ccc(cc1)C)C(C)CN2CCCCC2~    3.650
732-11-6 O=C1c2ccccc2(C(=O)N1CSP(OC)(OC)=S)~    2.780
732-26-3 Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C~    6.060
741-58-2 O=S(=O)(NCCSP(OC(C)C)(OC(C)C)=S)c1ccccc1~    4.200
742-20-1 O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))CC3CCCC3~    1.270
745-65-3 O=C(O)CCCCCCC1C(=O)CC(O)C1(C=CC(O)CCCCC)~    3.200
746-53-2 O=C3c1cc(cc(c1c2c3(cc(cc2[N+](=O)[O-])[N+](=O)[O-]))[N+](=O)[O-])[N+](=O)[O-]~    2.400
749-02-0 O=C2NCN(c1ccccc1)C24(CCN(CCCC(=O)c3ccc(F)cc3)CC4)~    3.030
753-90-2 FC(F)(F)CN~    0.240
756-79-6 O=P(OC)(OC)C~   -0.610
758-96-3 O=C(N(C)C)CC~   -0.110
759-73-9 O=NN(C(=O)N)CC~    0.230
759-94-4 O=C(N(CCC)CCC)SCC~    3.210
760-60-1 O=NN(C(=O)N)CC(C)C~    1.040
764-13-6 C(C=C(C)C)=C(C)C~    3.500
764-42-1 N#CC=CC#N~   -0.250
765-43-5 O=C(C)C1CC1~    0.490
767-00-0 N#Cc1ccc(O)cc1~    1.600
768-03-6 O=C(C=C)c1ccccc1~    1.880
768-32-1 c1ccc(cc1)[Si](C)(C)C~    4.720
768-66-1 N1C(C)(C)CCCC1(C)C~    2.150
771-39-1 O=C1N=C(Oc2ccccc12)N~    0.270
771-50-6 O=C(O)c2c[nH]c1ccccc12~    1.990
771-61-9 Fc1c(F)c(F)c(O)c(F)c1(F)~    3.230
771-97-1 Nc1cc2ccccc2(cc1(N))~    1.540
776-35-2 c1ccc3c(c1)c2ccccc2CC3~    4.520
777-59-3 O=NN(C(=O)Nc1ccc(F)cc1)C~    1.880
779-02-2 c1ccc3c(c1)cc2ccccc2c3C~    5.070
780-11-0 O=C(Oc1cccc(c1)C(C)(C)C)NC~    2.930
780-59-6 O=C1NC(=O)C(C(=O)N1C)(CC=C)CC=C~    1.550
781-43-1 c1ccc3c(c1)c(c2ccccc2c3C)C~    5.690
786-19-6 O(CC)P(OCC)(=S)SCSc1ccc(cc1)Cl~    5.330
790-53-4 O=C(OCC)C(=Cc1ccc(F)cc1)C(=O)OCC~    3.100
791-28-6 O=P(c1ccccc1)(c2ccccc2)c3ccccc3~    2.830
816-57-9 O=NN(C(=O)N)CCC~    0.300
817-99-2 [N-]=[N+]=CC(=O)NCC(=O)N~   -1.260
818-61-1 O=C(OCCO)C=C~   -0.210
819-06-7 FC(F)(F)CN(C)C~    1.060
821-10-3 C(#CCCl)CCl~    2.010
821-55-6 O=C(C)CCCCCCC~    3.140
822-84-4 O=[N+]([O-])c1ccsc1~    1.550
822-86-6 C1CCC(C(C1)Cl)Cl~    3.200
825-44-5 O=S2(=O)(C=Cc1ccccc12)~    0.880
825-86-5 O=S(=O)(N)c1ccc(cc1)I~    1.590
829-26-5 c1cc(cc2cc(c(cc12)C)C)C~    4.730
830-07-9 O=[N+]([O-])C=Cc1oc(cc1)[N+](=O)[O-]~    1.300
830-09-1 O=C(O)C=Cc1ccc(OC)cc1~    2.680
830-13-7 O=C1CCCCCCCCCCC1~    4.100
830-81-9 O=C(Oc1cccc2ccccc12)C~    2.780
831-61-8 O=C(OCC)c1cc(O)c(O)c(O)c1~    1.300
831-71-0 O=[N+]([O-])c1oc(C=NNC(N)=S)cc1~    1.640
831-82-3 Oc2ccc(Oc1ccccc1)cc2~    3.350
832-69-9 c1ccc3c(c1)ccc2c3(cccc2C)~    5.080
832-71-3 c1ccc3c(c1)ccc2ccc(cc23)C~    5.150
833-50-1 n1c(oc2ccccc12)c3ccccc3~    3.670
834-12-8 n1c(nc(nc1NC(C)C)SC)NCC~    2.980
834-91-3 O=C1NC(=O)C(=C(N1)C)N(CCF)CCCl~    0.850
836-30-6 O=[N+]([O-])c1ccc(cc1)Nc2ccccc2~    3.740
838-89-1 O=C(Nc1cccc(c1)C(F)(F)F)N(OC)C~    2.640
841-06-5 n1c(nc(nc1NC(C)C)SC)NCCCOC~    2.820
846-49-1 O=C1Nc3ccc(cc3(C(=NC1(O))c2ccccc2Cl))Cl~    2.390
846-53-7 O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2SC))Cl~    2.990
847-25-6 O=C(NC(CO)C(O)c1ccc(cc1)S(=O)(=O)C)C(Cl)Cl~   -0.270
857-62-5 Fc1ccc(cc1)C(O)CCCN3CCN(c2ccccc2(OC))CC3~    3.400
862-26-0 O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)O)Cc2ccc(O)cc2)C(C)C~    2.430
865-21-4 O=C(OC2C(O)(C(=O)OC)C5N(c1cc(OC)c(cc1C45(CCN3CC=CC2(CC)C34))C9(C(=O)OC)(c7[nH]c6ccccc6c7CCN8CC(CC(O)(C8)CC)C9))C)C~    3.700
865-24-7 O=C(OC2C(O)(C(=O)OC)C5N(c1cc(OC)c(cc1C45(CCN3CC=CC2(CC)C34))C9(C(=O)OC)(c7[nH]c6ccccc6c7CCN8CC(CC(O)(C8)CC)C9))C)CN(C)C~    4.020
865-52-1 C[Ge](C)(C)C~    3.310
868-77-9 O=C(OCCO)C(=C)C~    0.470
869-01-2 O=NN(C(=O)N)CCCC~    1.040
872-05-9 C=CCCCCCCCC~    5.700
872-50-4 O=C1N(C)CCC1~   -0.380
872-85-5 O=Cc1ccncc1~    0.430
873-62-1 N#Cc1cccc(O)c1~    1.700
873-76-7 OCc1ccc(cc1)Cl~    1.960
874-41-9 c1cc(c(cc1C)C)CC~    4.470
877-22-5 O=C(O)c1cccc(OC)c1(O)~    1.940
877-95-2 O=C(NCCc1ccccc1)C~    1.190
881-07-2 O=[N+]([O-])c2cccc1ccc(nc12)C~    1.990
881-51-6 O=C(Nc1ccc(cc1[N+](=O)[O-])Cl)C~    1.780
882-06-4 O=C(O)C=Cc1ccc(cc1)[N+](=O)[O-]~    2.120
882-09-7 O=C(O)C(Oc1ccc(cc1)Cl)(C)C~    2.570
882-33-7 c1ccc(cc1)SSc2ccccc2~    4.410
883-93-2 n2c1ccccc1sc2c3ccccc3~    4.260
885-82-5 O=[N+]([O-])c1cc(ccc1(O))c2ccccc2~    3.710
886-50-0 n1c(nc(nc1NC(C)(C)C)SC)NCC~    3.740
886-59-9 O=C(Nc1ccccc1)NC2CCCCC2~    2.770
891-60-1 O=C(NCCN(CC)CC)c1ccc(N)c(c1)Cl~    1.700
919-86-8 O=P(OC)(OC)SCCSCC~    1.020
923-99-9 O(CCC)P(OCCC)OCCC~    2.260
924-16-3 O=NN(CCCC)CCCC~    2.630
924-46-9 O=NN(C)CCC~    0.560
925-15-5 O=C(OCCC)CCC(=O)OCCC~    2.160
925-57-5 O=C(OC)CCCO~   -0.060
925-76-8 O=C(C=C)NCCN(C)C~   -0.250
928-51-8 OCCCCCl~    0.850
929-17-9 O=C(O)CCCCCCN~   -3.030
929-77-1 O=C(OC)CCCCCCCCCCCCCCCCCCCCC~   10.200
930-36-9 n1cccn1C~    0.230
930-55-2 O=NN1CCCC1~   -0.190
930-68-7 O=C1C=CCCC1~    0.610
931-63-5 n1cccnc1OC~    0.230
932-17-2 O=C(N1C(=O)CCC1)C~   -0.050
932-83-2 O=NN1CCCCCC1~    0.920
933-67-5 c2cc1cc[nH]c1c(c2)C~    2.560
933-87-9 O=[N+]([O-])c1ncn(c1Br)C~    0.360
933-98-2 c1cc(c(c(c1)CC)C)C~    4.340
934-74-7 c1c(cc(cc1C)CC)C~    4.550
934-80-5 c1cc(c(cc1CC)C)C~    4.500
935-30-8 O=C1NCCCCCCC1~    0.670
936-02-7 O=C(NN)c1ccccc1(O)~    0.600
936-98-1 OCC2CC2(c1ccccc1)~    1.950
937-05-3 OC1CCC(CC1)C(C)(C)C~    3.060
938-22-7 O(c1c(cc(c(c1Cl)Cl)Cl)Cl)C~    4.750
938-33-0 n1cccc2cccc(OC)c12~    1.840
938-86-3 O(c1cc(c(c(c1Cl)Cl)Cl)Cl)C~    4.510
938-91-0 O=C(NC)N(c1ccccc1)C~    1.020
939-27-5 c1ccc2cc(ccc2(c1))CC~    4.380
939-48-0 O=C(OC(C)C)c1ccccc1~    3.180
940-36-3 O=C(OC)Nc1ccc(cc1)Cl~    2.550
940-43-2 O=C(NC)CCc1ccccc1~    1.170
940-64-7 O=C(O)COc1ccc(cc1)C~    1.860
942-24-5 O=C(OC)c2c[nH]c1ccccc12~    2.570
944-21-8 O=P(OCC)(CC)Sc1ccccc1~    2.110
944-61-6 O(c1c(OC)c(c(c(c1Cl)Cl)Cl)Cl)C~    4.860
945-51-7 O=S(c1ccccc1)c2ccccc2~    2.060
946-76-9 N#CC(C#N)=NNc1ccc(cc1)Cl~    3.390
947-84-2 O=C(O)c2ccccc2(c1ccccc1)~    2.890
949-67-7 O=C(OCC)C(N)Cc1ccc(O)cc1~    0.720
950-10-7 O=P(N=C1SCC(C)S1)(OCC)OCC~    1.040
950-37-8 O=C1N(N=C(OC)S1)CSP(OC)(OC)=S~    2.200
951-78-0 O=C1C=CN(C(=O)N1)C2OC(CO)C(O)C2~   -1.510
952-12-5 n1cccc2nc([nH]c12)c3ccc(cc3)C~    3.020
959-98-8 O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl~    3.830
961-11-5 O=P(OC(=CCl)c1cc(c(cc1Cl)Cl)Cl)(OC)OC~    3.530
961-22-8 O=C1c2ccccc2(N=NN1CSP(=O)(OC)OC)~    0.780
962-89-0 c1ccc(cc1)[Sn](c2ccccc2)(c3ccccc3)Br~    4.500
968-81-0 O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)C(=O)C~    2.440
969-99-3 O=S3c1ccccc1N(c2cc(ccc23)Cl)CCCN(C)C~    2.320
976-71-6 O=C1OC4(CC1)(CCC3C5C=CC2=CC(=O)CCC2(C)C5(CCC34(C)))~    2.680
982-24-1 OCCN4CCN(CCC=C2c1ccccc1Sc3ccc(cc23)Cl)CC4~    4.180
987-24-6 O=C(OCC(=O)C3(O)(C(C)CC2C4CCC1=CC(=O)C=CC1(C)C4(F)(C(O)CC23(C))))C~    2.770
992-62-1 O=C3OC(CC)C(O)(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(NC)C1(O))C(C)C(OC2OC(C)C(O)C(OC)(C)C2)C3C)C~    2.210
997-95-5 O=NN(CC(C)C)CC(C)C~    2.340
1000-36-8 O=P(OCCCCC)(OCCCCC)C~    3.740
1000-49-3 CCCC[Si](C)(C)C~    4.200
1002-53-5 CCCC[Sn]CCCC~    1.490
1002-57-9 O=C(O)CCCCCCCN~   -2.550
1003-29-8 O=Cc1ccc[nH]1~    0.640
1003-31-2 N#Cc1cccs1~    1.270
1004-36-0 O=C1C=C(OC(=C1)C)C~    0.100
1006-94-6 O(c1ccc2[nH]ccc2(c1))C~    2.060
1007-28-9 n1c(nc(nc1NCC)Cl)N~    1.150
1009-17-2 O=C(NCCN)c1ccccc1~    0.060
1009-61-6 O=C(c1ccc(cc1)C(=O)C)C~    1.340
1013-51-0 O=C(OC)Cn1c(ncc1[N+](=O)[O-])C~    0.170
1014-69-3 n1c(nc(nc1NC(C)C)SC)NC~    2.380
1014-70-6 n1c(nc(nc1NCC)SC)NCC~    2.800
1016-47-3 O=C(NCCc2c[nH]c1ccccc12)C~    1.410
1017-24-9 O=C(c1ccncc1)Cc2ccccc2~    1.350
1022-66-8 O=C3Nc1ccccc1CC3(c2ccccc2)~    2.930
1024-57-3 O1C2C1C(C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)Cl~    4.980
1031-07-8 O=S1(=O)(OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)~    3.660
1034-01-1 O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1~    3.660
1068-57-1 O=C(NN)C~   -1.580
1071-83-6 O=C(O)CNCP(=O)(O)O~   -4.000
1073-72-9 Oc1ccc(cc1)SC~    1.780
1074-17-5 c1ccc(c(c1)C)CCC~    4.500
1074-43-7 c1cc(cc(c1)CCC)C~    4.670
1074-55-1 c1cc(ccc1C)CCC~    4.600
1075-49-6 O=C(O)c1ccc(C=C)cc1~    2.180
1076-22-8 O=C1NC(=O)N(c2[nH]cnc12)C~   -0.500
1077-16-3 c1ccc(cc1)CCCCCC~    5.520
1078-71-3 c1ccc(cc1)CCCCCCC~    5.370
1080-06-4 O=C(OC)C(N)Cc1ccc(O)cc1~    0.290
1081-15-8 O=[N+]([O-])c1ccc(NN=C)c(c1)[N+](=O)[O-]~    2.330
1081-34-1 c3cc(c2ccc(c1cccs1)s2)sc3~    5.570
1081-77-2 c1ccc(cc1)CCCCCCCCC~    7.110
1082-23-1 O(c1ccc(c(OC)c1(OC))CC(N)C)C~    1.510
1082-88-8 O(c1cc(cc(OC)c1(OC))CC(N)C)C~    1.210
1083-09-6 O(c1cc(OC)c(cc1(OC))CC(N)C)C~    1.740
1083-27-8 O=C(OCCCCCC)c1ccc(O)cc1~    4.350
1083-41-6 O=C(OCCCC)c1cc(O)c(O)c(O)c1~    2.410
1083-59-6 O=[N+]([O-])c2oc(C=Cc1ncccn1)cc2~    1.340
1085-12-7 O=C(OCCCCCCC)c1ccc(O)cc1~    4.830
1085-98-9 O=S(=O)(N(c1ccccc1)SC(F)(Cl)Cl)N(C)C~    3.700
1087-26-9 O=C(OCCCCCC)c1cc(O)c(O)c(O)c1~    3.170
1090-16-0 O=C2c3ccccc3(C(=O)C(=C2(Nc1ccccc1))Cl)~    4.220
1113-02-6 O=C(NC)CSP(=O)(OC)OC~   -0.750
1114-71-2 O=C(N(CC)CCCC)SCCC~    3.830
1118-46-3 CCCC[Sn](Cl)(Cl)Cl~    0.410
1118-68-9 O=C(O)CN(C)C~   -2.910
1120-28-1 O=C(OC)CCCCCCCCCCCCCCCCCCC~    9.300
1120-34-9 O=C(OC)CCCCCCCCCCCC=CCCCCCCCC~    9.320
1120-87-2 n1ccc(cc1)Br~    1.540
1120-88-3 n1ncc(cc1)C~   -0.320
1120-90-7 n1cccc(c1)I~    1.800
1120-95-2 n1nc(ccc1)Cl~    0.100
1121-07-9 O=C1N(C(=O)CC1)C~   -0.950
1121-60-4 O=Cc1ncccc1~    0.440
1122-54-9 O=C(c1ccncc1)C~    0.480
1122-61-8 O=[N+]([O-])c1ccncc1~    0.330
1122-62-9 O=C(c1ncccc1)C~    0.850
1124-11-4 n1c(c(nc(c1C)C)C)C~    1.280
1126-46-1 O=C(OC)c1ccc(cc1)Cl~    2.870
1126-78-9 c1ccc(cc1)NCCCC~    3.580
1127-76-0 c1ccc2c(c1)cccc2CC~    4.400
1128-05-8 O=C(c1csc2ccccc12)C~    2.780
1128-78-5 O=C(Oc1ccccc1C)NC~    1.460
1129-37-9 O=[N+]([O-])c1ccc(C=NO)cc1~    1.950
1129-41-5 O=C(Oc1cccc(c1)C)NC~    1.700
1129-48-2 O=C(Oc1ccc(cc1)C)NC~    1.660
1131-64-2 N=C(N)N2Cc1ccccc1CC2~    0.750
1132-18-9 O=S(=O)(N)c1ccc(cc1)CCC~    1.640
1132-21-4 O=C(O)c1cc(OC)cc(OC)c1~    2.190
1134-23-2 O=C(N(CC)C1CCCCC1)SCC~    3.880
1134-47-0 O=C(O)CC(c1ccc(cc1)Cl)CN~   -0.960
1134-61-8 C(#Cc2ccc(c1cccs1)s2)C=C~    5.150
1134-87-8 O=C(C)C(C(=O)C)Cc1ccccc1~    1.890
1135-24-6 O=C(O)C=Cc1ccc(O)c(OC)c1~    1.510
1135-58-6 O=C(N)Nc1cccc(c1)NC(=O)N~    0.580
1137-96-8 [O-][N+](=Cc1ccccc1)c2ccccc2~    1.880
1138-58-5 O=S(=O)(N)c1ccc(OCCCC)cc1~    2.050
1138-60-9 O=C(OC(C)C)c1cc(O)c(O)c(O)c1~    1.540
1142-70-7 O=C1NC(=O)C(C(=O)N1)(CC(=C)Br)C(C)CC~    2.200
1145-46-6 O=S(=O)(N)c1ccc(OCCCCCC)cc1~    2.930
1148-79-4 n1ccccc1c2nc(ccc2)c3ncccc3~    1.960
1151-51-5 O=C(Nc1ccc(cc1)Cl)c2cc(cc(c2(O))Cl)Cl~    5.150
1152-72-3 O=C(OCC(C#Cc1ccc(C#CC#CC)s1)Cl)C~    4.600
1155-00-6 O=[N+]([O-])c1ccccc1SSc2ccccc2[N+](=O)[O-]~    3.370
1156-19-0 O=C(NN1CCCCCC1)NS(=O)(=O)c2ccc(cc2)C~    2.690
1164-13-2 O=S(=O)(Nc1nc(nc(OCC)c1)OCC)c2ccc(N)cc2~    2.400
1182-87-2 O=CC56(CCC(OC1OC(C)C(O)C(OC)C1(O))CC6(CCC3C5(CCC4(C)(C(C2=CC(=O)OC2)CCC34(O)))))~    1.050
1185-97-3 O=P(OC)(OC)C=C(Cl)Cl~    1.400
1188-09-6 O=C(OCCCOC(=O)C(=C)C)C(=C)C~    1.860
1190-48-3 O=CNCCCCC(N)C(=O)O~   -2.840
1192-62-7 O=C(c1occc1)C~    0.520
1193-62-0 O=C(OC)c1ccc[nH]1~    1.170
1193-82-4 O=S(c1ccccc1)C~    0.550
1195-16-0 O=C(NC1C(=O)SCC1)C~   -0.350
1196-01-6 O=C1C=C(C)C2CC1C2(C)(C)~    2.230
1197-19-9 N#Cc1ccc(cc1)N(C)C~    2.200
1197-50-8 ON=CCCc1ccccc1~    1.560
1198-55-6 Oc1c(O)c(c(c(c1Cl)Cl)Cl)Cl~    4.290
1199-98-0 O=C(N)CCCc1ccccc1~    1.410
1200-06-2 O=C(Oc1ccc(OC)cc1)C~    1.540
1201-56-5 OC(c1ccccc1)C(N(C)C)C~    1.700
1202-04-6 O=C(OC)c1cc2ccccc2([nH]1)~    2.450
1209-98-9 c1ccc(cc1)C3C(NCC)C2CCC3(C2)~    3.200
1214-32-0 O=[N+]([O-])c2ccc3c1ccc(N)cc1Cc3(c2)~    3.060
1216-40-6 O=C1NC(=O)C(C(=O)N1)(CC(=C)Br)C(C)CCC~    2.090
1220-83-3 O=S(=O)(Nc1ncnc(OC)c1)c2ccc(N)cc2~    0.700
1224-47-1 O=C(NN1CCCCC1)NS(=O)(=O)c2ccc(cc2)Cl~    0.840
1225-64-5 c1ccc3c(c1)N(c2cc(ccc2S3)Cl)CCCNC~    4.940
1228-19-9 O=C(NN1CCCCCC1)NS(=O)(=O)c2ccc(cc2)Cl~    1.640
1241-94-7 O=P(Oc1ccccc1)(Oc2ccccc2)OCC(CC)CCCC~    5.730
1401-69-0 O=CCC4CC(C(=O)C=CC(=CC(COC1OC(C)C(O)C(OC)C1(OC))C(OC(=O)CC(O)C(C)C4(OC3OC(C)C(OC2OC(C)C(O)C(O)(C)C2)C(N(C)C)C3(O)))CC)C)C~    1.630
1404-64-4 O=C(C=CC=1C(=O)NC(=O)NC=1C)NC(CO)CS(=O)CSC~   -1.710
1405-86-3 O=C(O)C7OC(OC1C(OC(C(=O)O)C(O)C1(O))OC3CCC4(C)(C5C(=O)C=C2C6CC(C(=O)O)(C)CCC6(C)(CCC2(C)C5(C)(CCC4(C3(C)(C))))))C(O)C(O)C7(O)~    2.800
1420-55-9 c1ccc3c(c1)N(c2cc(ccc2S3)SCC)CCCN4CCN(C)CC4~    5.410
1427-45-8 O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2C(F)(F)F))[N+](=O)[O-]~    2.510
1436-34-6 O1CC1CCCC~    1.950
1436-43-7 N#Cc1nc2ccccc2(cc1)~    1.600
1437-15-6 n1ccccc1C=Cc2ncccc2~    2.110
1441-44-7 n1cccc(c1)CCCCN(C)C~    1.490
1443-80-7 N#Cc1ccc(cc1)C(=O)C~    1.220
1451-20-3 O(c1cc(cc2OC(C)(C)C3CC=C(C)CC3(c12))CCCCC)C~    8.060
1453-82-3 O=C(N)c1ccncc1~   -0.280
1454-80-4 Nc1ccccc1c2ccccc2(N)~    1.340
1455-84-1 n1oc(nc1C)c2ncccc2~    0.890
1456-28-6 O=NN1CC(OC(C)C1)C~    0.320
1460-57-7 OC1CCCCC1(O)~    0.160
1461-23-0 CCCC[Sn](CCCC)(CCCC)Br~    5.070
1464-44-4 OCC2OC(Oc1ccccc1)C(O)C(O)C2(O)~   -0.820
1466-76-8 O=C(O)c1c(OC)cccc1(OC)~    0.660
1467-79-4 N#CN(C)C~   -0.150
1468-83-3 O=C(c1ccsc1)C~    1.240
1468-95-7 OCc2c3ccccc3(cc1ccccc12)~    3.040
1470-44-6 O=C2c3ccccc3(C(=O)C2(c1cccc(c1)Cl))~    3.610
1477-50-5 O=C(O)c1cc2ccccc2([nH]1)~    2.310
1483-24-5 O=C(c1ccccc1)N(N)C~    0.700
1498-96-0 O=C(O)c1ccc(OCCCC)cc1~    3.570
1499-10-1 c1ccc(cc1)c5c2ccccc2c(c3ccccc3)c4ccccc45~    8.460
1501-05-9 O=C(O)CCCC(=O)c1ccccc1~    1.490
1502-22-3 O=C1CCCCC1C2=CCCCC2~    3.170
1510-24-3 C(=Nc1ccc(cc1)c2ccccc2)=S~    4.660
1513-31-1 O=S(=O)(Nc1ccc(cc1)Cl)C(F)F~    2.840
1513-65-1 Fc1nc(F)ccc1~    1.170
1515-85-1 N#Cc1ccc(cc1)COC~    1.230
1517-63-1 OC(c1ccccc1)c2ccc(cc2)C~    3.130
1517-69-7 OC(c1ccccc1)C~    1.420
1538-74-5 O=C(OCCCC)Nc1ccccc1~    3.300
1542-59-2 Fc1ccc(cc1)N2C(=NC(=NC2(C)C)N)N~    0.370
1547-10-0 O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))C(F)(F)F~    0.490
1553-60-2 O=C(O)Cc1ccc(cc1)CC(C)C~    3.350
1558-17-4 n1cnc(cc1C)C~    0.620
1563-66-2 O=C(Oc2cccc1c2(OC(C)(C)C1))NC~    2.320
1565-17-9 O=C(c1ccc(cc1)S(=O)(=O)N)C~    0.200
1567-89-1 O=[N+]([O-])c1ccc(NN=C(C)C)c(c1)[N+](=O)[O-]~    3.050
1568-70-3 O=[N+]([O-])c1cc(OC)ccc1(O)~    2.020
1574-10-3 O=C(N)NN=Cc1ccccc1~    1.270
1574-41-0 C=CC=CC~    2.420
1576-17-6 O=C(Nc1ccccc1)N(OC)C~    1.290
1576-42-7 O=C(N)c1cccc(c1)S(=O)(=O)N~   -0.840
1582-09-8 O=[N+]([O-])c1cc(cc(c1N(CCC)CCC)[N+](=O)[O-])C(F)(F)F~    5.340
1582-75-8 O=C1OC4(CC1)(CCC3C5CCC2=CC(=O)CCC2(C)C5(F)(C(O)CC34(C)))~    2.400
1585-79-1 O=C(OCC)CN1C(=O)C=CC1(=O)~    0.490
1592-38-7 OCc1ccc2ccccc2(c1)~    2.210
1592-82-1 O=[N+]([O-])c1ccc(OP(OC)(OC)=S)cc1C(C)C~    4.050
1596-84-5 O=C(O)CCC(=O)NN(C)C~   -1.500
1606-67-3 Nc1ccc2ccc3cccc4ccc1c2c34~    4.310
1610-17-9 n1c(nc(nc1NCC)NC(C)C)OC~    2.690
1610-18-0 n1c(nc(nc1NC(C)C)NC(C)C)OC~    2.990
1611-38-7 O=C(C=Cc1ccc(F)cc1)C~    2.220
1611-63-8 O=C(Nc1ccccc1)NC2(C)(CCCCC2)~    3.600
1612-15-3 O=C(OCC)CC(n1nc2ccccc2(n1))C~    2.700
1615-06-1 O=S1(=O)(Nc2ccccc2(N1))~    1.120
1617-93-2 n1nc(oc1N)CCc2ccccc2~    1.190
1620-75-3 N#Cc1nc(ccc1)C~    0.840
1622-57-7 n1c(N)n(c2ccccc12)C~    0.950
1622-61-3 O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2Cl))[N+](=O)[O-]~    2.410
1622-62-4 O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2(F)))[N+](=O)[O-])C~    2.060
1623-19-4 O=P(OCC=C)(OCC=C)OCC=C~    1.760
1627-73-2 N(=Cc1ccccc1)NC(N)=S~    1.860
1632-76-4 n1nc(ccc1)C~   -0.350
1633-44-9 N#Cc1cnccc1(C#N)~    0.240
1634-04-4 O(C)C(C)(C)C~    0.940
1636-33-5 C(=Nc1ccc2ccccc2(c1))=S~    4.340
1638-22-8 Oc1ccc(cc1)CCCC~    3.650
1639-32-3 O=C(Nc1ccc(c(c1C)C)C)C~    1.760
1642-81-5 O=C(O)c1ccc(cc1)CCl~    2.120
1643-15-8 O=C(O)COc1cccc(c1)C~    1.780
1643-16-9 O=C(O)COc1ccc(cc1)C(C)C~    2.690
1646-88-4 O=C(ON=CC(C)(C)S(=O)(=O)C)NC~   -0.570
1649-18-9 O=C(c1ccc(F)cc1)CCCN3CCN(c2ncccc2)CC3~    3.300
1668-19-5 O3c1ccccc1C(=CCCN(C)C)c2ccccc2C3~    4.290
1670-14-0 N=C(N)c1ccccc1~    0.650
1670-84-4 O=C(N)c1cc2ccccc2([nH]1)~    1.610
1670-86-6 O=C(N)c2cccc1[nH]ccc12~    0.660
1670-87-7 O=C(N)c1ccc2[nH]ccc2(c1)~    0.870
1671-82-5 O=[N+]([O-])c1nccn1C~   -0.170
1672-46-4 O=C1OCC(=C1)C3CCC4(O)(C5CCC2CC(O)CCC2(C)C5(CC(O)C34(C)))~    1.100
1675-02-1 O=C3OC(CC)C(O)(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1(O))C(C)C(OC2OC(C)C(O)C(O)(C)C2)C3C)C~    1.260
1678-91-7 CCC1CCCCC1~    4.560
1680-44-0 n1nc(c[nH]1)c2ccccc2~    1.910
1689-09-4 O=C1OC(c2ccccc12)(C)C~    1.730
1689-83-4 N#Cc1cc(c(O)c(c1)I)I~    3.430
1689-99-2 N#Cc1cc(c(OC(=O)CCCCCCC)c(c1)Br)Br~    6.100
1696-17-9 O=C(c1ccccc1)N(CC)CC~    1.250
1698-62-0 O=C1C(=C(C=NN1c2ccccc2)NC)Cl~    1.190
1701-69-5 O=C(c1ccncc1)CC~    0.770
1702-17-6 O=C(O)c1nc(ccc1Cl)Cl~    1.060
1709-52-0 O=S(=O)(NC)c1ccc(N)cc1~   -0.010
1722-12-9 n1cccnc1Cl~    0.360
1726-94-9 C(=NC(c1ccccc1)(c2ccccc2)c3ccccc3)=S~    7.020
1730-37-6 c1ccc3c(c1)c2cccc(c2C3)C~    4.970
1731-84-6 O=C(OC)CCCCCCCC~    4.320
1732-08-7 O=C(OC)CCCCCC(=O)OC~    1.380
1737-06-0 O=C(Nc1ccc(OC(F)(F)F)cc1)C~    2.620
1740-57-4 O=C(N)c1cccc(c1)C(=O)N~   -0.210
1746-01-6 O1c3cc(c(cc3(Oc2cc(c(cc12)Cl)Cl))Cl)Cl~    6.800
1746-13-0 O(c1ccccc1)CC=C~    2.940
1746-25-4 n1c([nH]c(c1I)I)I~    2.780
1746-81-2 O=C(Nc1ccc(cc1)Cl)N(OC)C~    2.300
1747-53-1 O=C(OCC)C1=CC(=O)NC(=O)N1~    0.680
1752-26-7 O=C(O)C3N2C(=O)C(NC(=O)CCOc1ccccc1)C2SC3(C)(C)~    2.280
1752-96-1 O=C(Nc1ccccc1)c2cnccc2~    1.730
1758-88-9 c1cc(c(cc1C)CC)C~    4.430
1759-02-0 O=C(Oc1ccc(cc1)Cl)N2CCCC2~    3.380
1759-53-1 O=C(O)C1CC1~    0.630
1762-26-1 CC[Pb](C)(C)C~    3.880
1762-27-2 CC[Pb](C)(C)CC~    4.040
1783-81-9 Nc1cccc(c1)SC~    1.450
1798-03-4 O=C(O)COc1ccccc1CC~    2.530
1798-06-7 O=C(O)Cc1ccc(cc1)I~    2.640
1798-09-0 O=C(O)Cc1cccc(OC)c1~    1.500
1798-11-4 O=C(O)COc1ccc(cc1)[N+](=O)[O-]~    1.480
1798-99-8 O=C(O)COc1cccc(c1)Br~    2.220
1801-72-5 O=C(NCC=C)NCC=C~    0.640
1817-47-6 O=[N+]([O-])c1ccc(cc1)C(C)C~    3.450
1821-33-6 O=C(Nc1ccccc1)NC(=O)c2ccccc2~    3.390
1824-46-0 O=S(=O)(N)c1cc2c(cc1C)NCNS2(=O)(=O)~   -0.220
1824-50-6 O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))Cc3ccccc3~    0.930
1825-21-4 O(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)C~    5.450
1825-30-5 c2cc1c(cccc1Cl)c(c2)Cl~    4.670
1825-31-6 c1ccc2c(c1)c(ccc2Cl)Cl~    4.660
1826-11-5 n1ccsc1c2ccccc2~    2.770
1829-37-4 O=C(Oc1ccccc1Br)C~    2.200
1832-68-4 O=P(OCCCCCCCC)(OCCCCCCCC)C~    6.130
1836-75-5 O=[N+]([O-])c2ccc(Oc1ccc(cc1Cl)Cl)cc2~    4.640
1836-77-7 O=[N+]([O-])c2ccc(Oc1c(cc(cc1Cl)Cl)Cl)cc2~    4.970
1861-32-1 O=C(OC)c1c(c(c(C(=O)OC)c(c1Cl)Cl)Cl)Cl~    4.280
1861-40-1 O=[N+]([O-])c1cc(cc(c1N(CC)CCCC)[N+](=O)[O-])C(F)(F)F~    5.290
1867-66-9 O=C2CCCCC2(NC)(c1ccccc1Cl)~    2.180
1871-96-1 N#CCCCCCCCCC#N~    1.750
1874-12-0 O=C(OCC)C=Cc1oc(cc1)[N+](=O)[O-]~    2.100
1874-22-2 O=CC=Cc1oc(cc1)[N+](=O)[O-]~    0.960
1874-24-4 O=C(OC)C=Cc1oc(cc1)[N+](=O)[O-]~    1.650
1877-71-0 O=C(O)c1cccc(c1)C(=O)OC~    1.830
1877-73-2 O=C(O)Cc1cccc(c1)[N+](=O)[O-]~    1.450
1877-75-4 O=C(O)COc1ccc(OC)cc1~    1.230
1878-49-5 O=C(O)COc1ccccc1C~    1.980
1878-51-9 O=C(O)COc1cccc(c1)CC~    2.250
1878-52-0 O=C(O)COc1cccc(c1)C(C)C~    2.590
1878-53-1 O=C(O)COc1cccc(c1)CCCC~    3.180
1878-55-3 O=C(O)COc1cccc(c1)C(C)(C)C~    2.960
1878-56-4 O=C(O)COc1ccc(cc1)C2CCCCC2~    3.790
1878-57-5 O=C(O)COc1cccc(c1)c2ccccc2~    3.180
1878-58-6 O=C(O)COc1ccc2c(c1)CCC2~    2.330
1878-59-7 O=C(O)COc1ccc2c(c1)CCCC2~    2.670
1878-61-1 O=C(O)c1cccc(OCC(=O)O)c1~    1.110
1878-62-2 O=C(O)COc1ccccc1(C(=O)C)~    1.250
1878-65-5 O=C(O)Cc1cccc(c1)Cl~    2.090
1878-66-6 O=C(O)Cc1ccc(cc1)Cl~    2.120
1878-69-9 O=C(O)Cc1cccc(c1)I~    2.620
1878-71-3 N#Cc1cccc(c1)CC(=O)O~    1.180
1878-82-6 N#Cc1ccc(OCC(=O)O)cc1~    0.930
1878-83-7 O=C(O)COc1cccc(O)c1~    0.760
1878-84-8 O=C(O)COc1ccc(O)cc1~    0.650
1878-87-1 O=C(O)COc1ccccc1[N+](=O)[O-]~    1.130
1878-89-3 O=C(O)COc1cccc(c1)NC(=O)c2ccccc2~    1.990
1878-91-7 O=C(O)COc1ccc(cc1)Br~    2.450
1878-92-8 O=C(O)COc1ccccc1I~    2.330
1878-93-9 O=C(O)COc1cccc(c1)I~    2.440
1879-56-7 O=C(O)COc1ccccc1Br~    2.040
1879-77-2 O=C1C=CC3(C(=C1)CCC2C4CC(C)C(O)(C(=O)C)C4(C)(CC(O)C23(F)))(C)~    2.350
1882-26-4 O=C(OCc1nc(ccc1)COC(=O)NC)NC~    0.240
1883-15-4 O=P(O)(O)Oc1cnc(c(O)c1CO)C~   -0.640
1885-38-7 N#CC=Cc1ccccc1~    1.960
1891-90-3 O=C(N)c1ccc(cc1)C(F)(F)F~    1.710
1893-33-0 O=C(N)C3(N1CCCCC1)(CCN(CCCC(=O)c2ccc(F)cc2)CC3)~    2.020
1897-45-6 N#Cc1c(c(C#N)c(c(c1Cl)Cl)Cl)Cl~    3.050
1899-48-5 n1c(nc2ccccc2(c1N))N~    1.000
1899-94-1 O=S(=O)(N)c1cccc(c1)C~    0.850
1912-24-9 n1c(nc(nc1NC(C)C)Cl)NCC~    2.610
1912-25-0 n1c(nc(nc1N(CC)CC)Cl)NC(C)C~    3.940
1912-26-1 n1c(nc(nc1N(CC)CC)Cl)NCC~    3.340
1918-00-9 O=C(O)c1c(OC)c(ccc1Cl)Cl~    2.210
1918-16-7 O=C(N(c1ccccc1)C(C)C)CCl~    2.180
1918-18-9 O=C(OC)Nc1ccc(c(c1)Cl)Cl~    3.320
1929-29-9 O=C(O)CCc1ccc(OC)cc1~    1.900
1929-77-7 O=C(N(CCC)CCC)SCCC~    3.840
1929-82-4 n1c(cccc1Cl)C(Cl)(Cl)Cl~    3.410
1934-92-5 O=C(c1ccccc1)N(c2ccccc2)C~    2.360
1942-48-9 O=C(CC(=O)CCCC)CCCC~    3.560
1943-79-9 O=C(Oc1ccccc1)NC~    1.240
1943-87-9 O=C(OC)Nc1ccc(cc1)[N+](=O)[O-]~    2.120
1951-25-3 O=C(c1cc(c(OCCN(CC)CC)c(c1)I)I)c2c3ccccc3(oc2CCCC)~    7.800
1951-56-0 O=C(C=Cc1oc(cc1)[N+](=O)[O-])NC(C)C~    1.340
1953-33-9 O=C1NC(=O)C(C(=O)N1)CCCC~    0.770
1953-54-4 Oc1ccc2[nH]ccc2(c1)~    1.110
1959-97-3 O=C1N(c3ccc(F)cc3(C(=NC1)c2ccc(cc2)Cl))C~    3.100
1962-75-0 O=C(OCCCC)c1ccc(cc1)C(=O)OCCCC~    5.530
1967-25-5 O=C(N)Nc1ccc(cc1)Br~    1.980
1967-27-7 O=C(N)Nc1cccc(c1)Cl~    1.820
1972-71-0 O=C(NC(=O)c1ccccc1(O))c2ccccc2(O)~    1.920
1978-59-2 Fc1ccc(cc1)C2=CCNCC2~    2.370
1982-37-2 c1ccc3c(c1)N(c2ccccc2S3)CC4CN(C)CC4~    5.230
1982-47-4 O=C(Nc2ccc(Oc1ccc(cc1)Cl)cc2)N(C)C~    3.700
1984-65-2 O(c1c(cccc1Cl)Cl)C~    3.140
1991-78-2 O=C(O)C(N)Cc1ccc(cc1)Cl~   -0.480
2002-29-1 O=C1C=CC3(C(=C1)C(F)CC2C4CC(C)C(O)(C(=O)COC(=O)C(C)(C)C)C4(C)(CC(O)C23(F)))(C)~    3.860
2002-36-0 n2cnc1c(ncn1CCCCC)c2N~    1.790
2008-41-5 O=C(N(CC(C)C)CC(C)C)SCC~    4.150
2008-58-4 O=C(N)c1c(cccc1Cl)Cl~    0.770
2008-73-3 O=C(Nc1ccccc1)Nc2ccc(c(c2)Cl)Cl~    4.700
2011-57-6 O=C(Nc1ccc(O)c(c1C)C)C~    0.570
2021-26-3 O=C1NC(=O)c2cc(ccc12)c3ccccc3~    2.970
2024-34-2 O=C1N(c3ccc(F)cc3(C(=NC1)c2ccccc2(F)))C~    2.410
2027-47-6 O=C(O)CCCCCCCC=CCCCCCCCC~    7.640
2029-64-3 O=C(OCCCCCCCC)N~    2.840
2030-63-9 N=3c1ccccc1N(c2ccc(cc2)Cl)C4=CC(=NC(C)C)C(=CC=34)Nc5ccc(cc5)Cl~    7.660
2035-15-6 Oc5ccc1c(OCC2c3cc4OCOc4(cc3(OC12)))c5~    2.610
2036-41-1 n1cncc(c1)C~    0.010
2038-57-5 NCCCc1ccccc1~    1.830
2038-62-2 FCCCc1ccccc1~    2.950
2042-14-0 O=[N+]([O-])c1cc(O)ccc1C~    2.180
2046-18-6 N#CCCCc1ccccc1~    2.210
2046-19-7 O=C(O)C(N)CCCc1ccccc1~   -0.360
2046-21-1 O=C(OC)CCCCC(=O)C~    0.550
2046-23-3 O=C(C)CCC1CC1~    1.500
2050-43-3 O=C(Nc1ccc(cc1C)C)C~    1.460
2050-73-9 c2cc1ccc(cc1c(c2)Cl)Cl~    4.560
2050-74-0 c2cc1cccc(c1c(c2)Cl)Cl~    4.300
2050-85-3 O=C(Nc1ccccc1(NC(=O)C))C~   -0.030
2051-24-3 c2(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c(c(c(c(c2Cl)Cl)Cl)Cl)Cl~    8.270
2051-60-7 c1ccc(cc1)c2ccccc2Cl~    4.530
2051-95-8 O=C(O)CCC(=O)c1ccccc1~    1.300
2052-14-4 O=C(OCCCC)c1ccccc1(O)~    4.630
2055-14-3 n1cccc(c1)CN(CC)CC~    1.010
2055-21-2 n1cccc(c1)CN(C)C~    0.490
2055-46-1 N1C(NCCC1)=S~   -0.680
2058-74-4 O=C1C(=O)N(c2ccccc12)C~    0.580
2059-76-9 C(=Nc1ccc(cc1)I)=S~    4.220
2060-58-4 OCC(C=CC#CC#CC#CC=CC)Cl~    3.910
2065-23-8 O=C(OC)COc1ccccc1~    1.410
2065-37-4 O=C1C=C(C(=O)c2ccccc12)Br~    2.440
2077-99-8 O=[N+]([O-])c1cc(cc(c1(NCCC))[N+](=O)[O-])C(F)(F)F~    3.650
2078-54-8 Oc1c(cccc1C(C)C)C(C)C~    3.790
2084-13-1 O=C(O)c1cccc(c1)CC(=O)O~    1.140
2088-24-6 O=C(O)COc1cccc(OC)c1~    1.380
2104-64-5 O=[N+]([O-])c2ccc(OP(OCC)(c1ccccc1)=S)cc2~    4.780
2104-96-3 O(c1cc(c(cc1Cl)Br)Cl)P(OC)(OC)=S~    5.210
2113-47-5 O=C(Nc2ccccc2(c1ccccc1))C~    2.020
2113-58-8 O=[N+]([O-])c1cccc(c1)c2ccccc2~    3.870
2114-20-7 O=C(OCCCCCC)N~    1.850
2122-63-6 O=C(O)c1ccc(N)c(c1)I~    2.360
2124-31-4 O=C(c1ccc(cc1)N(C)C)C~    2.100
2131-41-1 c1cc2c(c(c1)C)c(ccc2C)C~    4.900
2131-55-7 C(=Nc1ccc(cc1)Cl)=S~    3.910
2131-59-1 C(=Nc1cccc(c1)Br)=S~    4.120
2131-60-4 Oc1ccc(N=C=S)cc1~    2.740
2131-62-6 O=C(O)c1ccc(N=C=S)cc1~    3.520
2131-64-8 C(=Nc1ccc(cc1)N(C)C)=S~    3.960
2135-17-3 O=C1C=CC3(C(=C1)C(F)CC2C4CC(C)C(O)(C(=O)CO)C4(C)(CC(O)C23(F)))(C)~    1.940
2136-99-4 c2c(c(c(c1c(c(cc(c1Cl)Cl)Cl)Cl)c(c2Cl)Cl)Cl)Cl~    7.730
2140-61-6 O=C1N=C(N)C(=CN1C2OC(CO)C(O)C2(O))C~   -2.010
2142-68-9 O=C(c1ccccc1Cl)C~    2.090
2143-80-8 O=C(C=Cc1ccccc1(F))C~    2.340
2144-41-4 O1C(C)CCC1C~    1.280
2150-88-1 O=C(OC)Nc1cccc(c1)Cl~    2.580
2150-93-8 O=C(Nc1ccc(c(c1)Cl)Cl)C~    3.000
2150-95-0 O=C(Nc1ccc(c(c1)Cl)Cl)CCC~    3.770
2150-96-1 O=C(Nc1ccc(c(c1)Cl)Cl)CCCC~    4.170
2152-44-5 O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CCCC)(C(=O)CO)C4(C)(CC(O)C23(F)))(C)~    3.600
2156-14-1 O=C3c4ccccc4(C(=O)C3(c1ccc(cc1)c2ccccc2))~    4.790
2169-64-4 O=C1C=NN(C(=O)N1)C2OC(COC(=O)C)C(OC(=O)C)C2(OC(=O)C)~   -0.200
2176-16-1 O(c2cc(cc(OC)c2(OCc1ccccc1))CCN)C~    2.400
2176-62-7 n1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl~    3.530
2189-60-8 c1ccc(cc1)CCCCCCCC~    6.300
2189-61-9 O=C(OC)Nc1cccc(c1)[N+](=O)[O-]~    2.000
2198-53-0 O=C(Nc1c(cccc1C)C)C~    1.070
2198-54-1 O=C(Nc1ccc(c(c1)C)C)C~    2.100
2198-77-8 c1cc(cc2cc(ccc12)Cl)Cl~    4.810
2199-43-1 O=C(OCC)c1ccc[nH]1~    1.730
2199-49-7 O=C(OCC)c1c[nH]cc1C~    2.140
2211-33-8 O=C2NC(=O)N(c1ccccc1)C2(=O)~    0.600
2212-67-1 O=C(N1CCCCCC1)SCC~    3.210
2213-43-6 NN1CCCCC1~   -0.280
2213-85-6 O=P(Oc1cc(c(cc1Cl)Cl)Cl)(OC)NCCC~    3.700
2214-53-1 N#Cc1ccnc(c1)C~    0.810
2215-77-2 O=C(O)c2ccc(Oc1ccccc1)cc2~    3.910
2216-69-5 O(c1cccc2ccccc12)C~    3.450
2217-02-9 OC2C(C)(C)C1CCC2(C)(C1)~    3.170
2217-08-5 O=C1NC(=O)C(C(=O)N1)(CCC)CCC~    1.750
2221-13-8 O=C2NCC(=O)N2(c1ccccc1)~    0.040
2227-79-4 NC(c1ccccc1)=S~    1.490
2235-83-8 O=C(C)CCCc1ccccc1~    2.420
2240-28-0 O=C1C=CC3(C(=C1)CCC2C4CC(C)C(O)(C(=O)COC(=O)CCCC)C4(C)(CC(O)C23(F)))(C)~    3.870
2240-41-7 O=P(OC)(OC)c1ccccc1~    0.950
2240-88-2 FC(F)(F)CCO~    0.390
2243-42-7 O=C(O)c2ccccc2(Oc1ccccc1)~    3.110
2243-62-1 Nc1cccc2c(N)cccc12~    0.890
2252-63-3 Fc1ccc(cc1)N2CCNCC2~    1.280
2255-17-6 O=[N+]([O-])c1ccc(OP(=O)(OC)OC)cc1C~    1.690
2256-16-8 O=C(NC(C(O)C)C1OC(C(O)C(O)C1(O))SC)C2NCC(CCC)C2~    0.040
2256-17-9 O=C(NC(C(O)C)C1OC(C(O)C(O)C1(O))SC)C2N(CC)CC(CCC)C2~    1.020
2257-09-2 C(=NCCc1ccccc1)=S~    3.470
2259-96-3 O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))C4CC3C=CC4(C3)~    1.950
2265-94-3 O=[N+]([O-])c1cc(F)cc(F)c1~    2.030
2270-20-4 O=C(O)CCCCc1ccccc1~    2.940
2274-01-3 O=C(N)NC(=O)C(CC)CC~    0.910
2274-42-2 N#CCS(=O)(=O)C~   -1.420
2274-67-1 O=P(OC(=CCl)c1ccc(cc1Cl)Cl)(OC)OC~    3.130
2284-20-0 C(=Nc1ccc(OC)cc1)=S~    3.580
2295-35-4 N1C(CCC1)=S~   -0.050
2298-99-9 O=C1C=C(OC(=C1(O))C)C~    0.440
2301-40-8 O=C1NCC(=O)N1Cc2ccccc2~    0.820
2303-17-5 O=C(N(C(C)C)C(C)C)SCC(=C(Cl)Cl)Cl~    4.600
2303-25-5 O=[N+]([O-])c2ccc(Oc1cccc(c1)C)cc2~    4.400
2307-68-8 O=C(Nc1ccc(c(c1)Cl)C)C(C)CCC~    4.310
2310-17-0 O=C2Oc1cc(ccc1N2CSP(OCC)(OCC)=S)Cl~    4.380
2312-35-8 O=S(OCC#C)OC2CCCCC2(Oc1ccc(cc1)C(C)(C)C)~    5.000
2314-79-6 O=C2N(c1ccc(cc1)C)C(=O)CC2~    0.580
2314-80-9 O=C2N(c1ccc(OC)cc1)C(=O)CC2~    0.150
2315-68-6 O=C(OCCC)c1ccccc1~    3.010
2316-26-9 O=C(O)C=Cc1ccc(OC)c(OC)c1~    2.340
2316-64-5 Oc1ccc(cc1CO)Br~    1.720
2327-02-8 O=C(N)Nc1ccc(c(c1)Cl)Cl~    2.650
2338-10-5 n1[nH]nc2c1c(c(c(c2Cl)Cl)Cl)Cl~    4.170
2338-12-7 O=[N+]([O-])c1ccc2[nH]nnc2(c1)~    1.950
2338-25-2 FC(F)(F)c1nc2cc(c(cc2([nH]1))Cl)Cl~    3.490
2338-27-4 FC(F)(F)c2nc1c(cc(c(c1Cl)Cl)Cl)[nH]2~    3.870
2338-30-9 FC(F)(F)c1nc2c([nH]1)c(c(c(c2Br)Br)Br)Br~    4.810
2345-34-8 O=C(O)c1ccc(OC(=O)C)cc1~    1.480
2348-81-4 O=C1C=C(N)C(=O)c2ccccc12~    1.770
2362-62-1 NC(c1ccc(cc1)C)=S~    2.010
2362-64-3 O(c1ccc(cc1)C(N)=S)C~    1.630
2365-30-2 O=NN(C(=O)N)CCCl~    0.570
2366-52-1 FCCCC~    2.580
2373-80-0 O=C(O)C=Cc1ccc2OCOc2(c1)~    2.590
2374-03-0 O=C(O)c1ccc(N)c(O)c1~    0.500
2380-78-1 Oc1ccc(cc1(OC))CCO~    0.470
2385-77-5 O=CCC(C)CCC=C(C)C~    3.830
2385-85-5 C13(C4(C2(C5(C(C1(C2(Cl)Cl)Cl)(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl~    7.180
2387-16-8 c1ccc(cc1)C(c2ccccc2)C(Cl)Cl~    4.510
2388-47-8 O=P(Oc1cc(c(cc1Cl)Cl)Cl)(OC)NC(C)CC~    3.990
2389-37-9 O=C(Nc1ccccc1)c2cc(ccc2(O))[N+](=O)[O-]~    3.660
2392-68-9 C(=Nc1cccc(c1)Cl)=S~    3.360
2398-37-0 O(c1cccc(c1)Br)C~    3.030
2400-00-2 c1ccc(cc1)C(CC)CCCCCCCCC~    8.100
2402-77-9 n1cccc(c1Cl)Cl~    2.110
2402-78-0 n1c(cccc1Cl)Cl~    2.150
2402-79-1 n1c(c(cc(c1Cl)Cl)Cl)Cl~    3.320
2404-73-1 O=P(OCCCC)(OCCCC)C~    3.260
2410-24-4 O=C(O)C(N)Cc1ccc(N)cc1~   -2.200
2425-06-1 O=C1N(C(=O)C2CC=CCC12)SC(C(Cl)Cl)(Cl)Cl~    3.800
2425-10-7 O=C(Oc1ccc(c(c1)C)C)NC~    2.090
2426-08-6 O(CCCC)CC1OC1~    0.630
2427-90-9 O=C(OCC)c1nccnc1(C(=O)OCC)~    0.650
2436-66-0 O=C1c2ccccc2(N=CN1C)~    0.690
2437-49-2 Oc1c(cc(c(O)c1Br)Br)Br~    4.370
2437-79-8 c1cc(cc(c1c2ccc(cc2Cl)Cl)Cl)Cl~    6.290
2438-05-3 O=C(O)c1ccc(cc1)CCC~    3.420
2438-76-8 O=S(=O)(N)c1cnccc1~   -0.490
2439-01-2 O=C2Sc1nc3ccc(cc3(nc1S2))C~    3.780
2439-77-2 O=C(N)c1ccccc1(OC)~    0.860
2440-79-1 O=C(OC)C(NC(=O)C)Cc1ccc(O)cc1~    0.330
2443-62-1 O=C(NN)CCCCC~    0.480
2444-89-5 O(c1ccc(cc1)Cl)c2ccc(cc2)Cl~    5.250
2446-62-0 O=C1c3ccccc3(N=C2N1CCCC2)~    1.520
2450-08-0 O=C(OC)c1ncncc1~   -0.270
2454-39-9 Nc1ccccc1C(N)=S~    0.990
2455-15-4 O(c1cccc(c1)C)CCN(C)C~    2.050
2459-07-6 O=C(OC)c1ncccc1~    0.360
2460-49-3 Oc1cc(c(cc1(OC))Cl)Cl~    3.260
2463-84-5 O=[N+]([O-])c1ccc(OP(OC)(OC)=S)c(c1)Cl~    3.580
2466-76-4 O=C(n1cncc1)C~   -0.340
2481-53-0 O=C(C=Cc1cccc(F)c1)C~    2.250
2486-02-4 O=C(OCCC(C)C)c1cc(O)c(O)c(O)c1~    2.800
2486-77-3 O=C(O)c1ccc(N)cc1(OCC=C)~    1.250
2486-79-5 O=C(O)c1ccc(N)cc1(OCCC)~    1.530
2488-78-0 O=C1OCC(=C1)C3CCC4(O)(C5CCC2CC(OS(=O)(=O)O)CCC2(C)C5(CCC34(C)))~   -0.180
2489-77-2 N(C(N(C)C)=S)C~    0.100
2492-87-7 O=[N+]([O-])c2ccc(OC1OC(CO)C(O)C(O)C1(O))cc2~   -0.340
2497-06-5 O=S(=O)(CC)CCSP(OCC)(OCC)=S~    1.870
2497-07-6 O=S(CC)CCSP(OCC)(OCC)=S~    1.730
2498-66-0 O=C1c4ccccc4(C(=O)c2c3ccccc3(ccc12))~    4.400
2504-18-9 O=NN(C)C(C)(C)C~    0.810
2510-86-3 O=P(Oc1ccccc1)(OCC)OCC~    1.640
2511-10-6 O=P(OCC)(C)SCC~    0.710
2511-17-3 O=P(N(C)C)(N(C)C)C~   -0.670
2516-95-2 O=C(O)c1cc(ccc1[N+](=O)[O-])Cl~    2.130
2518-42-5 [O-][n+]1onc(c1C)C~    0.230
2518-72-1 O=C1NC(=O)C(C(=O)N1)CC~   -0.350
2524-52-9 O=C(OCC)c1ncccc1~    0.870
2525-05-5 Oc1ccc(cc1(O))CCCC~    2.960
2527-99-3 O=C(OC)c1oc(cc1)Br~    1.840
2528-36-1 O=P(Oc1ccccc1)(OCCCC)OCCCC~    4.270
2530-26-9 O=[N+]([O-])c1cnccc1~    0.600
2531-84-2 c1ccc3c(c1)ccc2cc(ccc23)C~    4.860
2534-77-2 C1CC2CC1CC2Br~    3.540
2539-17-5 Oc1c(OC)c(c(c(c1Cl)Cl)Cl)Cl~    4.590
2539-26-6 Oc1c(OC)c(c(c(c1(OC))Cl)Cl)Cl~    3.740
2540-82-1 O=CN(C(=O)CSP(OC)(OC)=S)C~    1.480
2550-28-9 O=C(C)CCC#C~    0.580
2553-19-7 O(CC)[Si](OCC)(c1ccccc1)c2ccccc2~    4.920
2557-81-5 FS(F)(F)(F)(F)c1ccccc1~    3.360
2565-47-1 O=C1NC(=O)CC(=O)N1C~   -0.850
2571-81-5 O=C1OC2C(C1(=C))CCC(C)C3(O)(CCC(=O)C23(C))~    0.830
2581-34-2 O=[N+]([O-])c1ccc(O)cc1C~    2.480
2588-03-6 O=S(CC)CSP(OCC)(OCC)=S~    1.780
2588-06-9 O=P(OCC)(OCC)SCS(=O)(=O)CC~    1.980
2594-17-4 O=C(OCCCCC)NC~    1.960
2597-03-7 O=C(OCC)C(c1ccccc1)SP(OC)(OC)=S~    3.690
2603-10-3 O=C(OC)Nc1ccccc1~    1.750
2604-08-2 O=[N+]([O-])C=Cc1ccc(cc1)N(C)C~    2.670
2618-96-4 O=S(=O)(NS(=O)(=O)c1ccccc1)c2ccccc2~    0.520
2620-63-5 O=C(N)CNC(=O)C~   -1.830
2623-33-8 O=C(Oc1ccc(cc1)NC(=O)C)C~    1.050
2626-83-7 O=C(Oc1ccc(cc1)C(C)(C)C)NC~    3.060
2627-77-2 O=C(Nc1ccc(cc1)Br)c2ccccc2(O)~    4.510
2628-58-2 c1ccc(cc1)C(N(c2ccccc2)C)=S~    3.120
2629-72-3 OCCCc1ccncc1~    0.580
2631-30-3 O=C(Oc1ccc(cc1)CC)NC~    2.230
2631-37-0 O=C(Oc1cc(cc(c1)C(C)C)C)NC~    3.100
2631-39-2 O=C(Oc1cccc(c1)N(C)C)NC~    1.430
2636-26-2 N#Cc1ccc(OP(OC)(OC)=S)cc1~    2.710
2642-71-9 O=C1c2ccccc2(N=NN1CSP(OCC)(OCC)=S)~    3.400
2642-98-0 Nc1cc3c4ccccc4(ccc3(c2ccccc12))~    4.990
2644-96-4 O=C(OC)CNC(=O)c1ccc(cc1)[N+](=O)[O-]~    0.980
2648-00-2 O=C1Nc3ccc(F)cc3(C(=NC1)c2ccccc2)~    2.320
2652-13-3 O([Si](O[Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)(C)C)(C)C)[Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)(C)C~    8.300
2670-77-1 O(c1ccc(cc1C)SC)P(OCC)(OCC)=S~    4.160
2686-99-9 O=C(Oc1cc(c(c(c1)C)C)C)NC~    2.660
2687-91-4 O=C1N(CC)CCC1~   -0.040
2687-96-9 O=C1N(CCC1)CCCCCCCCCCCC~    4.200
2688-84-8 O(c1ccccc1)c2ccccc2(N)~    2.460
2689-07-8 O(c1ccccc1)c2ccccc2Cl~    4.450
2693-46-1 Nc2ccc4c1ccccc1c3cccc2c34~    4.200
2702-58-1 O=C(OC)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]~    1.840
2706-56-1 n1ccccc1CCN~    0.080
2709-56-0 FC(F)(F)c1ccc4c(c1)C(=CCCN2CCN(CCO)CC2)c3ccccc3S4~    4.340
2715-70-0 n2cnc1c(ncn1CCCC)c2N~    1.250
2719-08-6 O=C(OC)c1ccccc1(NC(=O)C)~    1.650
2719-21-3 O=C(Nc1ccc(cc1)C(=O)C)C~    1.240
2719-23-5 O=C(Nc1nccs1)C~    0.760
2719-61-1 c1ccc(cc1)C(C)CCCCCCCCCC~    8.190
2719-62-2 c1ccc(cc1)C(CCCCC)CCCCCC~    8.010
2719-63-3 c1ccc(cc1)C(CCCC)CCCCCCC~    8.010
2719-64-4 c1ccc(cc1)C(CCC)CCCCCCCC~    8.070
2724-69-8 c1ccc(cc1)NC(NC)=S~    0.850
2728-04-3 O=C(c1ccccc1C)N(CC)CC~    2.020
2728-05-4 O=C(c1ccc(cc1)C)N(CC)CC~    2.380
2730-67-8 FC(F)(F)CNC~    0.550
2740-94-5 c1ccc(cc1)CNC(NC)=S~    1.350
2741-06-2 c1ccc(cc1)NC(NCC)=S~    1.420
2741-14-2 c1ccc(cc1)CNC(N(C)C)=S~    1.590
2745-25-7 N#CCc1occc1~    0.850
2756-85-6 O=C(O)C1(N)(CCCCC1)~   -1.870
2759-71-9 O=C(Nc1ccc(c(c1)Cl)Cl)C2CC2~    3.830
2763-96-4 O=C1C=C(ON1)CN~   -2.390
2782-91-4 C(N(C)C)(N(C)C)=S~    0.490
2786-62-1 O=C2N(c1ccccc1S2)C~    1.980
2790-16-1 O=C(Nc1ccc(c(c1)Cl)Cl)C2(C)(CC2)~    3.630
2797-37-7 O=C(OCc1ccc(cc1)Cl)NC~    2.420
2797-51-5 O=C1C(N)=C(C(=O)c2ccccc12)Cl~    2.120
2798-54-1 O=C(Oc1cc(ccc1C(C)(C)C)C)NC~    3.140
2799-07-7 O=C(O)C(N)CSC(c1ccccc1)(c2ccccc2)c3ccccc3~    2.060
2809-69-0 C(C#CC)#CC~    2.240
2810-04-0 O=C(OCC)c1cccs1~    2.330
2816-24-2 O=[N+]([O-])c2ccccc2(OC1OC(CO)C(O)C(O)C1(O))~   -0.780
2826-25-7 N#CC(C#N)=Cc1ccc(cc1)C~    2.400
2827-47-6 n1c(nc(nc1N(C)C)N(C)C)N~    1.200
2835-68-9 O=C(N)c1ccc(N)cc1~   -0.410
2845-79-6 O=C(N)NNC(=O)c1ccccc1~   -0.500
2845-89-8 O(c1cccc(c1)Cl)C~    2.980
2854-98-0 O=S(=O)(N)c2cc1c(N=C(NS1(=O)(=O))CCCCC)cc2Cl~    2.010
2859-67-8 OCCCc1cnccc1~    0.600
2859-68-9 OCCCc1ncccc1~    0.580
2862-51-3 O=C1NC(C(=O)NC1Cc2ccccc2)Cc3ccccc3~    1.590
2870-04-4 c1cc(c(c(c1)C)CC)C~    4.280
2872-48-2 O=C1c3ccccc3(C(=O)c2c(N)c(OC)cc(N)c12)~    3.500
2872-52-8 O=[N+]([O-])c2ccc(N=Nc1ccc(cc1)N(CC)CCO)cc2~    4.300
2880-58-2 O=C1C=CC(=O)C(OC)=C1~   -0.060
2882-20-4 n1ccnc(c1C)SC~    1.810
2886-65-9 O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2(F)))Cl~    2.700
2894-61-3 O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2))Br~    3.110
2894-67-9 O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2Cl))Cl~    3.150
2894-68-0 O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2Cl))Cl)C~    3.120
2896-70-0 O=C1CC(N(O)C(C)(C)C1)(C)C~    0.120
2898-08-0 O=C1Nc3ccccc3(C(=NC1)c2ccccc2)~    2.180
2898-12-6 N3=C(c1ccccc1)c2cc(ccc2N(C)CC3)Cl~    4.410
2904-53-2 OCCNc1nc(nc(n1)Cl)NC(C)C~    0.780
2905-65-9 O=C(OC)c1cccc(c1)Cl~    2.850
2916-31-6 O1CCOC1(C)C~    0.460
2917-98-8 O1CC1CN2CCN(CC2)CC3OC3~   -0.840
2921-88-2 n1c(OP(OCC)(OCC)=S)c(cc(c1Cl)Cl)Cl~    4.960
2922-40-9 O=C(O)C(N)Cc1ccc(cc1)[N+](=O)[O-]~   -1.250
2933-44-0 OC(COc1cccc(c1)C)CNC(C)C~    1.930
2933-75-7 OCCNc1ccccc1(OC)~    1.500
2961-50-4 n1ccc(cc1)CCCCC~    3.750
2971-22-4 c1ccc(cc1)C(c2ccccc2)C(Cl)(Cl)Cl~    4.870
2973-27-5 N#Cc1ccnc2ccccc12~    1.980
2976-32-1 O=[N+]([O-])c1cccc(c1)S(=O)(=O)C~    0.500
2987-53-3 Nc1ccccc1SC~    1.200
2989-98-2 O=C(N)Nc1cccc(c1)Br~    2.080
2990-01-4 O=C(N(c1ccccc1)c2ccccc2)N(C)C~    2.800
3000-74-6 n1cccc(c1)CCCCNC~    0.910
3000-75-7 n1cccc(c1)CNCC~    0.760
3012-37-1 N#CSCc1ccccc1~    1.990
3023-44-7 O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2(OC)))Cl~    2.630
3034-34-2 N#Cc1ccc(cc1)C(=O)N~    0.480
3034-41-1 O=[N+]([O-])c1ncn(c1)C~   -0.440
3034-42-2 O=[N+]([O-])c1cncn1C~    0.130
3040-44-6 OCCN1CCCCC1~    0.960
3042-22-6 c1ccc(cc1)c2ccc[nH]2~    2.760
3055-86-5 N#CCCOc1ccccc1~    1.610
3056-17-5 O=C1NC(=O)N(C=C1C)C2OC(C=C2)CO~   -0.720
3056-59-5 O=C(Oc1ccccc1CC)C~    2.420
3056-60-8 O=C(Oc1cccc(c1)CC)C~    2.450
3056-73-3 O=C(C=Cc1ccccc1)Nc2ccccc2~    3.610
3060-89-7 O=C(Nc1ccc(cc1)Br)N(OC)C~    2.380
3066-90-8 Oc1cc(c(O)c(OC)c1(OC))C~    1.050
3070-13-1 O=P(Oc1ccc(cc1)SC)(OCC)OCC~    2.790
3070-15-3 O(c1ccc(cc1)SC)P(OCC)(OCC)=S~    4.160
3077-12-1 OCCN(c1ccc(cc1)C)CCO~    1.090
3093-23-0 FC(F)(F)c1ccc3c(c1)N(c2ccccc2S3)CCCN4CCN(CCOCCO)CC4~    4.490
3097-21-0 O=C2N(c1ccccc1N2C)C~    1.460
3112-85-4 O=S(=O)(c1ccccc1)C~    0.500
3112-88-7 O=S(=O)(c1ccccc1)Cc2ccccc2~    2.050
3115-28-4 O=C(O)C(CCCC)CCCC~    3.200
3117-06-4 O=C1C(OC)=C(OC)C(=O)C(OC)=C1(OC)~    0.410
3119-02-6 N#Cc1ccc(cc1)S(=O)(=O)N~    0.230
3123-89-5 O=C1C=C3C(=CC=C1(N))c2c(OC)c(OC)c(OC)cc2CCC3(NC(=O)C)~    0.300
3125-63-1 Oc1cccc(N=C=S)c1~    3.230
3125-64-2 C(=Nc1cccc(OC)c1)=S~    3.680
3125-78-8 N#Cc1cccc(N=C=S)c1~    3.130
3126-90-7 O=C(OCCCC)c1cccc(c1)C(=O)OCCCC~    4.260
3132-64-7 O1CC1CBr~    0.850
3140-74-7 n1c(nc(nc1N(C)C)Cl)N(C)C~    2.310
3141-42-2 c1ccc(cc1)C3(c2ccccc2)(CC3(Cl)Cl)~    4.880
3146-39-2 O2C3C1CCC(C1)C23~    1.580
3153-44-4 O=C(O)CCC(=O)c1ccc(OC)cc1~    1.380
3156-35-2 O=[N+]([O-])C=Cc1cccc(c1)Cl~    2.570
3156-39-6 O=[N+]([O-])C=Cc1ccccc1[N+](=O)[O-]~    1.800
3160-40-5 O=C(C=Cc1ccc(cc1)Cl)C~    2.800
3178-22-1 CC(C)(C)C1CCCCC1~    5.040
3179-10-0 O=[N+]([O-])C=Cc1ccc(OC)cc1~    2.200
3199-61-9 O=C(OCC)c1oc2ccccc2(c1)~    3.050
3208-16-0 o1cccc1CC~    2.400
3209-22-1 O=[N+]([O-])c1cccc(c1Cl)Cl~    3.050
3215-24-5 O=C2N6c1ccc(N)cc1C57(CCN4CC3=CCOC(C2)C(C3CC45)C67)~    0.540
3235-02-7 ON=Cc1ccc(cc1)C~    2.400
3237-22-7 N#CC(C#N)=Cc1occc1~    1.400
3245-23-6 O=C(Oc1ccc(cc1)CC)C~    2.560
3253-62-1 O=C1OCC(=C1)C3CCC4(O)(C5CCC6(O)(CC(OC2OC(C)C(O)C(O)C2(O))CCC6(CO)(C5(CCC34(C)))))~   -0.620
3261-53-8 O=COC6CC7(O)(C8CCC4CC(OC3OC(C)C(OC2OC(C)C(OC1OC(C)C(O)C(O)C1)C(O)C2)C(O)C3)CCC4(C)C8(CCC7(C)(C6(C5=CC(=O)OC5))))~    2.040
3261-62-9 NCCc1ccc(cc1)C~    1.830
3267-78-5 O=C(O[Sn](CCC)(CCC)CCC)C~    1.680
3268-87-9 O1c3c(Oc2c1c(c(c(c2Cl)Cl)Cl)Cl)c(c(c(c3Cl)Cl)Cl)Cl~    8.200
3271-01-0 O=S(=O)(Nc1ncc(cn1)CC)c2ccc(N)cc2~    0.900
3274-28-0 O=C(O)C(CCC)CCCC~    3.010
3290-92-4 O=C(OCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)CC)C(=C)C~    4.390
3296-90-0 OCC(CO)(CBr)CBr~    1.060
3316-09-4 O=[N+]([O-])c1ccc(O)c(O)c1~    1.660
3324-76-3 O=C1C=CC=CC(O)=C1~    0.810
3343-19-9 Oc1ccc(cc1(O))C(O)CO~   -1.010
3343-22-4 O=C(OCC2OC(N1C=C(F)C(=O)NC1(=O))CC2(OC(=O)CCC))CCC~    1.900
3354-37-8 c1ccc(cc1)C2=CSSC2=S~    3.200
3354-39-0 C1(=C(C)SSC1=S)C~    2.450
3354-40-3 C1=C(C)SSC1=S~    1.890
3354-42-5 c1ccc2c(c1)C(=S)SS2~    3.570
3360-41-6 OCCCCc1ccccc1~    2.350
3366-95-8 O=[N+]([O-])c1cnc(n1CC(O)C)C~    0.220
3376-24-7 [O-][N+](=Cc1ccccc1)C(C)(C)C~    1.260
3382-56-7 O=[N+]([O-])c1ccc(cc1)C(C)(C)C~    3.890
3383-96-8 O(c1ccc(cc1)Sc2ccc(OP(OC)(OC)=S)cc2)P(OC)(OC)=S~    5.960
3393-59-7 FC(F)(F)c1nc2c([nH]1)c(cc(c2Cl)Cl)Cl~    3.780
3397-78-2 n2nc1ccccc1c(OC)c2~    1.410
3416-26-0 O=C(Nc1c(cccc1C)C)CN2CCN(CC2)CCCC(c3ccc(F)cc3)c4ccc(F)cc4~    5.600
3424-93-9 O=C(N)c1ccc(OC)cc1~    0.860
3438-46-8 n1cnc(cc1)C~    0.160
3441-01-8 N#Cc1cccc(c1)C(=O)N~    0.520
3453-64-3 O=C1OC(c2ccccc12)C~    1.410
3454-07-7 C=Cc1ccc(cc1)CC~    4.190
3456-79-9 O=C3Nc1ccccc1C3(c2ccccc2)~    2.590
3469-69-0 n1cc(c[nH]1)I~    1.700
3475-63-6 O=NN(C(=O)N(C)C)C~    0.360
3476-50-4 O=C1C=C3C(=CC=C1(OC))c2c(OC)c(OC)c(OC)cc2CCC3(N)~    1.100
3478-94-2 O=C(OCCCN1CCCCC1C)c2ccc(c(c2)Cl)Cl~    4.310
3481-20-7 Nc1c(c(cc(c1Cl)Cl)Cl)Cl~    4.100
3483-39-4 O1CC1C2CCCCC2~    2.430
3485-14-1 O=C(O)C3N2C(=O)C(NC(=O)C1(N)(CCCCC1))C2SC3(C)(C)~    1.310
3489-59-6 N#Cc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3~    1.800
3490-37-7 O=C(C=Cc1ccc(cc1)[N+](=O)[O-])C~    1.900
3510-70-1 CCC[Si](C)(C)C~    3.840
3538-65-6 O=C(NN)CCC~   -0.620
3544-24-9 O=C(N)c1cccc(N)c1~   -0.330
3550-21-8 C(=NC(c1ccccc1)c2ccccc2)=S~    5.090
3555-18-8 O=[N+]([O-])c1cc(ccc1(O))C(C)CC~    3.840
3566-00-5 O=C(Oc1ccc(c(c1)C)SC)NC~    2.470
3567-38-2 O=C(OC(C#C)c1ccccc1)N~    1.590
3567-62-2 O=C(Nc1ccc(c(c1)Cl)Cl)NC~    2.940
3567-84-8 N=1C(=NC(N(C=1N)c2ccc(cc2)Br)(C)C)N~    1.090
3572-34-7 O=S(=O)(c1ccc(N)cc1)c2ccc(cc2)NCC~    1.980
3585-93-1 [O-][N+](=Cc1ccc(OC)cc1)c2ccccc2~    1.940
3593-96-2 O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CCCCC~    4.480
3599-76-6 n1c(nc(nc1C(Cl)(Cl)Cl)SC)C(Cl)(Cl)Cl~    4.420
3619-01-0 O=C(OC)C(NC(=O)C)CC~   -0.170
3619-17-8 O=C(NN)C(C)C~   -0.630
3619-22-5 O=C(NN)c1ccc(cc1)C~    0.720
3625-25-0 O=C1NC(=O)C(C(=O)N1)(C2=CC3CCC(C2)C3)CC~    2.530
3626-62-8 O=C(N1CCCCC1)Cc2ccccc2~    2.440
3642-85-1 O=C4C=C3C(C)CC1C(C(=O)CC2(C)(C(C(=O)C)CCC12))C3(C)CC4~    2.750
3663-20-5 O=C(Nc1ccc(cc1)CCCC)C~    3.300
3663-21-6 O=C(Nc1ccc(cc1[N+](=O)[O-])CCCC)C~    3.100
3663-34-1 O=C(Nc1ccc(cc1)CC)C~    2.200
3671-60-1 FC(F)(F)c1nc2cc(ccc2([nH]1))Br~    3.570
3679-63-8 O=C(Nc1ccc(cc1)Cl)c2ccccc2(O)~    4.500
3679-64-9 O=C(Nc1ccc(cc1)Cl)c2cc(ccc2(O))Br~    5.020
3681-78-5 O=C(OCCC)CCCCCCCCCCC~    6.110
3688-53-7 O=C(N)C(=Cc1oc(cc1)[N+](=O)[O-])c2occc2~    0.150
3689-24-5 O(CC)P(OCC)(OP(OCC)(OCC)=S)=S~    3.990
3689-50-7 O=S3(=O)(c1ccccc1N(c2ccccc23)CC(C)CN(C)C)~    2.510
3690-04-8 O=C2C(NC(=O)C(N(C)C)C)=C(N(N2(c1ccccc1))C)C~   -0.050
3690-53-7 O=C(NCCN(CC)CC)c1ccccc1~    1.990
3694-52-8 O=[N+]([O-])c1cccc(N)c1(N)~    1.270
3701-01-7 O=S(=O)(N)c1cccc(c1)S(=O)(=O)N~   -0.550
3704-09-4 O=C4C=C3CC(C)C2C(CCC1(C)(C2(CCC1(O)(C))))C3CC4~    3.190
3707-98-0 O=C1C(=C(C=NN1c2ccccc2)N(C)C)Cl~    1.550
3722-12-1 N#CC(C#N)=NNc1ccc(cc1)[N+](=O)[O-]~    2.370
3724-16-1 O=C(N)Cc1cnccc1~   -0.710
3724-65-0 O=C(O)C=CC~    0.720
3731-51-9 n1ccccc1CN~   -0.210
3731-52-0 n1cccc(c1)CN~   -0.320
3734-48-3 C1=CC2C(C1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl~    5.570
3736-81-0 O=C(Oc1ccc(cc1)N(C(=O)C(Cl)Cl)C)c2occc2~    2.240
3737-09-5 O=C(N)C(c1ncccc1)(c2ccccc2)CCN(C(C)C)C(C)C~    2.580
3739-38-6 O=C(O)c2cccc(Oc1ccccc1)c2~    3.910
3739-82-0 n1cccnc1OCC~    0.740
3758-59-6 O=C(NN)c1ccnc(c1)C~   -0.370
3760-54-1 O=CN1CCCC1~   -0.320
3766-60-7 O=C(Nc1ccc(cc1)Cl)N(C)C(C#C)C~    3.000
3766-82-3 O=C(Oc1ccc(c(c1)C)C(C)C)NC~    3.110
3769-57-1 O=[N+]([O-])c2ccc(N=Nc1ccc(cc1C)N(CCO)CCO)c(c2)Cl~    4.300
3770-50-1 O=C(OCC)c1cc2ccccc2([nH]1)~    3.220
3771-14-0 O=S(=O)(O)c1cc(O)c2ccccc2(c1)~   -0.180
3772-76-7 O=S(=O)(Nc1nc(nc(OC)c1)C)c2ccc(N)cc2~    0.610
3775-60-8 n1nc(oc1)N~   -1.440
3775-61-9 n1nc(oc1N)CC~   -0.300
3778-73-2 O=P1(OCCCN1(CCCl))(NCCCl)~    0.860
3780-85-6 N#CC(C#N)=NNc1c(cccc1Cl)Cl~    4.510
3786-76-3 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(CCC67(C)))~    2.900
3811-49-2 O2c1ccccc1COP2(OC)=S~    2.670
3829-78-5 O=C(N(CC=C)C(C)C)C~    1.140
3845-76-9 O=C(C=C)NCCCN(C)C~    0.000
3846-73-9 Oc2cccc1c2(nccc1C)~    2.410
3848-36-0 ON=Cc1ccc(cc1)Cl~    2.670
3856-05-1 O=C(OCC(C)C)c1cc(O)c(O)c(O)c1~    2.460
3858-83-1 N=C(N)c1ccc(N)cc1~   -0.370
3861-41-4 N#Cc1cc(c(OC(=O)CCC)c(c1)Br)Br~    3.940
3864-49-1 O=C1Nc3ccccc3(C(=NC1)c2cccc(c2)C(F)(F)F)~    3.190
3896-29-5 O=C(Nc1c(F)cccc1(F))C~    0.690
3900-31-0 O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2(F)))Cl)C~    2.750
3915-60-4 O=N1CCCCC1SCc2ccccc2~    1.240
3922-90-5 O=C4OC(C)C(C)C(O)C(C(=O)C1(OC1)CC(C)C(OC2OC(C)CC(N(C)C)C2(O))C(C)C(OC3OC(C)C(O)C(OC)C3)C4C)C~    1.690
3926-67-8 Oc1ccc3c(c1)N(c2cc(ccc2S3)Cl)CCCN(C)C~    4.630
3930-20-9 O=S(=O)(Nc1ccc(cc1)C(O)CNC(C)C)C~    0.240
3930-83-4 O=C(N)c1ccccc1I~    0.930
3938-24-7 O=C(Oc1ccccc1(OC))NC~    0.810
3938-28-1 O=C(Oc1cccc(OC)c1)NC~    1.300
3938-29-2 O=C(Oc1ccc(OC)cc1)NC~    1.200
3938-34-9 O=C(Oc1ccc(cc1)SC)NC~    1.920
3942-51-6 O=C(Oc1ccc(cc1)C(C)CC)NC~    3.200
3942-54-9 O=C(Oc1ccccc1Cl)NC~    1.640
3956-07-8 O=C(N)c1ccc(cc1)I~    1.990
3957-74-2 O=C(Oc1ccc(cc1)NC(=O)C(Cl)Cl)C~    1.900
3964-58-7 O=C(O)c1ccc(O)c(c1)Cl~    2.410
3964-81-6 n1cccc3c1C(c2ccccc2CC3)=C4CCN(C)CC4~    3.590
3978-68-5 O=C(Oc1cccc(OCCCC)c1)NC~    2.960
3978-69-6 O=C(Oc1ccc(OCCCC)cc1)NC~    2.860
3994-23-8 N#CC(=NNc1ccccc1Cl)C(=O)OCC~    3.380
4001-73-4 O=C(N)c1ccccc1Br~    0.770
4005-51-0 n1nc(N)sc1~   -0.570
4008-48-4 O=[N+]([O-])c2ccc(O)c1ncccc12~    1.990
4022-58-6 N=1C(=NC(N(C=1N)c2ccccc2)(C)C)N~    0.280
4043-23-6 O=C(Oc1cccc(c1)CC)NC~    2.200
4052-30-6 O=C(O)c1ccc(cc1)S(=O)(=O)C~    0.670
4053-42-3 O=N2c1ccc(cc1CCC2)C~    0.950
4054-88-0 OC1C2CC3C1C3(C2(O))~   -0.420
4070-75-1 O=C(C=CC(=O)c1ccccc1)c2ccccc2~    3.160
4075-58-5 O=C(OCC)C(=O)c1cccs1~    1.770
4081-02-1 Oc1ccc(cc1)C(c2ccccc2)c3ccc(O)cc3~    4.300
4089-99-0 O=C(Oc1ccc(cc1)C(C)C)NC~    2.570
4090-00-0 O=C(Oc1cccc(c1)Cl)NC~    2.030
4093-35-0 O=C(NCCN(CC)CC)c1cc(c(N)cc1(OC))Br~    2.830
4093-42-9 O=C(NCCN(CC)CC)c1cc(c(N)cc1(OC))[N+](=O)[O-]~    2.110
4094-38-6 O=S(=O)(c1ccc(N)cc1)c2ccc(cc2)C~    2.400
4096-21-3 c1ccc(cc1)N2CCCC2~    3.560
4101-68-2 C(CCCCCBr)CCCCBr~    6.120
4104-75-0 NC(N(c1ccccc1)C)=S~    0.850
4119-41-9 c1ccc(cc1)CCCI~    3.900
4122-57-0 O=C1OC(OC)c2ccccc12~    1.000
4143-63-9 O=C1C=C(Oc2ccccc12)c3ccc(O)cc3~    3.200
4144-64-3 O=C(O)Cn2nnc1ccccc12~   -1.880
4147-51-7 n1c(nc(nc1NC(C)C)SCC)NC(C)C~    3.810
4201-33-6 N(=C1NCCN1)c2c(cc(cc2Cl)C)Cl~    1.920
4201-34-7 N(=C1NCCN1)c2c(cc(cc2Cl)Cl)C~    2.380
4201-36-9 N(=C1NCCN1)c2c(cc(cc2Cl)C)C~    2.100
4201-38-1 N(=C1NCCN1)c2c(cc(cc2C)Cl)C~    2.500
4201-40-5 N(=C1NCCN1)c2c(cc(cc2C)C)C~    2.320
4202-14-6 O=C(C)CP(=O)(OC)OC~   -0.860
4205-93-0 N(=C1NCCN1)c2c(cccc2Br)Br~    1.960
4214-76-0 O=[N+]([O-])c1cnc(N)cc1~    0.650
4224-00-4 O=C3NC(c1ccccc1)(c2ccccc2)C(=O)N3C~    2.280
4228-89-1 FC(F)(F)c1nc2c([nH]1)c(ccc2Cl)Cl~    2.870
4233-61-8 O=C(O)C(n2nnc1ccccc12)(C)C~   -0.200
4238-66-8 n1ccc3c(c1)cc2c4ccccc4([nH]c2c3C)~    4.060
4248-18-4 O=C(O)CC(n1nc2ccccc2(n1))C~    0.340
4248-19-5 O=C(OC(C)(C)C)N~    0.480
4248-20-8 O=C(OCCCCCCC)N~    2.360
4249-64-3 OC(c1ccccc1)CN(CC)CC~    2.020
4261-14-7 n3cnc1c(ncn1Cc2ccccc2)c3N~    1.700
4267-05-4 O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))C(Cl)(Cl)Cl~    0.820
4275-43-8 NC(Cc1ccccc1)Cc2ccccc2~    3.350
4282-40-0 CCCCCCCI~    4.700
4284-51-9 O=S(=O)(Nc1ccc(cc1)Cl)C~    1.850
4290-62-4 O=C(OC(COc1cccc2ccccc12)CNC(C)C)C~    4.340
4304-12-5 OCC2OC(OCc1ccccc1)C(O)C(O)C2(O)~   -0.700
4314-66-3 O=C(NCC)c1cnccc1~    0.310
4335-90-4 O=C(C(=Cc1ccccc1)C(=O)C)C~    1.590
4343-96-8 OCCCCCc1ccncc1~    1.390
4346-64-9 c1ccc(cc1)[Se]C~    2.870
4351-48-8 O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CC)(C(=O)C)C4(C)(CC(O)C23(F)))(C)~    3.090
4351-59-1 O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CC)(C(=O)C)C4(C)(CC(=O)C23(F)))(C)~    3.090
4358-63-8 O=S(=O)(Oc1ccccc1)c2ccccc2~    3.060
4368-68-7 n1nn(cc1)Cc2ccccc2~    1.270
4388-79-8 O=C1NC(NC(=O)C1(CC)CCC(C)C)=S~    2.980
4394-00-7 O=C(O)c2cccnc2(Nc1cccc(c1)C(F)(F)F)~    4.430
4412-91-3 OCc1cocc1~    0.300
4423-58-9 O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C~   -0.030
4426-79-3 C(=NC(C)CC)=S~    2.810
4439-24-1 OCCOCC(C)C~    0.750
4450-00-4 O=C(OCCCCC)C1=CC(=O)NC(=O)N1~    1.620
4450-26-4 O=C(OCCC)C1=CC(=O)NC(=O)N1~    1.100
4461-29-4 O=C(N)Cc1cccs1~    0.330
4465-61-6 O=C(Oc1ccc(OC)cc1)c2ccc(N)cc2(O)~    3.070
4478-92-6 C(=NC(c1ccccc1)C)=S~    3.460
4493-18-9 O=C(O)C2N1C(=O)C(NC(=O)CCCCC)C1SC2(C)(C)~    2.370
4498-32-2 O=C3c1ccccc1N(c2ccccc2N3CCN(C)C)C~    2.500
4513-94-4 N#Cc1ccc[nH]1~    1.130
4514-53-8 n1c(nc(nc1N)c2ccc(cc2)Cl)N~    2.330
4514-54-9 n1c(nc(nc1N)c2cccc(c2)Cl)N~    2.330
4525-75-1 O=C(Oc1ccccc1Cl)C~    2.180
4531-54-8 O=[N+]([O-])c1ncn(c1(N))C~   -1.000
4534-49-0 c1ccc(cc1)C(CCCCC)CCCCCCC~    8.560
4534-50-3 c1ccc(cc1)C(CCCC)CCCCCCCC~    8.560
4534-51-4 c1ccc(cc1)C(CCC)CCCCCCCCC~    8.620
4534-52-5 c1ccc(cc1)C(CC)CCCCCCCCCC~    8.650
4534-53-6 c1ccc(cc1)C(C)CCCCCCCCCCC~    8.770
4534-55-8 c1ccc(cc1)C(CCCCC)CCCCCCCC~    9.160
4534-56-9 c1ccc(cc1)C(CCCC)CCCCCCCCC~    9.160
4534-57-0 c1ccc(cc1)C(CCC)CCCCCCCCCC~    9.250
4534-58-1 c1ccc(cc1)C(CC)CCCCCCCCCCC~    9.290
4534-59-2 c1ccc(cc1)C(C)CCCCCCCCCCCC~    9.290
4536-86-1 c1ccc(cc1)C(CCC)CCCCCCC~    7.590
4536-87-2 c1ccc(cc1)C(CC)CCCCCCCC~    7.530
4536-88-3 c1ccc(cc1)C(C)CCCCCCCCC~    7.630
4537-11-5 c1ccc(cc1)C(CCCC)CCCCC~    6.900
4537-12-6 c1ccc(cc1)C(CCC)CCCCCC~    7.000
4537-13-7 c1ccc(cc1)C(C)CCCCCCCC~    7.060
4537-14-8 c1ccc(cc1)C(CCCCC)CCCCC~    7.450
4537-15-9 c1ccc(cc1)C(CCCC)CCCCCC~    7.450
4537-73-9 n1cccnc1C(N)=S~   -0.340
4546-70-7 OCC3OC(n2cnc1c(nc(nc12)N)N)CC3(O)~   -0.520
4548-15-6 O=[N+]([O-])c2cnc(c1ccc(F)cc1)n2CCO~    1.330
4549-44-4 O=NN(CC)CCCC~    1.630
4559-87-9 O=C(N)N(c1ccccc1)C~    0.420
4562-36-1 O=C1OCC(=C1)C6C(O)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)))~    1.670
4563-33-1 O=S(=O)(N)Cc1ccccc1~    0.130
4568-93-8 O=C(OCCCCC)c1cc(O)c(O)c(O)c1~    2.670
4570-41-6 n1c(oc2ccccc12)N~    1.530
4570-45-0 n1ccoc1N~   -0.180
4595-59-9 n1cncc(c1)Br~    0.720
4595-60-2 n1cccnc1Br~    0.500
4598-39-4 O=C(OCC(C)C)C1=CC(=O)NC(=O)N1~    1.010
4608-25-7 O=C(NN)c1ccnc(c1)CC~    0.120
4609-10-3 O=C(O)CCCC(=O)c1ccc(OC)cc1~    1.630
4620-70-6 OCCNC(C)(C)C~    0.410
4621-36-7 c1ccc(cc1)C(CC)CCCCCCC~    7.000
4621-66-3 n1cccc(c1)C(N)=S~    0.670
4637-59-6 O=N2c1ccccc1C(CC2)Cl~    1.080
4638-48-6 O=C(Nc1ccccc1)c2cc(ccc2(O))Cl~    4.050
4653-73-0 N=1C(=NC(N(C=1N)c2ccc(cc2)CCCC)(C)C)N~    2.660
4655-34-9 O=C(OC(C)C)C(=C)C~    2.250
4658-28-0 [N-]=[N+]=Nc1nc(nc(n1)SC)NC(C)C~    3.000
4678-45-9 OC2CC1C(O)(C)C4CCC3C(O)C4(CC(O)C1(O)C2(C)(C))(CC3(O)(C))~    0.270
4684-94-0 O=C(O)c1nc(ccc1)Cl~    1.500
4697-36-3 O=C(O)C(C(=O)NC2C(=O)N1C(C(=O)O)C(C)(C)SC12)c3ccccc3~    1.130
4699-82-5 O=C1Nc3ccc(cc3(C(=NC1C)c2ccccc2))Cl~    3.330
4756-30-3 OCC2OC(Oc1ccc(cc1)Cl)C(O)C(O)C2(O)~    0.260
4759-24-4 O=C(O)C3N2C(=O)C(NC(=O)C(O)c1ccccc1)C2SC3(C)(C)~    1.400
4770-31-4 O=C1OC(c2ccccc12)(CC)CC~    2.690
4774-14-5 n1cc(nc(c1)Cl)Cl~    1.530
4774-15-6 n1cc(nc(OC)c1)OC~    1.580
4780-24-9 O=C(O)C3N2C(=O)C(NC(=O)C(Oc1ccccc1)(C)C)C2SC3(C)(C)~    2.760
4783-68-0 n1ccccc1Oc2ccccc2~    2.390
4793-56-0 O=C(OCC)c2cc(c(cc2(NCc1occc1))Cl)S(=O)(=O)N~    2.670
4795-31-7 O=P(O)(Oc1ccc(cc1)Cl)Oc2ccc(cc2)Cl~    2.640
4799-59-1 O=P(Oc1ccc(c(c1)C)SC)(OCC)OCC~    3.280
4812-20-8 Oc1ccccc1(OC(C)C)~    2.090
4824-78-6 O(c1cc(c(cc1Cl)Br)Cl)P(OCC)(OCC)=S~    6.150
4826-22-6 O=C(O)CCC1=NS(=O)(=O)c2ccccc2(N1)~   -0.180
4826-24-8 O=C(O)CCCC1=NS(=O)(=O)c2ccccc2(N1)~   -0.150
4837-88-1 O=[N+]([O-])c1cccc(OC)c1C~    2.680
4838-65-7 O=C1N(CCC1)CCCCCC~    2.600
4849-32-5 O=C(Oc1cccc(c1)NC(=O)N(C)C)NC(C)(C)C~    1.660
4888-33-9 O=C3Nc1ccccc1C(c2ccccc2)C3~    2.790
4891-98-9 n1cc(c(nc1N)N)Cc2cc(OC)c(OCCC)cc2Br~    2.840
4894-75-1 O=C2CCC(c1ccccc1)CC2~    2.300
4897-25-0 O=[N+]([O-])c1ncn(c1Cl)C~    1.060
4897-31-8 O=[N+]([O-])c1c(ncn1C)Cl~    0.690
4901-51-3 Oc1cc(c(c(c1Cl)Cl)Cl)Cl~    4.210
4914-62-9 O=C(O)C4N3C(=O)C(NC(=O)c1c(noc1CO)c2ccccc2)C3SC4(C)(C)~    1.800
4917-89-9 O=C(O)COc1ccc(cc1)C(C)CC~    3.120
4919-33-9 O=C(O)Cc1ccc(OCC)cc1~    1.950
4920-77-8 O=[N+]([O-])c1c(O)cccc1C~    2.290
4928-02-3 O=C1Nc3ccc(N)cc3(C(=NC1)c2ccccc2)~    1.000
4930-03-4 O=C(Oc1ccccc1)Nc2ccccc2~    3.300
4932-53-0 O=C(NCCC)NS(=O)(=O)c1ccccc1~    1.440
4940-11-8 O=C1C=COC(=C1(O))CC~    0.630
4940-39-0 O=C(O)C=1Oc2ccccc2(C(=O)C=1)~    1.630
4949-13-7 Fc1nccnc1~    0.290
4959-16-4 O=C1N(c3ccc(N)cc3(C(=NC1)c2ccccc2))C~    1.460
4964-76-5 n1cccc2ccc(OC)cc12~    2.370
4965-26-8 O=[N+]([O-])c2ccc1c(ccs1)c2~    2.920
4975-21-7 n1onc(c1C)C~    0.710
5001-33-2 Oc1ccc(cc1(OC))C(O)CNC~   -0.640
5004-45-5 O=C2NN=C(c1ccccc1)c3ccccc23~    2.480
5006-67-7 O=[N+]([O-])c1nccn1CCO~   -0.470
5006-90-6 O=C(Nc1ccc(c(c1)Cl)Cl)NCC(C)C~    4.480
5018-16-6 O=S(=O)(Nc1ncnc(OC)c1(OC(C)C))c2ccc(N)cc2~    1.030
5018-56-4 O=S(=O)(Nc1ncnc(OCC)c1(OC))c2ccc(N)cc2~    1.180
5049-61-6 n1ccnc(N)c1~   -0.070
5053-43-0 n1cccnc1C~   -0.050
5075-92-3 O=C1N(C)C(C)CC1~   -0.070
5102-79-4 O=C1c4ccccc4(C(=NN)C1C(=O)C(c2ccccc2)c3ccccc3)~    3.620
5103-73-1 C2(=C(C3(C1C(C(C(C1Cl)Cl)Cl)C2(C3(Cl)Cl)Cl)Cl)Cl)Cl~    6.220
5108-54-3 O=S2(=O)(NC(=Nc1c(cc(cc12)Cl)Br)C)~    1.650
5124-25-4 O=[N+]([O-])c2cc(ccc2(Nc1ccccc1))S(=O)(=O)Nc3ccccc3~    4.600
5131-24-8 O=C1c2ccccc2(C(=O)N1P(OCC)(OCC)=S)~    3.480
5131-60-2 Nc1ccc(c(N)c1)Cl~    0.850
5152-83-0 n2nc1ccccc1c(N)c2~    1.040
5162-44-7 C=CCCBr~    2.530
5192-03-0 Nc1ccc2[nH]ccc2(c1)~    0.700
5194-50-3 C(C=CC)=CC~    2.910
5213-49-0 O=[N+]([O-])c1nc([nH]c1)[N+](=O)[O-]~    0.200
5213-50-3 O=[N+]([O-])c1nc(n(c1)C)[N+](=O)[O-]~   -0.170
5215-26-9 O=C(Nc1ccccc1(F))Cc2ccccc2~    2.620
5221-42-1 O=C(Nc1ccncc1)C~    0.500
5231-96-9 O=C(Nc1ncccc1)C~    0.610
5234-26-4 O=C(Nc1ccccc1C(=O)C)C~    1.500
5259-86-9 O=C(OC)CNC(=O)c1ccc(N)cc1~   -0.230
5259-88-1 O=C(Nc1ccccc1)C2=C(OCCS2(=O)(=O))C~    0.740
5263-87-6 n1cccc2cc(OC)ccc12~    2.200
5264-15-3 OCCCCc1ccncc1~    0.900
5270-94-0 n1cnc(OC)cc1OC~    0.960
5284-99-1 OCC2OC(OC1CCCCC1)C(O)C(O)C2(O)~   -0.630
5292-53-5 O=C(OCC)C(=Cc1ccccc1)C(=O)OCC~    3.130
5296-64-0 C=CCSc1ccccc1~    3.510
5297-05-2 O=C1OCC(=C1)C5CCC6(O)(C7CCC4CC(OC3OC(C)C(OC2OC(C)C(O)C(O)C2)C(O)C3)CCC4(C)C7(CC(O)C56(C)))~    1.200
5297-10-9 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(O)C67(C)))~    1.360
5307-14-2 O=[N+]([O-])c1cc(N)ccc1(N)~    0.530
5319-71-1 O=C1c2ccccc2(N=CN1(O))~   -0.450
5326-47-6 O=C(O)c1cc(ccc1(N))I~    2.060
5327-00-4 O=C(NCC)CBr~    0.340
5330-38-1 Oc1ccc(cc1CO)Cl~    1.440
5335-75-1 n1ccc(cc1)CCCC~    3.130
5344-27-4 OCCc1ccncc1~    0.100
5345-54-0 O(c1ccc(N)cc1Cl)C~    1.850
5348-42-5 Nc1cc(c(cc1(N))Cl)Cl~    2.000
5351-17-7 O=C(NN)c1ccc(N)cc1~   -0.750
5352-63-6 O=C1OCC(=C1)C4CCC5(O)(C6CCC3CC(OC2OC(C)C(O)C(O)C2)CCC3(C)C6(CC(O)C45(C)))~    1.090
5358-34-9 O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2C))Cl)C~    3.030
5358-35-0 O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2C))Cl~    3.120
5358-92-9 O=C1Nc3ccc(cc3(C(=NC1)c2cccc(OC)c2))Cl~    3.140
5358-96-3 O=C1Nc3ccc(OC)cc3(C(=NC1)c2ccccc2)~    2.240
5363-32-6 O=C(N)c1ccccc1(NC(C)C)~    2.070
5380-42-7 O=C(OC)c1cccs1~    1.830
5382-47-8 O=C(NN)c1ccc2ncccc2(c1)~    0.350
5398-11-8 O=C2OC(c1ccccc1)c3ccccc23~    2.640
5401-94-5 O=[N+]([O-])c1ccc2[nH]ncc2(c1)~    2.030
5407-61-4 OC(c1ccccc1)CN2CCCC2~    1.380
5417-50-5 O=C(Nc1cnc2ccccc2(c1))C~    1.920
5418-93-9 n1c(N)[nH]c2cc(ccc12)Cl~    1.880
5419-96-5 N(=Cc1occc1)NC(N)=S~    1.640
5424-05-5 n1cc(nc2ccccc12)N~    1.500
5424-19-1 O=C(c1cnccc1)c2ccccc2~    1.880
5428-54-6 O=[N+]([O-])c1ccc(c(O)c1)C~    2.470
5429-42-5 O=C(Nc1ccc(cc1)C)CN2CCCCC2~    2.960
5432-28-0 O=NN(C)C1CCCCC1~    1.430
5432-53-1 O=C(C=Cc1ccc(cc1)N(C)C)C~    2.660
5438-19-7 O=C(O)c1ccc(OCCC)cc1~    3.090
5447-87-0 N#CC(C#N)=C(c1ccccc1)C~    2.100
5448-36-2 O=C(c1cccc(c1)C)N(C(C)C)C(C)C~    3.000
5448-43-1 n1ccnc2cc(ccc12)Cl~    2.100
5450-54-4 O=C(N)c1nnccc1~   -0.730
5451-39-8 O=C(N)Cc1ncccc1~   -0.650
5451-83-2 O=C(Oc1cccc(OC)c1)C~    1.610
5462-24-8 O=C(NCCC)c1ccc(cc1)S(=O)(=O)N~    0.510
5465-00-9 O=C(NCC)Cc1ccccc1~    1.000
5469-69-2 n1nc(ccc1N)Cl~    0.350
5470-34-8 O=CNc1ccc(OC)cc1~    1.030
5470-49-5 O=S(=O)(c1ccc(N)cc1)C~   -0.120
5472-13-9 OC(c1ccccc1)c2ccccc2C~    3.060
5500-21-0 N#CC1CC1~    0.680
5519-23-3 O=C(O)c1ccc(OCCCCCCCCCC)cc1~    6.290
5521-56-2 n1cc(nc(c1)C)N~    0.350
5522-43-0 O=[N+]([O-])c4ccc1ccc2cccc3ccc4(c1c23)~    5.060
5532-90-1 O=C(OCCC)Nc1ccccc1~    2.800
5536-17-4 OCC3OC(n2cnc1c(ncnc12)N)C(O)C3(O)~   -1.110
5541-67-3 Oc1ccc(c2cccnc12)C~    2.370
5558-66-7 O=C(O)C(c1ccccc1)(c2ccccc2)C~    2.690
5571-62-0 O=C2Nc1c(cc(cc1C)C)C(=NC2)c3ccccc3~    2.940
5585-14-8 [O-][n+]3onc(c1ccccc1)c3(c2ccccc2)~    3.640
5588-16-9 O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))CSCC=C~    1.170
5594-16-1 O=C(Nc1nc(cnc1)C)C~    0.380
5602-96-0 O=C(OC)Nc1ccc(cc1)C~    2.290
5632-47-3 O=NN1CCNCC1~    0.180
5638-76-6 n1ccccc1CCNC~    0.680
5663-74-1 O=C(NC(=O)c1ccccc1(O))c2ccccc2~    1.380
5673-07-4 O(c1cccc(OC)c1C)C~    2.870
5681-57-2 O=C(NO)NCCCC~    0.320
5683-33-0 n1ccccc1N(C)C~    1.650
5692-23-9 O=C(NCCCCN)c1ccccc1~    0.580
5710-11-2 O=C(NO)NCC~   -0.760
5722-68-9 O=[N+]([O-])c1ccc(O)cc1C(C)(C)C~    3.650
5725-96-2 ON(C)C~   -1.150
5728-21-2 n1c(c(ns1)C)C~    1.280
5739-82-2 O=C(OC)C=COc1ccccc1~    2.680
5741-22-0 OC(COc1ccccc1(OC))CNC(C)C~    1.690
5765-44-6 n1oc(cc1)C~    0.450
5785-06-8 O=C(NN)c1cccc(OC)c1~    0.400
5794-03-6 C=C2C1CCC(C1)C2(C)C~    4.220
5813-86-5 O=C(N)c1cccc(OC)c1~    0.850
5813-89-8 O=C(N)c1cccs1~    0.520
5813-92-3 O=C(N)C=Cc1ccc2OCOc2(c1)~    1.400
5814-05-1 O=C(NN)c1ccccc1Cl~    0.140
5819-21-6 O=C(Oc1ccc(cc1)[N+](=O)[O-])NC~    1.470
5841-62-3 O=C1OC(C(=O)N1)Cc2ccccc2~    1.200
5841-63-4 O=C1OC(C(=O)N1)c2ccccc2~    1.090
5867-45-8 O=C(Nc1cnccc1)C~    0.410
5900-55-0 O=C(Nc1cc(ccc1C)Cl)C~    1.820
5902-51-2 O=C1NC(=C(C(=O)N1C(C)(C)C)Cl)C~    1.890
5910-89-4 n1ccnc(c1C)C~    0.540
5915-41-3 n1c(nc(nc1NC(C)(C)C)Cl)NCC~    3.210
5933-32-4 O=C(NN)c1ccc(cc1)Br~    1.280
5944-41-2 n1ccccc1C(C)(C)C~    2.400
5945-41-5 O=C1OC2CC(C)C3C=CC(=O)C3(C)(C(O)C2(C1(=C)))~    0.620
5945-42-6 O=C1OC2CC(C)C3C=CC(=O)C3(C)(CC2(C1(=C)))~    1.170
5957-75-5 Oc1cc(cc2OC(C)(C)C3CC=C(C)CC3(c12))CCCCC~    7.410
5974-93-6 O=C1C=CN(C(=O)N1)C2OC(C=C2)CO~   -1.070
5980-06-3 O=C2NC(c1cnccc1)CC2~   -0.300
5983-08-4 O=C1NC(C(=CN1C2OC(C=C2)CO)C)=S~    0.090
6032-32-2 OCC2OC(Oc1ccc(OC)cc1)C(O)C(O)C2(O)~   -0.730
6051-53-2 O=C(C=Cc1ccccc1(O))C~    2.190
6059-31-0 n2ccc(Nc1ccc(OC)cc1)c3ccc(cc23)Cl~    4.940
6066-49-5 O=C1OC(c2ccccc12)CCCC~    2.800
6083-47-2 O=C(N)c1ccc(cc1)N(C)C~    1.140
6091-81-2 O=C1c2ccccc2(C=NN1C)~    0.610
6092-24-6 OCC2OC(Oc1ccccc1(OC))C(O)C(O)C2(O)~   -1.040
6092-25-7 OCC2OC(Oc1cccc(c1)C)C(O)C(O)C2(O)~   -0.200
6104-41-2 n1cnc(OC)cc1~    0.540
6108-74-3 O=C(NCCCN)c1ccccc1~    0.300
6125-24-2 O=[N+]([O-])CCc1ccccc1~    2.080
6125-90-2 C1(=C(CC)SSC1=S)C~    2.950
6132-21-4 O=C(Oc1cccc(c1)[N+](=O)[O-])NC~    1.390
6136-68-1 N#Cc1cccc(c1)C(=O)C~    1.160
6140-12-1 O=C(Nc1ccccc1C(=O)C)C(Cl)Cl~    2.650
6146-52-7 O=[N+]([O-])c1ccc2[nH]ccc2(c1)~    2.530
6154-30-9 O=[N+]([O-])c1[nH]c(nc1Br)Br~    2.820
6164-77-8 O=C(OC)c1nccnc1(C(=O)OC)~   -0.020
6164-79-0 O=C(OC)c1nccnc1~   -0.230
6164-98-3 N(=CN(C)C)c1ccc(cc1C)Cl~    2.890
6174-95-4 O=C(OCC)C(C(=O)OCC)=C(C(=O)OCC)C(=O)OCC~    2.630
6190-65-4 n1c(nc(nc1NC(C)C)Cl)N~    1.510
6231-18-1 n1c(OC)cccc1OC~    2.300
6265-73-2 O=C(NCCO)c1cnccc1~   -0.110
6270-45-7 O=C1NC(=O)C(C(=O)N1C)(CC)CCC(C)C~    2.450
6282-02-6 O=C(NCO)c1ccccc1~    0.400
6292-90-6 O=C(OCCCC)C(N)Cc1ccc(O)cc1~    1.800
6293-55-6 O=C1C=C(C(=O)C(=C1)Br)C~    1.210
6293-56-7 OCCc1cnccc1~    0.120
6304-27-4 n1ccccc1CCN(C)C~    1.120
6306-24-7 O=C(N)c1ccc(cc1)S(=O)(=O)N~   -0.830
6306-25-8 O=C(O)c1ccc(cc1)NC(=O)N~    0.730
6310-41-4 O=C(Nc1ccccc1SC)C~    1.530
6312-87-4 O=C(Nc2ccc(Oc1ccccc1)cc2)C~    3.130
6317-89-1 O=C(Oc1cccc(c1)NC(=O)C)C~    1.030
6321-94-4 N#Cc1ccc(cc1)NC=O~    1.080
6324-11-4 O=C(O)COc1ccccc1(O)~    0.850
6326-19-8 O=C(OCCc1ccccc1)N~    1.500
6333-79-5 O=S(=O)(NC)c1ccc(cc1)Cl~    1.920
6337-56-0 O=C(Nc1c(cc(O)cc1C)C)C~    0.310
6339-04-4 O=C(O)COc1cccc(c1)NC(=O)C~    0.480
6358-09-4 O=[N+]([O-])c1cc(N)c(O)c(c1)Cl~    1.530
6367-14-2 O=C(NC(C(=O)NC)Cc1ccc(O)cc1)C~   -0.320
6427-66-3 [N-]=[N+]=Nc1ccc(cc1)C(=O)O~    2.540
6448-55-1 O=[N+]([O-])c2oc(C=Cc1nc(cs1)C)cc2~    1.530
6452-49-9 O(c1ccccc1)c2cccc(c2)Cl~    4.750
6452-71-7 OC(COc1ccccc1(OCC=C))CNC(C)C~    2.100
6476-18-2 O=C2NC(=O)C(c1ccccc1)C2(=O)~    2.260
6479-18-1 O=C2C=Nc1ccccc1N2C~    0.790
6480-67-7 O=C(N)c1cnc2ccccc2(c1)~    1.060
6485-40-1 O=C1C(=CCC(C(=C)C)C1)C~    2.710
6493-05-6 O=C2c1c(ncn1C)N(C(=O)N2CCCCC(=O)C)C~    0.290
6497-78-5 O=[N+]([O-])c1ncn(c1)CCN2CCOCC2~   -0.380
6513-23-1 O=C(N)C(NC(=O)C)CSSCC(NC(=O)C)C(=O)N~   -1.700
6526-67-6 O=C(c1ccccc1Cl)N(C)C~    1.540
6526-72-3 O=[N+]([O-])c1ccccc1C(C)C~    3.340
6528-85-4 n1c3ccccc3([nH]c1c2ccccc2(OC))~    3.020
6539-57-7 Oc1ccc(cc1(O))C(O)C(N)C~   -1.430
6549-64-0 O=C3c1ccccc1C(=O)C3(c2cc(cc(c2)C)C)~    4.020
6574-15-8 O=[N+]([O-])c1ccc(cc1)N2CCCCC2~    3.260
6577-34-0 O=C(Nc2ccccc2(c1ccccc1))C3=C(OCCS3)C~    2.540
6577-49-7 O(C)C(c1ccccc1)CN2CCCC2~    1.880
6577-69-1 O=C(O)C1=C(OCCS1)C~    0.040
6587-21-9 FC(F)(F)c1nc2cc(c(cc2([nH]1))Br)Br~    4.150
6600-40-4 O=C(O)C(N)CCC~   -2.110
6626-22-8 O=S(=O)(c1ccc(N)cc1)c2ccc(cc2)Br~    2.850
6626-84-2 O=C(OC)C(=Cc1ccccc1)C(=O)OC~    2.240
6636-22-2 O=C(O)C(N)Cc1ccc(OC(=O)C)cc1~   -1.330
6638-60-4 Nc2ccc3c1ccc(cc1Cc3(c2))Br~    3.920
6639-06-1 O=C(O)CCn2ccc1ccccc12~    2.200
6639-30-1 c1c(c(cc(c1Cl)Cl)Cl)C~    4.560
6641-02-7 Oc1c(cc(cc1Cl)Cl)CO~    2.300
6642-30-4 O=C(OC)NC~   -0.060
6647-92-3 O=C(Nc1cn[nH]c1)C~   -0.380
6652-04-6 O=NN2CCC(c1ccccc1)CC2~    2.590
6657-33-6 N#CCCN(c2ccc(N=Nc1ccc(cc1Cl)[N+](=O)[O-])cc2)CCO~    4.000
6665-86-7 O=C1C=C(Oc2cc(O)ccc12)c3ccccc3~    3.620
6673-35-4 O=C(Nc1ccc(OCC(O)CNC(C)C)cc1)C~    0.790
6673-38-7 O=C(Nc1cccc(OCC(O)CNC(C)C)c1)C~    0.740
6674-22-2 N1=C2N(CCC1)CCCCC2~    1.380
6677-98-1 O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CC~    2.800
6677-99-2 O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CCC~    2.910
6678-14-4 O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CCCCCCC~    5.490
6742-54-7 c1ccc(cc1)CCCCCCCCCCC~    8.140
6755-13-1 O=C(C=Cc1oc(cc1)[N+](=O)[O-])N(C)C~    0.820
6755-16-4 O=C(C=Cc1oc(cc1)[N+](=O)[O-])NCC~    1.390
6756-33-8 O=[N+]([O-])c2oc(C=Cc1ncc[nH]1)cc2~    1.320
6768-22-5 O=C(OCC)C(=Cc1ccccc1(OC))C(=O)OCC~    3.290
6768-23-6 O=C(OCC)C(=Cc1ccc(OC)cc1)C(=O)OCC~    3.280
6770-38-3 O(C)Cc1ccc(cc1)COC~    1.280
6771-54-6 O=C(OCC)C(=Cc1cccc(OC)c1)C(=O)OCC~    3.180
6777-05-5 O=C1NC(=O)CN1Cc2ccccc2~    0.760
6781-42-6 O=C(c1cccc(c1)C(=O)C)C~    1.430
6815-52-7 O=C(NC(=O)C1CCC1)CCC~    0.410
6827-40-3 O=C(OCC)C(=Cc1ccc(cc1)Cl)C(=O)OCC~    3.960
6829-82-9 O=[N+]([O-])c1ccc(cc1)NS(=O)(=O)c2ccc(N)cc2~    2.140
6842-62-2 O(c1ccc(cc1)Cl)c2cccc(c2)Cl~    5.130
6853-14-1 OC(c1ccccc1)CN(C)C~    1.540
6863-74-7 N#Cc1nc(cnc1)Cl~    0.790
6876-65-9 O=C(N(c1ccccc1)c2ccc(cc2)C)C~    3.050
6905-47-1 n1cc(nc(N)c1)OC~    0.730
6921-29-5 C#CCN(CC#C)CC#C~    1.270
6924-68-1 O=C(OCC)c1nccnc1~    0.280
6926-58-5 NNC(N(C)C)=S~   -0.300
6935-65-5 O=C(c1cccc(c1)C)N(C)C~    1.600
6937-52-6 O=C(c1ccc(cc1)C)N(C(C)C)C(C)C~    2.500
6938-06-3 O=C(OCCCC)c1cnccc1~    2.270
6943-00-6 O=C2N(c1ccc(cc1)Cl)C(=O)CC2~    0.960
6947-77-9 O=C1NC(=O)C2(C(=O)N1)(CC2)~   -0.530
6960-42-5 O=[N+]([O-])c2cccc1cc[nH]c12~    2.630
6961-82-6 O=S(=O)(N)c1ccccc1Cl~    0.740
6963-66-2 O=[N+]([O-])c1[nH]cnc1Cl~    0.780
6966-38-7 O=S(=O)(Nc1cccc(c1)NS(=O)(=O)C)C~    0.070
6971-38-6 O=Nc1ccc(O)c(c1)C~    1.710
6972-05-0 NC(N(C)C)=S~   -0.430
6972-69-6 O=C(c1cnccc1)N(C)C~   -0.480
6975-29-7 O=C(Nc1ccc(cc1Cl)Cl)C~    2.180
6981-04-0 n1cc(c(nc1N)N)Cc2ccc(OC)c(OC)c2(OC)~    1.520
6987-59-3 O=C1OC4(CC1)(CCC3C5CC6(C2=CC(=O)CCC2(C)C5(CCC34(C)))(CC6))~    3.150
6988-21-2 O=C(Oc1ccccc1C2OCCO2)NC~    0.670
6996-81-2 O(CC)P(OCC)(C)=S~    2.080
7005-72-3 O(c1ccccc1)c2ccc(cc2)Cl~    4.700
7068-83-9 O=NN(C)CCCC~    1.080
7073-42-9 O=C(Nc1ccc(OC)c(c1)Cl)C~    1.810
7090-25-7 O=NN(C(=O)Oc1cccc2ccccc12)C~    2.850
7090-41-7 c1c2c(cc(c1Cl)Cl)c3cc(c(cc23)Cl)Cl~    6.140
7093-67-6 O=C(O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN~   -3.310
7101-51-1 O=C(OC)C(N)Cc1ccc(O)c(O)c1~   -0.210
7116-95-2 c1ccc(cc1)c2ccc(cc2)C(C)C~    5.510
7145-60-0 n1nc(ccc1N(C)C)Cl~    0.980
7146-68-1 O=S(=O)(c1ccc(N)cc1)c2ccc(cc2)Cl~    2.570
7147-89-9 O=[N+]([O-])c1cc(c(cc1(O))C)Cl~    2.930
7149-79-3 O=C(Nc1ccc(c(c1)Cl)C)C~    2.690
7153-23-3 n1ccnc2cc(c(cc12)C)C~    2.290
7154-31-6 O=C(Nc1ccccc1)c2ccc(cc2)C(=O)Nc3ccccc3~    3.720
7154-73-6 NCCN1CCCC1~    0.080
7159-97-9 O=C(Nc1ccc(cc1)[N+](=O)[O-])N(C)C~    1.510
7159-98-0 O=C(Nc1cccc(c1)[N+](=O)[O-])N(C)C~    1.460
7160-02-3 O=C(Nc1ccc(OC)cc1)N(C)C~    0.830
7160-22-7 O=C(Nc1ccc(c(c1)Cl)Cl)C(C)(C)C~    3.880
7195-27-9 O=S(=O)(N)c1cc(ccc1Cl)S(=O)(=O)N(C)CC2(OCCC2)(C)~    1.540
7203-91-0 O=C(O)c1ccc(N=NN(C)C)cc1~    2.330
7205-98-3 O=S(=O)(c1ccccc1)CCl~    1.240
7207-62-7 O=C(OCC2OC(N1C=C(F)C(=O)NC1(=O))CC2(OC(=O)CCCC))CCCC~    2.720
7209-38-3 NCCCN1CCN(CC1)CCCN~   -1.430
7225-96-9 O=C(Oc1cccc(OCC)c1)NC~    1.750
7227-91-0 N(=NN(C)C)c1ccccc1~    2.590
7234-31-3 OCC2OC(Oc1ccccc1C)C(O)C(O)C2(O)~   -0.160
7242-04-8 O=C1OCC(=C1)C6C(OC(=O)C)CC7(O)(C8CCC5CC(OC4OC(C)C(OC3OC(C)C(OC2OC(C)C(OC(=O)C)C(OC(=O)C)C2)C(OC(=O)C)C3)C(OC(=O)C)C4)CCC5(C)C8(CCC67(C)))~    3.460
7244-70-4 O=C(Oc1ccc(cc1)[N+](=O)[O-])N(C)C~    1.500
7244-78-2 O=[N+]([O-])c1ccc(OCCCC)cc1~    3.500
7251-61-8 n1cc(nc2ccccc12)C~    1.610
7261-97-4 O=C3NC(=O)CN3(N=Cc1oc(cc1)c2ccc(cc2)[N+](=O)[O-])~    1.700
7265-01-2 OCC2OC(Oc1ccccc1(N))C(O)C(O)C2(O)~   -1.230
7287-19-6 n1c(nc(nc1NC(C)C)SC)NC(C)C~    3.510
7287-36-7 O=C(Nc1ccc(cc1)Cl)C(C)(C)CCC~    3.830
7290-99-5 O=C(c1cccc(OC)c1)N(C)C~    1.000
7291-00-1 O=C(c1ccc(OC)cc1)N(C)C~    0.960
7291-34-1 O=C(c1ccccc1(OC))N(C)C~    0.710
7292-16-2 O=P(Oc1ccc(cc1)SC)(OCCC)OCCC~    3.670
7295-76-3 n1cccc(OC)c1~    0.990
7305-03-5 O=C(Oc1ccc(cc1)Cl)N(C)C~    2.270
7305-06-8 O=C(Oc1ccccc1C)N(C)C~    1.860
7305-08-0 O=C(Oc1ccc(cc1)C)N(C)C~    2.030
7319-45-1 n1cc(c(nc1N)N)Cc2ccccc2~    1.580
7320-97-0 O=C(O)CC(C)CC(=O)c1ccc(cc1)c2ccccc2~    3.820
7335-35-5 O=C(NO)Nc1ccccc1~    0.410
7336-36-9 O=C1C=C3C(=CC=C1(OC))c2c(OC)c(O)c(OC)cc2CCC3(NC(=O)C)~    0.480
7359-72-0 c1cc(c(c(c1C)Cl)Cl)Cl~    4.560
7374-06-3 O=C(Oc1ccccc1[N+](=O)[O-])NC~    1.020
7376-90-1 O=C(N)C(NC(=O)C)Cc1ccccc1~   -0.040
7388-31-0 O(c1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)Cl)C~    4.470
7402-22-4 O=C2N(c1ccccc1Cl)C(=O)CC2~    0.560
7403-41-0 O=C(NCC)c1ccc(OC)cc1~    1.140
7411-23-6 n1[nH]c(nc1Br)Br~    2.240
7411-79-2 O=S(=O)(Nc1cnc(nc1C)C)c2ccc(N)cc2~    0.590
7413-36-7 O=[N+]([O-])c1ccc(cc1)C(O)CNC(C)C~    1.280
7420-37-3 Oc1cccc(C=NNC(N)=S)c1~    1.610
7423-55-4 O=C(O)CCN1C(=O)C=CC1(=O)~    0.040
7424-54-6 O=C(CC(=O)CC)CC~    1.120
7433-42-3 O=C(N)N(O)CC~   -0.100
7433-43-4 O=C(N)N(O)C~   -0.460
7463-28-7 O=C(Nc1ccc(cc1)N(C)C)C~    1.000
7463-31-2 O=C(Nc1cccc(c1)C(=O)C)C~    1.060
7463-35-6 O=C(Nc1cccc(c1C)Cl)C~    1.820
7464-68-8 O=[N+]([O-])c1ncn(c1C)C~   -0.110
7466-48-0 O=C(C=Cc1cccc(c1)[N+](=O)[O-])C~    1.880
7474-95-5 O=C(Nc1cccc(c1)N(C)C)C~    1.290
7481-88-1 O=C1N=C(N)C=CN1C2OC(C=C2)CO~   -1.550
7481-89-2 O=C1N=C(N)C=CN1C2OC(CO)CC2~   -1.300
7487-94-7 Cl[Hg]Cl~   -0.220
7491-74-9 O=C(N)CN1C(=O)CCC1~   -1.540
7495-11-6 O=C(Nc1ccc(cc1)Br)Cc2ccccc2~    3.700
7520-68-5 n1cc(c(nc1N)N)Cc2cc(c(c(c2)Cl)Cl)Cl~    3.640
7547-18-4 O=C(O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3)COc4ccccc4Cl~    2.670
7547-20-8 O=C(O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3)COc4ccc(cc4Cl)Cl~    3.400
7556-99-2 n1cnc2cc(ccc2(c1))Cl~    1.740
7576-65-0 O=C1c4ccccc4(C(=O)C1c2nc3ccccc3(cc2(O)))~    5.000
7580-85-0 OCCOC(C)(C)C~    0.390
7597-60-6 O=CNC=1C(=O)N(C(=O)N(C=1(N))C)C~   -0.640
7598-61-0 O=P(OCC)(OCC)CC(OCC)OCC~    0.690
7612-96-6 C(=Nc2ccc(N=Nc1ccccc1)cc2)=S~    5.550
7658-80-2 O=C(NN)c1ccccc1C~    0.220
7681-15-4 O=C(OCCC)c1cnccc1~    1.940
7682-32-8 FC(F)(F)c2nc1c(cc(c(c1Br)Br)Br)[nH]2~    4.080
7696-12-0 O=C(OCN1C(=O)C2=C(C1(=O))CCCC2)C3C(C=C(C)C)C3(C)(C)~    4.730
7700-17-6 O=C(OC(c1ccccc1)C)C=C(OP(=O)(OC)OC)C~    3.300
7703-36-8 N#CC=1C(=O)OC(=CN(C)C)C=1c2ccccc2~    1.070
7722-15-8 [O-][N+]2=C(c1ccccc1)c3cc(ccc3(N=C(N)C2))Cl~    2.130
7728-40-7 O=C(Nc1c(cccc1C)C)CNCC~    1.320
7729-78-4 O=C1NC(NC(=O)C1(C)C)=S~    0.500
7738-99-0 c1cc(ccc1C2NCCS2)Cl~    2.100
7764-50-3 O=C1CC(C(=C)C)CCC1C~    2.850
7778-85-0 O(C)CC(OC)C~   -0.090
7781-98-8 O=C(OCC)c1cccc(O)c1~    2.470
7786-34-7 O=C(OC)C=C(OP(=O)(OC)OC)C~    0.130
7787-20-4 O=C2C1(C)(CCC(C1)C2(C)C)~    3.520
8003-22-3 O=C1c4ccccc4(C(=O)C1c2nc3ccccc3(cc2))~    4.100
8050-35-9 O=C(c1ccccc1)C(O)c2ccccc2~    2.130
10051-63-5 O=C(Oc1cccc(c1)C(=O)CC)NC~    1.490
10057-27-9 O=C(C(F)(F)F)C(F)(F)F~    1.460
10061-01-5 C(=CCl)CCl~    2.050
10075-50-0 c1cc2cc(ccc2([nH]1))Br~    3.000
10113-28-7 O=P(Oc1ccccc1)(OC)OC~    1.220
10118-89-5 O=C(N)C=3C(=O)C4(O)(C(O)=C2C(=O)c1c(O)c(ccc1CC2CC4(C(C=3(O))N(C)C))N(C)C)~   -0.070
10124-85-3 O=C(C=C)NCCc1nc[nH]c1~   -0.210
10176-39-3 O=COC1CC(OC(C)C1(OC=O))OC8C(OC(OC7C(OC(OC6CCC5(C)(C(CCC3C5(CCC4(C)(C(C2=CC(=O)OC2)C(OC=O)CC34(O))))C6))CC7(OC=O))C)CC8(OC=O))C~    3.160
10176-63-3 N#Cc2cc(c1ccccc1)c(nc2Cl)C~    3.240
10206-21-0 N#CCC(=O)NC2C(=O)N1C(C(=O)O)=C(COC(=O)C)CSC12~   -0.450
10215-89-1 O=C1OC3C(C1(=C))C(OC(=O)C(=CC)C)CC2(OC2)C4C(OC(=O)C)C=C(C)C34(O)~    0.760
10222-01-2 N#CC(C(=O)N)(Br)Br~    0.820
10245-51-9 O=C(OCN1C(=O)c3cccc2cccc(C1(=O))c23)C~    2.340
10247-71-9 O=C2OC3CC1=CC(OC1(=O))CC4(OC4(C(O)C3(C2(=C))))(C)~   -0.640
10265-92-6 O=P(OC)(N)SC~   -0.800
10268-78-7 O=C(Nc1cccc(c1)NC(=O)C)C~    0.500
10269-25-7 c1ccc(cc1)C2=C(C(=S)SS2)C~    3.950
10286-75-6 O=C(Nc1ccc(c(c1)Cl)Cl)c2ccccc2~    4.420
10311-84-9 O=C1c2ccccc2(C(=O)N1C(CCl)SP(OCC)(OCC)=S)~    4.690
10316-00-4 O2CCN(Cc1ccccc1)CC2~    1.580
10319-35-4 C(=Nc1ccc(cc1)C=Cc2ccccc2)=S~    5.850
10338-69-9 c1ccc(cc1)C2=CCNCC2~    1.990
10342-59-3 O=[N+]([O-])c1ccc(cc1)CCC~    3.450
10342-85-5 O=C(c1ccc(cc1)N2CCCCC2)C~    3.130
10345-79-6 O=C(c1ccccc1Cl)N(CC)CC~    2.100
10346-41-5 O=C(N)C(NC(=O)C)Cc2c[nH]c1ccccc12~    0.420
10349-09-4 n1onc(c1c2ccccc2)C~    2.590
10349-14-1 n1onc(c1N)c2ccccc2~    1.810
10350-68-2 n1oc(nc1c2ncccc2)C~    0.790
10352-44-0 O=C(Nc1ccc(cc1)SC)C~    2.030
10354-48-0 O=C(NCc1ccccc1)c2occc2~    1.810
10354-55-9 O=C(NCCCC)c1cnccc1~    0.900
10363-40-3 O=P(Oc1ccc(cc1Cl)Cl)(OC)NC~    2.410
10379-14-3 O=C1N(c3ccc(cc3(C(=NC1)C2=CCCCC2))Cl)C~    3.200
10390-44-0 O=C(O)C3=C(COC(=O)C)CSC2N3(C(=O)C2(NC(=O)COc1ccccc1))~    0.260
10394-96-4 N#CC(C#N)=C(c1ccccc1)c2ccccc2~    3.550
10397-59-8 O=C(N(C)C)COc1ccccc1~    0.800
10443-70-6 O=C(OCC)CCCOc1ccc(cc1C)Cl~    4.260
10453-86-8 O=C(OCc1coc(c1)Cc2ccccc2)C3C(C=C(C)C)C3(C)(C)~    6.140
10518-85-1 O=C(NC)c1ccc(cc1)S(=O)(=O)N~   -0.310
10533-83-2 O=C(c1ccccc1)N(C)S(=O)(=O)c2ccc(cc2)C~    2.950
10542-87-7 O=C(C=Cc1ccccc1(OC))C~    2.420
10543-21-2 O(c1ccc(cc1)C(c2ccc(OC)cc2)C)C~    4.520
10548-10-4 O=S(CSP(OCC)(OCC)=S)C(C)(C)C~    2.210
10552-94-0 O=NN1CC=CC1~    0.260
10605-21-7 O=C(OC)Nc1nc2ccccc2([nH]1)~    1.520
11141-17-6 O=C(OC1CC(OC(=O)C)C3(C(=O)OC)(COC2C(O)C(C)(C4C(O)(OCC14(C23))C(=O)OC)C78(OC8(C)(C6CC7(OC5OC=CC56(O))))))C(=CC)C~    1.090
12192-57-3 OCC1OC(C(O)C(O)C1(O))S[Au]~   -2.500
13004-52-9 Oc1ccc(cc1)C(c2ccc(O)cc2)c3nccs3~    2.960
13010-47-4 O=NN(C(=O)NC1CCCCC1)CCCl~    2.830
13017-11-3 O=C(OC2CC1=CC(OC1(=O))CC4(OC4(C3OC(=O)C(=C)C23))(C))C(=C)C~    0.690
13021-15-3 c1c(cc(c(c1C)N(C)C)C)C~    4.410
13029-08-8 c1ccc(c(c1)c2ccccc2Cl)Cl~    4.970
13031-39-5 O=C(Oc1cccc(c1)Cl)C~    2.320
13042-33-6 O=C(O)CNC(=O)CCC(C)C1CCC2C3CC(O)C4CC(O)CCC4(C)(C3(CCC12(C)))~    2.150
13050-47-0 O=C(NN)c1cccc(c1)C~    0.740
13053-81-1 O=C(Nc1cccs1)C~    1.100
13053-88-8 O=C(Nc1ncccn1)C~   -0.750
13067-93-1 N#Cc2ccc(OP(OCC)(c1ccccc1)=S)cc2~    4.290
13070-01-4 N1C(CCCC1)=S~    0.130
13071-79-9 O(CC)P(OCC)(=S)SCSC(C)(C)C~    4.480
13074-09-4 O=[N+]([O-])c1ccc(OP(OC)(OC)=S)cc1CC~    3.740
13074-11-8 O=[N+]([O-])c1ccc(OP(=O)(OC)OC)cc1C(C)C~    2.570
13080-90-5 OC2CC1C=CC2(C1)~    0.990
13087-49-5 O=C1NC(=O)N(C=2NC(=O)N(C1=2)C)C~   -1.330
13089-48-0 O=C1N=C(C=CN1C2OC(CO)C(O)C2(O))NC(=O)c3ccccc3~    0.300
13114-87-9 O=C(N)Nc1cccc(c1)C(F)(F)F~    2.310
13116-53-5 C(C(CCl)(Cl)Cl)Cl~    2.720
13132-25-7 Oc1ccc(cc1)[Si](C)(C)C~    3.840
13140-73-3 O=C(Nc1cccc(c1)Br)Cc2ccccc2~    3.770
13140-77-7 O=C(Nc1ccc(cc1)[N+](=O)[O-])Cc2ccccc2~    3.180
13140-89-1 O=C(Nc1ccccc1)NC2CCCC2~    2.650
13156-74-6 O=C(C=Cc1ccccc1)N(C)C~    1.730
13156-75-7 O=C(c1occc1)N(C)C~    0.410
13171-21-6 O=C(C(=C(OP(=O)(OC)OC)C)Cl)N(CC)CC~    0.790
13205-48-6 O=C(O)c1ccc(cc1)SC~    2.740
13206-67-2 O=NN(C(=O)Nc1ccccc1)CCCl~    2.490
13207-66-4 Oc1ccc(N)c2cccnc12~   -0.110
13214-66-9 NCCCCc1ccccc1~    2.400
13229-35-1 O=S(=O)(N(c1ccccc1)C)C~    1.020
13256-06-9 O=NN(CCCCC)CCCCC~    3.860
13258-63-4 n1ccc(cc1)CCN~   -0.010
13276-17-0 O=C(C=C)NCCN1CCOCC1~   -0.550
13278-36-9 O=C(O)c2ccccc2(Nc1cccc(c1)Cl)~    5.430
13290-48-7 O=C(c1cccc(c1)C)N2CCCCC2~    2.600
13311-84-7 O=C(Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])C(C)C~    3.350
13358-11-7 O=C1N(C(=O)C3C1C2(C=CC3(CC2)C(C)C)(C))CC(CC)CCCC~    5.960
13360-45-7 O=C(Nc1ccc(c(c1)Cl)Br)N(OC)C~    3.090
13373-32-5 O=[N+]([O-])c1nc([nH]c1)C(C)C~    0.900
13389-42-9 C(=CCCCCC)C~    4.510
13410-84-9 O=C2NC(=S)SC2(=Cc1oc(cc1)[N+](=O)[O-])~    0.740
13411-16-0 O=[N+]([O-])c2oc(C=Cc1nc(ccc1)CO)cc2~    1.370
13414-55-6 O=[N+]([O-])c2cccc1c2(OC(C)(C)C1)~    3.330
13425-98-4 O=S(=O)(OCCCNCCCOS(=O)(=O)C)C~   -1.710
13438-65-8 O=C(N)c1cccnc1(N)~    0.880
13441-66-2 O=C(NC(C1OC(C(O)C(O)C1(O))SC)C(C)Cl)C2N(CC)CC(CCC)C2~    2.510
13450-66-3 n1cccc(c1)CCN2CCCCC2~    1.660
13460-15-6 O=S2(=O)(NC(=Nc1ccc(cc12)Br)C)~    1.370
13460-16-7 O=S2(=O)(NC(=Nc1ccc(cc12)Cl)C(C)(C)C)~    2.400
13460-17-8 O=S2(=O)(NC(=Nc1cc(ccc12)Cl)C3CC3)~    1.980
13466-78-9 C1=C(C)CC2C(C1)C2(C)(C)~    4.380
13476-55-6 O=C(OCCCCCC)c1ccc(N)cc1~    3.960
13481-25-9 N#Cc1nccnc1(C#N)~    0.380
13523-86-9 OC(COc1cccc2[nH]ccc12)CNC(C)C~    1.750
13538-14-2 O=[N+]([O-])c1ccc(OP(=O)(OCC)C(C)(C)C)cc1~    2.400
13538-26-6 O=C(Oc1cc(cc(c1)Cl)Cl)NC~    3.030
13538-27-7 O=C(Oc1ccccc1Br)NC~    1.770
13538-28-8 O=C(Oc1ccccc1I)NC~    1.940
13538-51-7 O=C(Oc1ccc(cc1)I)NC~    2.460
13538-54-0 O=C(Oc1ccc(OCC)cc1)NC~    1.630
13538-60-8 O=C(Oc1cccc(c1)Br)NC~    2.250
13540-50-6 c1ccc(cc1)Cc2cc(ccc2C)C~    5.650
13551-86-5 O=[N+]([O-])c1nccn1CC(O)CCl~    0.150
13551-87-6 O=[N+]([O-])c1nccn1CC(O)COC~   -0.370
13551-89-8 O=[N+]([O-])c1nccn1CC(O)CF~   -0.520
13551-91-2 O=[N+]([O-])c1nccn1CC(O)C~   -0.160
13551-92-3 O=[N+]([O-])c1nccn1CC(O)CO~   -0.960
13552-46-0 O=C(c1ccc(cc1)C)CCN2CCCCC2~    3.550
13575-92-3 OC2c1ccccc1CCC2(N)~    0.840
13584-27-5 O=C(N)C1=C(OCCS1)C~   -0.220
13593-03-8 n1cc(nc2ccccc12)OP(OCC)(OCC)=S~    4.440
13603-07-1 O=NN1CCCC(C)C1~    0.990
13641-62-8 OCC=CC#CC#Cc1ccccc1~    2.480
13655-52-2 OC(COc1ccccc1CC=C)CNC(C)C~    3.100
13674-84-5 O=P(OC(C)CCl)(OC(C)CCl)OC(C)CCl~    2.590
13674-87-8 O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl~    3.650
13678-98-3 C(C#Cc1ccccc1)#CC=CC~    4.760
13684-56-5 O=C(Oc1cccc(c1)NC(=O)OCC)Nc2ccccc2~    3.390
13684-63-4 O=C(Oc1cccc(c1)NC(=O)OC)Nc2cccc(c2)C~    3.590
13725-30-9 O=C(OC)Nc1ccccc1[N+](=O)[O-]~    2.100
13780-91-1 O=C(Nc1ccc(O)c(c1)C(C)C)C~    1.710
13781-53-8 N#CCc1ccsc1~    1.260
13781-66-3 O=C(N)Cc1ccsc1~    0.310
13871-68-6 O=C(Oc1ccc(N)cc1)C~    0.450
13907-57-8 O=NN(C(=O)NC1CCC(NC(=O)N(N=O)CCCl)CC1)CCCl~    2.740
13907-78-3 O=NN(C(=O)Nc1ccc(cc1)Cl)CCCl~    3.160
13908-92-4 O=NN(C(=O)NCCCl)CCF~    0.960
13908-98-0 O=NN(C(=O)NC1CCC(NC(=O)N(N=O)CCF)CC1)CCF~    1.340
13909-02-9 O=NN(C(=O)NC1C(=O)NC(=O)CC1)CCCl~    0.370
13909-03-0 O=NN(C(=O)NC1CCCC1)CCCl~    2.200
13909-09-6 O=NN(C(=O)NC1CCC(C)CC1)CCCl~    3.300
13909-11-0 O=NN(C(=O)NC1CCCCC1Cl)CCCl~    2.730
13909-13-2 O=NN(C(=O)NC2CC1CCC2(C1))CCCl~    2.980
13909-14-3 O=NN(C(=O)NC1CCCCCCCCCCC1)CCCl~    5.640
13909-21-2 O=NN(C(=O)Nc1cccc(OC)c1)CCCl~    2.660
13909-63-2 O=C(Nc1ccccc1)NS(=O)(=O)c2ccc(cc2)C~    3.110
13909-64-3 O=C(NCCCC)NS(=O)(=O)c1ccc(cc1)Cl~    2.810
13909-73-4 O=C(c1ccc(OC)c(OC)c1(OC))C~    1.630
13925-00-3 n1ccnc(c1)CC~    0.690
13925-06-9 n1ccnc(c1C)CC(C)C~    1.960
13932-40-6 n1cc(c(nc1N)N)Cc2ccc3OCOc3(c2)~    1.510
13935-96-1 O=C3c1ccccc1C(=O)C3(c2ccc(cc2)C(C)(C)C)~    4.880
13936-01-1 O=C3c1ccccc1C(=O)C3(c2cc(cc(c2)C(C)(C)C)C(C)(C)C)~    6.860
13941-09-8 O=C(Oc1cccc(c1)I)NC~    2.520
14005-50-6 n2c(nc(c1ccccc1)c3ccccc23)N~    2.950
14008-60-7 O=C(N)c1cccc(c1(O))C~    2.120
14039-10-2 O=NN(C(=O)NC23(CC1CC(CC(C1)C2)C3))CCCl~    3.560
14062-34-1 O=C(NN)c1cccc(N)c1~   -0.860
14062-61-4 OCC2OC(Oc1cccc(OC)c1)C(O)C(O)C2(O)~   -0.520
14080-23-0 N#Cc1ncccn1~   -0.310
14080-32-1 O=[N+]([O-])c1cncnc1~   -0.050
14088-71-2 OC(c1ccc(cc1)Cl)(c2ccc(cc2)Cl)C3CC3~    5.500
14098-24-9 O1c2ccccc2(OCCOCCOCCOCCOCC1)~    0.580
14098-44-3 O1c2ccccc2(OCCOCCOCCOCC1)~    0.910
14187-32-7 O1c3ccccc3(OCCOCCOc2ccccc2(OCCOCC1))~    2.200
14243-64-2 c1ccc(cc1)P(c2ccccc2)(c3ccccc3)=[Au]Cl~    2.500
14294-09-8 NC(N1CCCCC1)=S~    0.730
14308-65-7 O=C(C=Cc1oc(cc1)[N+](=O)[O-])NC~    0.980
14309-40-1 O=C(OCCCCCCC)c1ccc(N)cc1~    4.500
14309-41-2 O=C(OCCCCCCCC)c1ccc(N)cc1~    5.020
14315-11-8 c1cc(c2ccsc2(c1))C~    3.570
14315-15-2 c2cc1ccsc1c(c2)C~    3.850
14321-27-8 c1ccc(cc1)CNCC~    1.820
14342-36-0 NC3CC2c1ccccc1C3(CC2)~    2.310
14377-21-0 O=C(O)Cc1ccc(cc1)CCCCC~    3.750
14377-22-1 O=C(O)Cc1ccc(cc1)CCCCCC~    4.250
14433-36-4 O=C(NC(CO)C(O)c1ccc(cc1)C(=O)C)C(Cl)Cl~    0.570
14488-51-8 CC[Sn]CC~   -1.400
14496-34-5 o1cccc1CN(C)C~    1.190
14508-49-7 n1ccnc(c1)Cl~    0.700
14548-30-2 O=C(c1ccncc1)c2ccc(cc2)C~    2.510
14548-46-0 O=C(c1ccncc1)c2ccccc2~    1.980
14548-47-1 O=C(c1ccncc1)c2ccc(OC)cc2~    1.940
14556-46-8 OC(COc1cc(ccc1Cl)C)CNC(C)(C)C~    2.970
14559-54-7 O=S2(=O)(NC(=Nc1cc(ccc12)Cl)C)~    1.210
14598-72-2 O=C(OC)CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])Cl~    1.300
14659-10-0 c1ccc(cc1)CC2=CC(=S)SS2~    3.430
14667-55-1 n1cc(nc(c1C)C)C~    0.950
14698-29-4 O=C(O)C1=CN(c2cc3OCOc3(cc2(C1(=O))))CC~    0.940
14757-80-3 O=C(c1cocc1)N(C)C~    0.240
14769-09-6 O=C(OC)CS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]~    0.780
14769-73-4 N2=C1N(CCS1)CC2c3ccccc3~    1.840
14773-50-3 n1cccc(OCC)c1~    1.440
14803-72-6 O=C(OC)Nc1ccc(OC)cc1~    1.730
14803-73-7 O=C(OC)Nc1ccccc1(OC)~    1.840
14804-32-1 O(c1ccccc1CC)C~    3.180
14805-91-5 O=C(c1ncccc1)N(C)C~   -0.450
14816-18-3 N#CC(=NOP(OCC)(OCC)=S)c1ccccc1~    4.390
14838-15-4 OC(c1ccccc1)C(N)C~    0.750
14884-01-6 n1cc(OC)c[nH]1~    0.370
14885-29-1 O=[N+]([O-])c1cnc(n1C)C(C)C~    1.360
14896-01-6 O=C(OCC5C=2C(=O)C(Nc1ccccc1)=C(C(=O)C=2N4CC3NC3C45(OC))C)N~    1.300
14901-07-6 O=C(C=CC1=C(C)CCCC1(C)C)C~    3.840
14908-48-6 O=C(c1ccc(OC)cc1)N(N)C~    1.000
14920-81-1 O=C(OC)c1c(cccc1C)C~    2.550
14930-96-2 O=C2OC34(C(=O)NC(Cc1ccccc1)C4(C(C(=C)C(O)C3(C=CCC(C)CCCC(O)C=C2))C))~    3.370
14938-35-3 Oc1ccc(cc1)CCCCC~    4.060
14946-02-2 n1c(nc(nc1C(Cl)(Cl)Cl)SC)N~    3.120
14983-92-7 O=C(OC)Nc1ccccc1C~    1.690
14984-65-7 O=P(OCC)(N1CC1(C)C)N2CC2(C)C~    1.020
15006-14-1 O=C2N3c1ccccc1C46(CCN5CC7CCOC(C2)C(C34)C7(CC56))~    1.620
15009-91-3 O=[N+]([O-])c1ncccc1~    0.480
15011-28-6 Oc2ccc(c1c2(nccc1C))C~    2.710
15062-75-6 O=C2Oc1c(cc(cc1S2)C)C~    3.250
15104-03-7 O=NN1CCC(C)CC1~    1.050
15104-61-7 C(C(Cl)Cl)(C(Cl)Cl)Cl~    3.230
15210-60-3 NC12(CC3(C)(CC(C)(C1)CC(C)(C2)C3))~    4.010
15258-73-8 OCc1c(cccc1Cl)Cl~    2.020
15307-71-8 O=C(O)Cc2ccccc2(Nc1c(ccc(c1Cl)C)Cl)~    4.930
15307-86-5 O=C(O)Cc2ccccc2(Nc1c(cccc1Cl)Cl)~    4.510
15379-32-5 O=C1NC(=O)C(C(=O)N1)(CC)C(C)(C)C~    1.380
15386-99-9 O=C2N(c1cccc(c1)Cl)C(=O)CC2~    0.980
15414-78-5 O=C2NC(=O)CN2(c1ccccc1)~    0.830
15432-98-1 O=C3c1ccccc1C(=O)C3(c2cccc(c2)C)~    3.460
15446-25-0 O=C(OC)CS(=O)(=O)c1ccc(cc1)Cl~    1.310
15457-05-3 O=[N+]([O-])c2ccc(Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)cc2~    3.650
15468-86-7 n1c(nc(nc1NCC=C)Cl)NCC=C~    2.750
15529-90-5 CCP(CC)(CC)=[Au]Cl~    0.750
15582-85-1 O=C(N)CCCc1ncccc1~   -0.010
15583-16-1 n1ccccc1CCCN~    0.490
15676-16-1 O=C(NCC1N(CC)CCC1)c2cc(ccc2(OC))S(=O)(=O)N~    0.570
15686-71-2 O=C(O)C3=C(C)CSC2N3(C(=O)C2(NC(=O)C(N)c1ccccc1))~   -0.580
15687-27-1 O=C(O)C(c1ccc(cc1)CC(C)C)C~    3.970
15707-23-0 n1ccnc(c1C)CC~    1.070
15707-24-1 n1ccnc(c1CC)CC~    1.510
15725-14-1 O=C(C(=Cc1ccccc1Cl)C(=O)C)C~    2.190
15725-15-2 O=C(C(=Cc1cccc(c1)Cl)C(=O)C)C~    2.260
15725-16-3 O=C(C(=Cc1ccccc1(OC))C(=O)C)C~    1.730
15725-17-4 O=C(C(=Cc1ccc(OC)cc1)C(=O)C)C~    1.730
15725-18-5 O=C(C(=Cc1ccc(OC)cc1(OC))C(=O)C)C~    1.880
15725-22-1 O=C(OCC)C(=Cc1ccccc1Cl)C(=O)C~    2.840
15725-26-5 O=C(OCC)C(=Cc1ccc(OC)cc1)C(=O)C~    2.460
15725-27-6 O=C(OCC)C(=Cc1cccc(OCC)c1)C(=O)C~    2.710
15725-29-8 O=C(OCC)C(=Cc1ccc(cc1Cl)Cl)C(=O)C~    3.670
15725-30-1 O=C(OCC)C(=Cc1c(cccc1Cl)Cl)C(=O)C~    2.860
15725-31-2 O=C(OCC)C(=Cc1ccc(c(c1)Cl)Cl)C(=O)C~    3.920
15725-32-3 O=C(OCC)C(=Cc1ccc(OC)cc1(OC))C(=O)C~    2.410
15725-33-4 O=C(OCC)C(=Cc1cccc(c1)C)C(=O)OCC~    3.550
15725-37-8 O=C(OCC)C(=Cc1cccc(OCC)c1)C(=O)OCC~    3.390
15725-38-9 O=C(OCC)C(=Cc1cccc(OCCC)c1)C(=O)OCC~    4.000
15725-39-0 O=C(OCC)C(=Cc1cccc(OCCCC)c1)C(=O)OCC~    4.030
15795-19-4 O=C(C(=Cc1ccc(cc1)Br)C(=O)C)C~    2.750
15804-68-9 O=C(N)C(=Cc1cccc(OC)c1)C(=O)N~    0.010
15806-38-9 O=C(Oc1ccccc1)CC(C)C~    3.180
15818-09-4 O=C(C(=Cc1ccc(cc1)C)C(=O)C)C~    2.140
15818-10-7 O=C(C(=Cc1cccc(OC)c1)C(=O)C)C~    1.790
15818-13-0 O=C(OCC)C(=Cc1ccc(OC)c(OC)c1)C(=O)OCC~    2.890
15851-93-1 O=[N+]([O-])C=Cc1cc(ccc1Cl)[N+](=O)[O-]~    2.230
15851-94-2 O=C(C(=Cc1ccc(F)cc1)C(=O)C)C~    1.650
15861-36-6 N#Cc1ccc2cc[nH]c2(c1)~    2.380
15888-02-5 O=C(N)C(=Cc1cccc(c1)C)C(=O)N~    0.400
15893-46-6 O=C(N)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2~    1.130
15907-82-1 O=C(Nc1ccc(c(c1)Cl)Cl)C2CCCC2~    4.470
15913-35-6 O=C2C(=Cc1oc(cc1)[N+](=O)[O-])SC(N2C)=S~    1.060
15948-56-8 O=C(N)C(=Cc1cccc(F)c1)C(=O)N~    0.100
15950-66-0 Oc1ccc(c(c1Cl)Cl)Cl~    3.800
15959-53-2 O=S(=O)(N)Nc1ccccc1~    0.400
15962-47-7 O=C(N)C(NC(=O)C)C~   -1.520
15968-05-5 c2cc(c(c1c(cccc1Cl)Cl)c(c2)Cl)Cl~    5.940
15972-60-8 O=C(N(c1c(cccc1CC)CC)COC)CCl~    3.520
15981-93-8 O=C1N=C(C=CN1C2OC(COC(=O)C)C(OC(=O)C)C2(OC(=O)C))NC(=O)C~   -0.160
16018-79-4 O=C(NC(=N)N)Nc1cccc(c1)[N+](=O)[O-]~    1.280
16053-34-2 O=C(Nc1cccc(OCC)c1)Cc2ccccc2~    3.230
16063-69-7 n1c(cc(cc1Cl)Cl)Cl~    2.680
16096-32-5 c2cc1[nH]ccc1c(c2)C~    2.540
16110-09-1 n1cc(ccc1Cl)Cl~    2.400
16110-51-3 O=C(O)C=3Oc4cccc(OCC(O)COc2cccc1OC(=CC(=O)c12)C(=O)O)c4(C(=O)C=3)~    1.920
16136-52-0 N#Cc1cccc2[nH]ccc12~    2.460
16141-40-5 O=C2N(c1cccc(OC)c1)C(=O)CC2~    0.180
16166-22-6 O=C(Nc1ncncc1)C~    0.030
16219-75-3 C(=C1CC2C=CC1C2)C~    3.820
16268-75-0 n1c(nc(nc1N(C)C)N(CC)CC)N(C)C~    3.450
16271-10-6 O=P(OCC)(N)SCC~    0.150
16271-16-2 O=P(OC)(NCCC)SC~    0.650
16310-37-5 O=S(=O)(c1nc2ccccc2(nc1))C~    0.790
16339-04-1 O=NN(CC)C(C)C~    0.900
16339-07-4 O=NN1CCN(C)CC1~    0.200
16339-18-7 N#CCN(N=O)CC#N~    0.040
16347-95-8 n1cnc2ccccc2(c1OC)~    1.970
16350-99-5 O=CN(c1ccccc1)Cc2ccccc2~    2.620
16375-90-9 O=C(Nc1ccc(O)c(c1)C)C~    0.790
16395-58-7 O=C(N)C1N(C(=O)C)CCC1~   -1.340
16409-45-3 O=C(OC1CC(C)CCC1C(C)C)C~    4.000
16479-50-8 O=C1OCC(=C1)C5CCC6(O)(C7CCC4CC(OC3OC(C)C(OC2OC(C)C(O)C(O)C2)C(O)C3)CCC4(C)C7(CCC56(C)))~    2.150
16524-22-4 O=C(O)c2ccccc2(Nc1cccc(c1)C)~    4.880
16533-50-9 Oc1cccc(OCCC)c1~    2.590
16563-41-0 O=C(O)CCOc1cccc2ccccc12~    3.000
16563-45-4 O=C(O)CCCOc1cccc2ccccc12~    3.500
16566-20-4 n1ccnc2c1cccc2(N)~    1.290
16584-02-4 n1nn(c2ccccc12)CCC~    2.130
16590-41-3 O=C1CCC5(O)(C4N(CCC25(c3c(OC12)c(O)ccc3C4))CC6CC6)~    1.920
16637-13-1 O=C(Nc1c(cccc1C(C)C)C(C)C)C~    2.410
16665-89-7 O=C(Nc1c(cccc1CC)CC)C~    1.850
16672-87-0 O=P(O)(O)CCCl~   -0.220
16681-63-3 O=[N+]([O-])c1nc(n(c1)C)Br~    0.330
16697-83-9 O=C(N(C)S(=O)(=O)c1ccc(cc1)C)C~    1.730
16744-99-3 O=C(OC)Nc1ccc(F)cc1~    1.950
16752-77-5 O=C(ON=C(C)SC)NC~    0.600
16758-34-2 OCC1OC(C(O)C(O)C1(O))Sc2ccccc2~   -0.560
16766-29-3 O(c1cc(c(c(c1(OC))Cl)Cl)Cl)C~    4.010
16803-92-2 O=S(=O)(Nc1ccc(cc1)Cl)c2ccc(N)cc2~    2.710
16803-95-5 O=S(=O)(Nc1ccc(cc1)C)c2ccc(N)cc2~    2.110
16803-96-6 O=S(=O)(Nc1ccccc1C)c2ccc(N)cc2~    2.030
16822-82-5 N(c1cc(ccc1Cl)C)=C2NCCN2~    1.830
16822-94-9 N(c1cccc(c1C)Br)=C2NCCN2~    1.940
16822-97-2 N(c1cccc(c1Cl)C)=C2NCCN2~    1.830
16825-54-0 Oc1ccc(c(O)c1)CCCCCCCCCCCCCCC~    8.290
16891-79-5 O=S(=O)(N)c1ccc(cc1)NC~    0.080
16956-42-6 O=C(NN)NCc1ccccc1~   -0.220
16993-45-6 O=S(=O)(N)c1ccc(cc1)S(=O)(=O)N~   -0.960
17004-62-5 O=C(O)CCCCCCC=CCCCCCCC~    6.580
17012-22-5 O=C(OC)c1ccc(cc1)NC(=O)C~    1.790
17013-41-1 O=C1NC(=O)C(C(=O)N1)(CCCC)CCCC~    2.700
17057-68-0 O=C(NC(C(O)C)C1OC(C(O)C(O)C1(O))SC)C2N(CC)CC(CCCC)C2~    1.760
17066-68-1 O=C1OC2C(C1(=C))C(O)CC(C)C3CCC(=O)C23(C)~    0.230
17078-72-7 O=S(=O)(c1ccc(OC)cc1)c2ccc(N)cc2~    1.960
17109-49-8 O=P(OCC)(Sc1ccccc1)Sc2ccccc2~    3.480
17112-82-2 C(=NCc2cccc1ccccc12)=S~    4.420
17174-98-0 N#Cc1ccccc1(C(=O)N)~    0.000
17180-93-7 n1cnc(cc1)Cl~    0.470
17180-94-8 n1cncc(c1)Cl~    0.470
17186-60-6 O=C(NC(C(=O)NC)Cc1ccccc1)C~    0.400
17199-55-2 OC(CC)C(c1ccccc1)(c2ccccc2)CC(N(C)C)C~    4.270
17258-31-0 n1nc(ccc1)N(C)C~    0.290
17258-38-7 n1ncc(cc1)N(C)C~   -0.090
17260-71-8 O=S(=O)(N)c1cccc(c1)Cl~    1.290
17278-57-8 O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])CCl~    0.590
17331-11-2 O=C1N=C(N=CN(C)C)C=CN1C2OC(CO)C(O)C2~   -1.540
17357-04-9 O=C(NCN1CCOCC1)c2ccccc2(O)~    1.270
17371-30-1 O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Br)Br~    1.360
17372-79-1 n1nc2ccccc2(cc1N)~    1.000
17394-14-8 O=C(O)C3c1ccccc1Sc2ccccc23~    2.570
17404-90-9 n1nc(cc2ccccc12)Cl~    1.570
17413-90-0 O=C(O)C(Oc1ccc(cc1)Cl)(C)CC~    2.900
17422-33-2 c1cc2ccc(cc2([nH]1))Cl~    3.250
17433-31-7 O=C(NNC(=O)C)c1ncccc1~   -0.570
17433-94-2 O=C(NN)Nc1ccccc1[N+](=O)[O-]~   -0.470
17455-13-9 O1CCOCCOCCOCCOCCOCC1~   -0.680
17455-25-3 O1c3ccccc3(OCCOCCOCCOCCOc2ccccc2(OCCOCCOCCOCC1))~    1.800
17562-53-7 N#Cc2ccc3NC(=O)CN=C(c1ccccc1)c3(c2)~    1.820
17570-26-2 O=C(O)C=Cc1cccc(OC)c1~    2.370
17575-20-1 O=C1OCC(=C1)C7CCC8(O)(C9CCC6CC(OC5OC(C)C(OC4OC(C)C(OC3OC(C)C(OC2OC(CO)C(O)C(O)C2(O))C(OC(=O)C)C3)C(O)C4)C(O)C5)CCC6(C)C9(CCC78(C)))~    1.230
17575-22-3 O=C1OCC(=C1)C7CCC8(O)(C9CCC6CC(OC5OC(C)C(OC4OC(C)C(OC3OC(C)C(OC2OC(CO)C(O)C(O)C2(O))C(OC(=O)C)C3)C(O)C4)C(O)C5)CCC6(C)C9(CC(O)C78(C)))~    0.070
17576-53-3 O=[N+]([O-])c1cnc2ccccc2(c1)~    1.970
17598-02-6 O(c1ccc2C=CC(Oc2(c1))(C)C)C~    3.350
17606-31-4 O=S(=O)(c1ccccc1)SCC(N(C)C)CSS(=O)(=O)c2ccccc2~    3.360
17629-01-5 n2cnc(c1ccccc1)c3ccccc23~    2.710
17629-04-8 O=C3N=C(c1ccccc1)c2ccccc2N3C~    1.790
17629-09-3 n2c(nc(c1ccccc1)c3ccccc23)OC~    3.500
17659-57-3 O=[N+]([O-])c1cccc(c1)c2nc3c(ncnc3([nH]2))N~    1.930
17671-76-0 O=C(OCCC)NC~    0.950
17696-95-6 O=C(NN)NC~   -2.200
17700-54-8 O=C(Nc1c(cccc1Cl)Cl)C~    1.320
17711-74-9 O=[N+]([O-])c1cccc(c1)N2C(=NC(=NC2(C)C)N)N~    0.060
17720-22-8 n1cnc2[nH]c(nc2(c1N))c3ccccc3~    2.310
17721-95-8 O=NN1C(C)CCCC1C~    1.360
17751-47-2 n1cccc(c1)CN2CCOCC2~    0.040
17757-70-9 O=C(Nc1ccccc1)C2=C(OCCS2(=O))C~    0.640
17795-32-3 O=P(Oc1ccc(OC)cc1)(OC)NC~    1.060
17804-35-2 O=C(OC)Nc2nc1ccccc1n2(C(=O)NCCCC)~    2.120
17812-07-6 O=C(O)C=CC(=O)c1ccccc1~    1.530
17849-38-6 OCc1ccccc1Cl~    1.770
17870-85-8 O=C(O)c2ccc(cc2(Nc1cccc(c1)Cl))Cl~    5.000
17883-59-9 O=C(NN)C(C)(C)C~   -0.350
17945-79-8 OCCCCc1ncccc1~    0.860
18031-40-8 O=CC1=CCC(C(=C)C)CC1~    3.130
18035-92-2 O=C(OC2N=C(c1ccccc1)c3cc(ccc3(NC2(=O)))Cl)c4cc(OC)c(OC)c(OC)c4~    3.750
18046-21-4 O=C(O)Cc2c(nc(c1ccccc1)s2)c3ccc(cc3)Cl~    5.190
18048-95-8 O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(C)C~    0.790
18063-03-1 O=C(N)c1c(F)cccc1(F)~    0.250
18109-55-2 O=C(N(c1c(cccc1C)C)CCCN(CC)CC)Cc2ccccc2~    4.940
18143-31-2 CCC[Si](C)C~    3.220
18181-70-9 O(c1cc(c(cc1Cl)I)Cl)P(OC)(OC)=S~    5.510
18259-05-7 c1ccc(cc1)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl~    6.750
18323-44-9 O=C(NC(C1OC(C(O)C(O)C1(O))SC)C(C)Cl)C2N(C)CC(CCC)C2~    2.160
18356-28-0 O=C2N1C(=O)CCC1CC2~   -1.110
18362-64-6 O=C(CC(=O)C(C)C)C(C)C~    2.220
18377-52-1 O=C1N(C(=O)CC1)c2ccccc2[N+](=O)[O-]~    0.360
18381-45-8 N#CCCC(OCC)OCC~    0.750
18404-43-8 O=C1OCC(=C1)C4CCC5(O)(C6CCC3CC(OC2OC(C)C(O)C(O)C2)CCC3(C)C6(CCC45(C)))~    2.510
18438-38-5 n1ccccc1SC~    1.710
18453-07-1 n1ccsc1CCN~    0.160
18467-77-1 O=C(O)C23(OC1COC(OC1C3(OC(O2)(C)C))(C)C)~    1.350
18489-25-3 n1n[nH]c(n1)Cc2ccccc2~    1.360
18495-00-6 O=C(N1CCOCC1)COc2ccccc2~    0.740
18542-37-5 O=C2OCC3(C=C)(CC(O)C1C(=C)C(=O)OC1C3(C2(=C)))~    0.310
18584-93-5 O=C(OC)Nc1cccc(c1)C(F)(F)F~    2.740
18588-57-3 n1c(nc(c(c1N)c2ccc(c(c2)Cl)Cl)CC)N~    3.030
18597-53-0 O=C2C=C(NN2(c1nc(cc(n1)C)C))C~    0.720
18597-55-2 O=C1C=C(NN1c2nc(nc(OC)c2)C)C~    0.720
18648-91-4 c1ccc(cc1)C2=C(C)SSC2=S~    3.170
18659-24-0 O=C(Oc1ccc(cc1C)C(C)C)NC~    3.110
18659-33-1 O=C(Oc1cc(cc(c1)C(C)(C)C)C)NC~    3.350
18690-91-0 O=C2c4ccccc4(C(=O)C(=C2(Nc1ccccc1))S(=O)(=O)c3ccccc3)~    3.380
18691-97-9 O=C(NC)N(c2nc1ccccc1s2)C~    2.640
18694-40-1 n1c(OC)cc(nc1n2nc(cc2(OC))C)C~    1.260
18694-42-3 n1cnc(cc1OC)n2nc(cc2(OC))C~    1.530
18694-43-4 n1c(nc(cc1C)C)n2nc(cc2(OC))C~    0.730
18697-50-2 O=C1C=C(N(N1)c2nc(cc(n2)C)C)C~    1.290
18697-64-8 O=C1C=C(N(N1)c2ncncc2)C~    1.400
18705-01-6 O=C(Nc1ccccc1)COc2ccccc2~    2.730
18705-45-8 C(=Nc1ccc(cc1)c2ccc(N=C=S)cc2)=S~    5.500
18708-70-8 O=[N+]([O-])c1c(cc(cc1Cl)Cl)Cl~    3.690
18774-47-5 N#Cc1c(N)sc2ccccc12~    2.170
18818-44-5 O=S2(=O)(NC(=Nc1ccccc12)c3ccccc3)~    1.780
18826-96-5 O=C1C(=NN=C(N1(N))SC)C~   -0.160
18826-97-6 O=C1C(=NN=C(OC)N1(N))C(C)C~   -0.060
18832-83-2 OC(C)C[Hg]Br~    0.020
18839-88-8 O=C(N)CCC(NC(=O)C)C(=O)N~   -2.050
18854-01-8 n1oc(cc1OP(OCC)(OCC)=S)c2ccccc2~    3.730
18859-21-7 O=C(N(c1ccccc1)C)COc2ccccc2~    2.250
18881-04-4 OC1C=C(C)C2CC1C2(C)(C)~    3.160
18883-05-1 c1ccc2c(c1)C3CCC2C(NC)C3~    2.640
18883-66-4 O=NN(C(=O)NC1C(O)OC(CO)C(O)C1(O))C~   -1.070
18925-69-4 O=C(N(C)C)Cc1ccccc1~    1.480
18936-17-9 N#CC(C)CC~    1.050
18960-16-2 O=C(NC(C)C)c1cnccc1~    0.590
18979-53-8 Oc1ccc(OCCCCC)cc1~    3.500
18979-73-2 Oc1cccc(OCCCCC)c1~    3.630
18997-88-1 OCC1OC(OCC)C(O)C(O)C1(O)~   -2.280
19044-88-3 O=[N+]([O-])c1cc(cc(c1N(CCC)CCC)[N+](=O)[O-])S(=O)(=O)N~    3.730
19055-70-0 O=C1c3ccccc3(C(=O)C1c2cccc(c2)C(F)(F)F)~    3.780
19064-18-7 Fc1cccc(F)c1CO~    1.120
19064-65-4 n1nc(OC)ccc1~    0.080
19064-69-8 n1nc(N)c2ccccc2(c1)~    0.820
19111-80-9 [O-][N+]#Cc1c(cc(cc1C)Br)C~    3.630
19130-96-2 OCC1NCC(O)C(O)C1(O)~   -1.800
19183-14-3 O=[N+]([O-])c1nc[nH]c1[N+](=O)[O-]~    0.650
19183-15-4 O=[N+]([O-])c1ncn(c1[N+](=O)[O-])C~    0.410
19184-65-7 OCC(CO)(CO)CBr~   -0.700
19202-92-7 O=C1OC2CC(C)C4C=CC(=O)C4(C)(C3OC(O)(C)C1(C)C23)~    0.300
19213-65-1 O=C1NN=C(C(=O)N1)CC~    0.220
19216-39-8 O=C(Nc1c(cccc1C)C)C(N(C)C)C~    1.530
19218-88-3 O=C(O)c2ccc(cc2(Nc1ccccc1))Cl~    4.250
19230-45-6 O=C(Nc1cccc(c1)I)C~    2.640
19271-90-0 O=C(O)COc1ccccc1C(C)(C)C~    3.330
19340-77-3 O=C(NCc1ccccc1)CO~    0.550
19343-24-9 OC(COCc1ccccc1)CNC(C)C~    1.620
19353-97-0 O=C(NN)c1ccnc(OC)c1~   -0.100
19365-01-6 O=C1C(O)=CC=CN1C~   -0.400
19387-91-8 O=[N+]([O-])c1cnc(n1CCS(=O)(=O)CC)C~   -0.350
19387-93-0 O=[N+]([O-])c1cnc(n1CCS(=O)(=O)CCC)C~    0.230
19387-94-1 O=[N+]([O-])c1cnc(n1CCS(=O)(=O)C)C~   -0.820
19388-12-6 n1c(nc(nc1N)c2ccc(cc2)C)N~    1.920
19390-40-0 O=[N+]([O-])c1cnc(n1CCS(=O)(=O)C(C)C)C~    0.130
19398-61-9 c1cc(c(cc1Cl)C)Cl~    3.970
19411-71-3 O=C(C(=Cc1ccccc1C)C(=O)C)C~    1.980
19411-75-7 O=C(C(=Cc1ccc(cc1)Cl)C(=O)C)C~    2.320
19411-83-7 O=C(N)C(=Cc1ccccc1)C(=O)N~   -0.130
19432-68-9 O=C(OC)Cc1cccs1~    1.510
19438-10-9 O=C(OC)c1cccc(O)c1~    1.890
19477-31-7 O=S2(=O)(NC=Nc1cc(ccc12)Cl)~    1.010
19485-85-9 c1ccc2c(c1)CCC(NC)C2~    2.380
19495-05-7 C(=NCc1ccc2ccccc2(c1))=S~    4.420
19541-20-9 O=C(OCC)n2c(nc1ccccc12)c3ncsc3~    2.510
19590-04-6 O=P(Oc1ccc(cc1)C(C)(C)C)(OC)NC~    2.710
19608-64-1 O=P(Oc1ccccc1Cl)(OC)NC~    1.610
19666-30-9 O=C1OC(=NN1c2cc(OC(C)C)c(cc2Cl)Cl)C(C)(C)C~    4.800
19701-84-9 O=C(NC(C(=O)NC)C(C)C)C~   -0.350
19723-86-5 O=C(OC)C(C(=O)OC)=C1SCCS1~    1.510
19730-12-2 n1cccc(c1)CNC(C)C~    0.820
19730-13-3 n1cccc(c1)CNCCC~    0.900
19730-15-5 n1cccc(c1)CCNCC~    0.540
19768-02-6 n1onc(c1c2ccccc2)c3ccccc3~    3.830
19776-98-8 n1c(oc2ccccc12)NC~    1.820
19789-60-7 O=C(N)C(NC(=O)C)CCCCN~   -2.820
19797-08-1 O=C1N(CC)CCCCC1~    0.650
19829-29-9 C1=CC(C=CN1)=S~    0.200
19837-85-5 O=S(=O)(Nc1ccccc1Cl)c2ccc(N)cc2~    2.000
19847-12-2 N#Cc1nccnc1~   -0.010
19852-25-6 O=C1C=C(Oc2cccc(O)c12)c3ccc(O)c(O)c3~    3.310
19860-27-6 O=C2NC(c1ccccc1)C(=O)C2~    0.480
19865-55-5 [O-][N+](=Cc1ccc(cc1)C)c2ccccc2~    2.410
19918-36-6 FC(F)(F)c1nc2cnccc2([nH]1)~    0.940
19934-51-1 O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Cl)(Cl)Cl~    1.970
19937-59-8 O=C(Nc1ccc(OC)c(c1)Cl)N(C)C~    1.640
19961-27-4 N(CC)C(C)C~    0.930
19982-08-2 NC13(CC2CC(C)(C1)CC(C)(C2)C3)~    3.280
20020-02-4 c1ccc2c(c1)c(c(c(c2Cl)Cl)Cl)Cl~    5.750
20056-71-7 Oc1ccccc1CCCCCCCCCCC~    7.170
20056-72-8 Oc1cccc(c1)CCCCCCCCCCC~    6.980
20056-73-9 Oc1ccc(cc1)CCCCCCCCCCC~    7.180
20057-31-2 C=C(c1ccccc1)CC(Cl)(Cl)Cl~    4.560
20173-04-0 n1cccc(c1)CNC~    0.390
20173-12-0 n1cccc(c1)CNCCCC~    1.340
20173-18-6 n1cccc(c1)CN(C(C)C)C(C)C~    2.270
20173-26-6 n1cccc(c1)CCN(C)C~    0.820
20173-28-8 n1cccc(c1)CCN2CCCC2~    1.340
20173-34-6 n1cccc(c1)CCN(CC)CC~    1.230
20193-21-9 N(CCC)CCCC~    2.120
20225-24-5 O=C(O)C(CC)CCC~    2.230
20240-99-7 N(=NN(C)C)c1ccccc1(OC)~    2.340
20241-00-3 N(=NN(C)C)c1ccccc1Cl~    3.030
20241-03-6 N(=NN(C)C)c1cccc(c1)C~    2.850
20241-05-8 N(=NN(C)C)c1cccc(c1)Cl~    3.440
20241-06-9 O=[N+]([O-])c1cccc(N=NN(C)C)c1~    2.750
20241-07-0 O=C(O)c1cccc(N=NN(C)C)c1~    2.030
20252-42-0 O=CC=CC#CC#Cc1ccccc1~    3.090
20252-43-1 O=C(OCC=CC#CC#Cc1ccccc1)C~    3.880
20274-94-6 OCC2OC(Oc1ccc(cc1)C)C(O)C(O)C2(O)~   -0.160
20282-30-8 c1ccc(cc1)c2cccc(c2)C(C)C~    5.330
20292-08-4 O=C(OCC(CC)CCCC)CCCCCCCCCCC~    8.030
20300-02-1 NC(c1cccs1)=S~    1.340
20308-67-2 O=C(c1ccccc1(OCC))N2CCCCC2~    2.600
20330-45-4 O=C(Nc1ccc(cc1)C(C)(C)C)C~    3.050
20330-99-8 O=C(Nc1ccc(cc1)CCC)C~    2.750
20383-28-2 O=C(c1ccccc1)N(C(C)C)C(C)C~    2.500
20404-02-8 O=[N+]([O-])c1cc(c(O)c(c1Cl)Cl)Cl~    3.930
20417-83-8 O=C(ON=C(C)C([N+](=O)[O-])(C)C)NC~    0.660
20451-62-1 O=C(OCC)C(=Cc1ccc(OC)c(OC)c1)C(=O)C~    2.020
20501-52-4 O=C1OC2C(C1(=C))C(OC(=O)C(=CC)C)CC(O)(CCl)C3C(OC(=O)C)C=C(C)C23(O)~    1.420
20587-61-5 O=C(OCCOCCO)c1ccccc1~    1.160
20605-19-0 O=C(NN)NCCCC~   -0.600
20651-71-2 O=C(O)c1ccc(cc1)CCCC~    3.970
20668-13-7 O=C(OC)Nc1ccccc1Cl~    2.160
20682-52-4 O=CN(c1c(cccc1C)C)CCN(CC)CC~    3.210
20733-11-3 n1ncc(OC)cc1~   -0.310
20744-39-2 n1ncc(N)cc1~   -0.530
20766-31-8 O=C(C=Cc1cccc(OC)c1)C~    2.270
20766-36-3 O=C(C=Cc1cccc(c1)Cl)C~    2.810
20766-37-4 O=C(C=Cc1ccccc1Cl)C~    2.850
20772-21-8 OCC2OC(Oc1cc(cc(c1)C)C)C(O)C(O)C2(O)~    0.260
20772-23-0 OCC2OC(Oc1cc(ccc1C(C)C)C)C(O)C(O)C2(O)~    1.070
20772-25-2 FC(F)(F)c2cccc(OC1OC(CO)C(O)C(O)C1(O))c2~    0.490
20782-57-4 O=C(Nc1ccc(OC)c(c1)Cl)NC~    1.760
20818-25-1 OCC2OC(Oc1ccc(N)cc1)C(O)C(O)C2(O)~   -2.670
20829-53-2 O=C1NC(C(=O)NC1Cc2ccc(O)cc2)Cc4c[nH]c3ccccc34~    1.050
20830-75-5 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(O)C67(C)))~    1.260
20830-81-3 O=C1c5cccc(OC)c5(C(=O)c2c(O)c4c(c(O)c12)CC(O)(C(=O)C)CC4(OC3OC(C)C(O)C(N)C3))~    1.830
20838-34-0 OCC2OC(Oc1cccc(c1)CC)C(O)C(O)C2(O)~    0.310
20838-36-2 OCC2OC(Oc1cccc(c1)C(C)(C)C)C(O)C(O)C2(O)~    1.010
20838-44-2 O=[N+]([O-])c2cccc(OC1OC(CO)C(O)C(O)C1(O))c2~   -0.510
20863-54-1 o1ccc(c1CN(C)C)C~    1.630
20893-30-5 N#CCc1cccs1~    1.260
20917-49-1 O=NN1CCCCCCC1~    1.480
20917-50-4 O=NN1CCCCCCCC1~    2.040
20980-22-7 n1cccnc1N2CCNCC2~    0.490
21003-78-1 O=C(O)c2ccccc2(Nc1cccc(O)c1)~    3.490
21085-18-7 O=C1C(=NN=C(N1(N))SC)CCC(C)C~    1.850
21085-19-8 O=C1C(=NN=C(N1(N))SC)C2CCCCC2~    2.140
21085-20-1 O=C1C(=NN=C(N1(N))SC)CCCCCC~    2.680
21087-57-0 O=C1C(=NN=C(NC)N1(N))C(C)C~    0.300
21087-59-2 O=C1C(=NN=C(N1(N))SC)CC~    0.460
21087-60-5 O=C1C(=NN=C(N1(N))SC)CCC~    0.930
21087-61-6 O=C1C(=NN=C(N1(N))SC)C(C)C~    1.010
21087-62-7 O=C1C(=NN=C(N1(N))SC)CC(C)C~    1.390
21087-63-8 O=C1C(=NN=C(N1(N))SC)c2ccccc2~    1.660
21087-64-9 O=C1C(=NN=C(N1(N))SC)C(C)(C)C~    1.700
21117-51-1 O=[N+]([O-])OCCn1c(ncc1[N+](=O)[O-])C~    0.810
21117-52-2 O=[N+]([O-])c1nc(n(c1Br)C)C~    0.440
21149-88-2 O=C1NC(=O)C(C(=O)N1)(CC=C(C)C)CC~    1.730
21154-18-7 n1c2ccccc2(ccc1N(C)C)~    2.810
21156-62-7 O=C(OC)C(NC(=O)C)Cc1ccccc1~    0.920
21236-52-2 O=C(Nc1c(cccc1C)C)CCN(CC)CC~    2.210
21236-53-3 O=C(Nc1c(cccc1C)C)CCCN(CC)CC~    2.060
21236-54-4 O=C(Nc1c(cccc1C)C)CN(C)C~    0.940
21238-30-2 O=CCC3CC(C(=O)C=CC=CCC(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~    3.520
21244-66-6 O=C(N)c1[nH]cnc1(N=NN(CCO)CCO)~   -1.090
21253-58-7 Oc1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N~    0.370
21270-93-9 O=C(NC1CC(C)(C)N(=O)C(C)(C)C1)CCC~    1.350
21306-55-8 N=C(N)NC(=N)NCCCCC~   -1.020
21327-86-6 O=C(O)c1c(cccc1Cl)C~    2.310
21352-09-0 O=C(Nc1c(cccc1Cl)C)C~    1.220
21352-21-6 O=C(Nc1nccnc1)C~   -0.030
21392-61-0 c1ccc(cc1)[Hg]C~    1.860
21402-86-8 O=C(NCC)c1occc1~    0.610
21413-25-2 O=C2NC(=O)C(c1ccccc1)(N2S(=O)(=O)c3ccccc3)CC~    2.440
21413-28-5 O=C3NC(=O)C(c1ccccc1)(c2ccccc2)N3S(=O)(=O)c4ccccc4~    4.040
21413-53-6 O=C3NC(=O)C(c1ccccc1)(c2ccccc2)N3S(=O)(=O)c4ccc(cc4)[N+](=O)[O-]~    4.040
21431-58-3 O=[N+]([O-])c1c(nc(n1C)C)Br~    0.870
21561-99-9 O=NN(C(=O)Nc1ccccc1)C~    1.720
21564-17-0 N#CSCSc2nc1ccccc1s2~    3.300
21577-72-0 N1C(CCCCCCC1)=S~    1.440
21593-23-7 O=C(O)C3=C(COC(=O)C)CSC2N3(C(=O)C2(NC(=O)CSc1ccncc1))~   -1.150
21704-31-4 Oc1cccc(c1(O))CCCCCCCCCCC~    6.300
21724-58-3 O=C(NC(=N)N)Nc1ccc(c(c1)Cl)Cl~    2.390
21725-46-2 N#CC(Nc1nc(nc(n1)Cl)NCC)(C)C~    2.220
21738-42-1 O=[N+]([O-])c1cc2NC(CNC(C)C)CCc2(cc1CO)~    2.240
21787-89-3 O=[N+]([O-])c1nccn1CC(O)COCC=C~    0.400
21787-91-7 O=[N+]([O-])c1nccn1CC(O)COCC(F)(F)F~    0.520
21787-95-1 O=C(COC)Cn1ccnc1[N+](=O)[O-]~   -0.260
21788-11-4 O=[N+]([O-])c1nccn1CC(O)COc2ccccc2~    1.430
21840-66-4 O(c1ccc(c(c1)Cl)SC)P(OCC)(OCC)=S~    5.060
21864-67-5 O=C(N)c1c(OC)cccc1(OC)~   -0.220
21899-50-3 O=C(OC2CC1=CC(OC1(=O))CC4(OC4(C3OC(=O)C(=C)C23))(C))C=C(C)C~    1.050
21905-82-8 O=[N+]([O-])c1nnc2ccccc2(c1)~    0.730
21919-05-1 O=C(N)c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])N2CC2~   -0.020
21988-05-6 O=[N+]([O-])c1ccc(cc1C(F)(F)F)S(=O)(=O)N~    1.730
21998-12-9 O=C(Oc1ccc(cc1)C(=O)OC)NC~    1.500
22004-32-6 O(c1cc(c(OC)cc1CC)CC(N)C)C~    2.810
22010-25-9 O=C(Nc1ccc(c(c1)Cl)Cl)CN2CCCCC2~    3.650
22020-28-6 O=C(OCCCC)C=Cc1ccc(O)c(O)c1~    3.530
22026-39-7 O=C(NN)c1ccc2OCOc2(c1)~    1.160
22037-28-1 o1ccc(c1)Br~    2.180
22059-21-8 O=C(O)C1(N)(CC1)~   -2.780
22071-15-4 O=C(O)C(c1cccc(c1)C(=O)c2ccccc2)C~    3.120
22138-39-2 C1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl~    3.450
22175-22-0 O=C(Nc1ccc(c(c1)Cl)C)NC~    2.610
22181-94-8 O=C(OCC)CNC(=O)CCCCSc2ncnc1[nH]cnc12~    0.910
22224-92-6 O=P(Oc1ccc(c(c1)C)SC)(OCC)NC(C)C~    3.230
22278-77-9 O=C1C(=NN=C(N1(N))S)C(C)C~    1.220
22305-44-8 O=C1c2ccccc2(N=NN1C)~    0.840
22316-47-8 O=C3N(c1ccccc1)c2cc(ccc2N(C(=O)C3)C)Cl~    2.120
22342-21-8 O=C(c1ccccc1Cl)N2CCCCC2~    2.800
22374-89-6 NC(C)CCc1ccccc1~    2.120
22399-00-4 O=C(OCC)C(=Cc1ccc(cc1)[N+](=O)[O-])C(=O)OCC~    3.030
22399-01-5 O=C(OCC)C(=Cc1ccc(cc1)Br)C(=O)OCC~    4.020
22409-37-6 O=C(N)CCOc1ccccc1~    0.800
22494-42-4 O=C(O)c1cc(ccc1(O))c2ccc(F)cc2(F)~    4.440
22526-29-0 O=C(c1ccncc1)c2ccccc2(O)~    2.130
22627-00-5 N=C(c1ccccc1)c2ccccc2C~    3.210
22627-01-6 N=C(c1ccccc1C)c2ccccc2C~    3.310
22627-02-7 N=C(c1ccccc1)c2c(cccc2C)C~    3.530
22664-55-7 O=C(Oc1c(cc(OCC(O)CNC(C)C)c(c1C)C)C)C~    2.660
22680-31-5 O=S2(=O)(NC(=Nc1cccc(c12)Cl)C)~    0.620
22707-38-6 O=C(N1C(=O)CCC1)CCC~    1.180
22715-68-0 O=C(NC(C(=O)NC)C)C~   -1.210
22726-00-7 O=C(N)c1cccc(c1)Br~    1.650
22731-28-8 O=C(c1ccccc1)c2ccc(cc2)NS(=O)(=O)C(F)(F)F~    4.280
22754-37-6 O=C(OCCCC)C1=CC(=O)NC(=O)N1~    1.060
22781-23-3 O=C(Oc1cccc2OC(Oc12)(C)C)NC~    1.700
22808-73-7 O=C(OC)c1ccc(cc1)S(=O)(=O)N~    0.640
22813-31-6 O=C(OC)Cn1ccnc1[N+](=O)[O-]~   -0.090
22821-80-3 O=C(Nc1ccc(cc1)S(=O)(=O)C)C~    0.580
22900-79-4 O=C(Nc1cc(c(O)c(c1)C)C)C~    1.110
22903-73-7 O=C(N)Cn1ccnc1[N+](=O)[O-]~   -1.220
22928-63-8 N1C(CCCCCC1)=S~    1.000
22936-75-0 n1c(nc(nc1NC(C)C(C)C)SC)NCC~    3.900
22936-85-2 n1c(nc(nc1NC2CC2)Cl)NCC~    2.170
22936-86-3 n1c(nc(nc1NC2CC2)Cl)NC(C)C~    3.060
22994-85-0 O=C(NCc1ccccc1)Cn2ccnc2[N+](=O)[O-]~    0.910
23031-25-6 Oc1cc(O)cc(c1)C(O)CNC(C)(C)C~    0.900
23031-36-9 O=C(OC1C(=C(C(=O)C1)CC#C)C)C2C(C=C(C)C)C2(C)(C)~    4.490
23046-86-8 O=CNC(=O)C1CCC1~   -0.700
23046-87-9 O=C(NC(=O)C1CCC1)CC~   -0.040
23046-88-0 O=C(NC(=O)C1CCC1)C(C)C~    0.260
23068-36-2 O=C(Nc1cccc(c1Cl)Cl)C~    2.090
23088-24-6 N#Cc1ccc2nccnc2(c1)~    1.010
23092-17-3 O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2))Cl)CC(F)(F)F~    3.970
23103-98-2 O=C(Oc1nc(nc(c1C)C)N(C)C)N(C)C~    1.700
23120-99-2 C[Sn]C~   -3.100
23138-98-9 O=C(Nc1cccc(OC)c1)NC~    1.260
23141-81-3 O=[N+]([O-])c1cc2N=CNS(=O)(=O)c2(cc1S(=O)(=O)N)~    0.080
23141-82-4 O=S(=O)(N)c1ccc2NCNS(=O)(=O)c2(c1)~   -0.520
23141-83-5 O=S(=O)(N)c1cc2c(cc1Br)NCNS2(=O)(=O)~    0.080
23141-84-6 O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))C(C)(C)C~    0.360
23141-86-8 O=S(=O)(N)c1ccc2NC(NS(=O)(=O)c2(c1))CC3CCCC3~    1.240
23141-87-9 O=S(=O)(N)c1ccc2NC(NS(=O)(=O)c2(c1))C(Cl)Cl~    0.510
23141-88-0 O=[N+]([O-])c1cc2NCNS(=O)(=O)c2(cc1S(=O)(=O)N)~    0.200
23189-28-8 O=C(O)Cc2ccccc2(Nc1c(cccc1Cl)C)~    4.370
23193-98-8 O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2))SC)C~    2.950
23214-92-8 O=C1c5cccc(OC)c5(C(=O)c2c(O)c4c(c(O)c12)CC(O)(C(=O)CO)CC4(OC3OC(C)C(O)C(N)C3))~    1.270
23222-62-0 O1CCN(CC1c2ccccc2)C(C)C~    2.300
23246-36-8 C(=Nc1ccc(cc1)Nc2ccccc2)=S~    4.940
23251-68-5 O=C1OC(=CC#CC=CC)C=C1~    2.090
23261-20-3 OC(C(O)C1OC1)C2OC2~   -1.290
23264-57-5 O=NN1C(C)C(N(N=O)C(C)C1C)C~    0.910
23361-37-7 O=C(N)C(NC(=O)C)CCSC~   -0.600
23361-38-8 O=C(NC(C(=O)N)CO)C~   -1.870
23374-49-4 O=C(OCCCC)CNC(=O)CCCCSc2ncnc1[nH]cnc12~    1.390
23375-06-6 O=S(=O)(Nc1ccc(cc1)SC)C(F)(F)F~    3.740
23375-08-8 O=S(=O)(Nc1cccc(c1)S(=O)(=O)C)C(F)(F)F~    1.850
23375-10-2 O=S(=O)(Nc1ccc(cc1)S(=O)(=O)C)C(F)(F)F~    1.990
23375-11-3 O=C(c1cccc(c1)NS(=O)(=O)C(F)(F)F)C~    2.780
23375-12-4 O=S(=O)(Nc1cccc(O)c1)C(F)(F)F~    2.510
23383-94-0 O=C(c1ccc(cc1)NS(=O)(=O)C(F)(F)F)C~    2.830
23383-96-2 O=S(=O)(Nc1ccc(cc1Cl)Cl)C(F)(F)F~    3.880
23384-00-1 O=S(=O)(Nc1ccc(F)cc1)C(F)(F)F~    3.250
23384-01-2 O=S(=O)(Nc1cccc(F)c1)C(F)(F)F~    3.420
23384-03-4 O=S(=O)(Nc1cccc(c1)Cl)C(F)(F)F~    4.000
23384-04-5 O=S(=O)(Nc1ccc(cc1)Cl)C(F)(F)F~    3.960
23384-08-9 O=S(=O)(Nc1cccc(c1)Br)C(F)(F)F~    3.820
23384-10-3 O=S(=O)(Nc1ccc(cc1)I)C(F)(F)F~    4.390
23384-11-4 O=S(=O)(Nc1cccc(c1)C(F)(F)F)C(F)(F)F~    4.500
23384-12-5 O=S(=O)(Nc1ccc(cc1)C(F)(F)F)C(F)(F)F~    4.470
23384-22-7 O=S(=O)(Nc1ccc(F)cc1(F))C(F)(F)F~    3.060
23384-33-0 O=S(=O)(Nc1cccc(OC)c1)C(F)(F)F~    3.130
23384-34-1 O=S(=O)(Nc1ccc(OC)cc1)C(F)(F)F~    3.000
23409-17-8 O=C(Oc1ccccc1(OCC))NC~    1.240
23434-86-8 O=C(C=Cc1ccc2OCOc2(c1))N3CCCCC3~    2.820
23441-75-0 O=C2N=C(c1ccccc1)c3ccccc3(N2)~    1.910
23443-12-1 O=C1C=CN=C2C(=CC=CN12)C~    0.790
23443-20-1 O=C1C=CN=C2C=CC(=CN12)C~    0.610
23456-95-3 N#Cc1ccc(N=NN(C)C)cc1~    2.390
23478-26-4 O=C(Nc1cccc(O)c1)Cc2ccccc2~    2.220
23484-11-9 O=C(NC2c1ccccc1N(=O)CC2)C~   -0.110
23505-41-1 n1c(OP(OCC)(OCC)=S)cc(nc1N(CC)CC)C~    4.850
23549-54-4 O=C(N)NC(=O)C(C)C~    0.040
23564-05-8 O=C(OC)NC(Nc1ccccc1(NC(NC(=O)OC)=S))=S~    1.400
23571-34-8 O=[N+]([O-])c1ncc(n1C)C(C)C~    1.090
23571-38-2 O=[N+]([O-])c1ncc(n1CCO)C~    0.180
23597-82-2 O=C(OCCCCCC)c1cnccc1~    3.510
23702-98-9 OC(c1ccccc1)C2NCCCC2~    1.580
23742-02-1 O=C(N)C(c1ccc2OCOc2(c1))(CC)CC~    1.590
23757-42-8 FC(F)(F)C1(N=C(N)C(N1)(C(F)(F)F)C(F)(F)F)C(F)(F)F~    3.350
23795-32-6 O=C(C=Cc1ccc2OCOc2(c1))N(CC(C)C)CC(C)C~    4.370
23815-28-3 O=S(=O)(N)c1ccc(c(c1)Cl)Cl~    1.440
23885-56-5 O=C(NC(CO)C(O)c1ccc(cc1)c2ccccc2)C(Cl)Cl~    2.860
23885-59-8 O=C(NC(CO)C(O)c1ccc(cc1)Br)C(Cl)Cl~    1.870
23885-61-2 N#Cc1ccc(cc1)C(O)C(NC(=O)C(Cl)Cl)CO~    0.780
23885-69-0 O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])CCC~    0.870
23885-71-4 N#CCC(=O)NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-]~   -0.220
23893-07-4 O=C(OC3C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1(O))C(C)C(OC2OC(C)C(O)C(OC)(C)C2)C(C(=O)OC(CC)C3(O)(C))C)C)C~    2.850
23898-86-4 O=C1C=C(N(N1c2nc(nc(c2)C)C)C)C~    0.240
23898-90-0 O=C1C=C(NN1c2nc(nc(c2)C)OC)C~    1.030
23898-92-2 O=C2C=C(N(c1nc(cc(n1)C)C)N2C)C~    0.510
23903-40-4 n1cnc(cc1)n2nc(OC)cc2C~    2.210
23903-41-5 n1c(nc(cc1n2nc(OC)cc2C)C)C~    2.600
23903-42-6 n1c(OC)cc(nc1C)n2nc(cc2(OC))C~    1.540
23905-77-3 n1c(nc(cc1C)C)n2nc(OC)cc2C~    1.820
23905-85-3 O=C1C=C(N(N1)c2nc(OC)cc(n2)OC)C~    1.160
23905-98-8 n1c(nc(cc1OC)n2nc(cc2(OC))C)OC~    1.860
23917-23-9 O=C1C=C(NN1c2ncnc(OC)c2)C~    0.990
23972-41-0 O1CCNCC1c2ccccc2~    1.110
24017-47-8 n1cn(nc1OP(OCC)(OCC)=S)c2ccccc2~    3.340
24096-53-5 O=C2N(c1cc(cc(c1)Cl)Cl)C(=O)CC2~    1.400
24106-05-6 O=C(Nc1ccc(cc1C)Br)C~    2.030
24108-33-6 n1nc(ncc1)C~   -1.310
24141-52-4 O=C(OC)C1C(C=C(C)C)C1(C)(C)~    3.760
24279-91-2 O=C(OCC(OC)C=1C(=O)C(=C(C(=O)C=1N2CC2)C)N3CC3)N~   -0.150
24292-54-4 O=C2c3c(O)cccc3(OC(c1ccc(O)c(O)c1)C2)~    2.810
24305-27-9 O=C(N)C3N(C(=O)C(NC(=O)C1NC(=O)CC1)Cc2nc[nH]c2)CCC3~   -2.460
24310-18-7 O=C(NN)CC(C)C~   -0.310
24324-17-2 OCC2c3ccccc3(c1ccccc12)~    2.890
24331-83-7 O=C(OCC)C(=Cc1ccc(O)c(OC)c1)C(=O)OCC~    2.890
24353-61-5 O=C(OC(C)C)c1ccccc1(OP(OC)(N)=S)~    2.700
24380-92-5 n1cccc(c1)C2N(C)CCCC2~    0.960
24385-10-2 O=C1c4cccc(OC)c4(C(=O)c2c(O)c3c(c(O)c12)CC(O)(C(=O)CO)CC3(O))~    2.740
24397-14-6 O=C(O)c1ccc(N)cc1(OCCCCCC)~    3.220
24423-11-8 c1ccc3c(c1)ccc2cc(ccc23)Cl~    5.160
24454-46-4 O=C(N)c1ccc(cc1)S(=O)(=O)c2ccc(N)cc2~    0.900
24535-70-4 O=C(NCC)NS(=O)(=O)c1ccc(cc1)Cl~    1.790
24544-04-5 Nc1c(cccc1C(C)C)C(C)C~    3.180
24550-11-6 O=C(Nc2ccc(Oc1ncccc1)cc2)C~    1.570
24568-11-4 O=C(Nc1ccc(cc1)Br)C(F)(F)F~    3.340
24570-14-7 O=C(NC)c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])N2CC2~    0.440
24570-16-9 O=C(NC1CC1)c2cc(c(cc2[N+](=O)[O-])[N+](=O)[O-])N3CC3~    0.740
24632-47-1 O=C(NN=Cc1oc(cc1)[N+](=O)[O-])CN2CCN(C)CC2~   -0.100
24759-34-0 O=C3NC(=O)C(c1ccccc1)(c2ccccc2)N3S(=O)(=O)c4ccc(N)cc4~    3.270
24759-38-4 O=C3NC(=O)C(c1ccccc1)(c2ccccc2)N3S(=O)(=O)c4ccc(cc4)Cl~    4.480
24759-41-9 O=C3NC(=O)C(c1ccccc1)(c2ccccc2)N3S(=O)(=O)c4ccccc4C~    4.000
24786-13-8 n1onc(c1c2ccccc2)Cl~    3.200
24798-19-4 n1cc(c(nc1N)N)Cc2cc(OC)c(OC)c(c2)C~    1.620
24803-16-5 n1c(nc(nc1C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)NCc2ccccc2~    4.930
24803-52-9 n1c(nc(nc1C)C(Cl)(Cl)Cl)NCCC~    3.290
24809-26-5 O=C(N)C(NC(=O)C(NC(=O)C)Cc1ccccc1)Cc2ccccc2~    1.190
24830-33-9 n1c(nc(nc1C)C(Cl)(Cl)Cl)NC~    2.430
24847-46-9 O=C(NC)C1N(C(=O)C)CCC1~   -1.190
24847-58-3 O=C(OCC(CC)CC)N~    1.980
24849-83-0 n1cc(c(nc1N)N)Cc2cc(OC)c(OC)cc2Br~    1.640
24910-68-7 O(c1ccccc1)c2cc(cc(c2)Cl)Cl~    5.210
24910-69-8 O(c1ccccc1)c2cc(ccc2Cl)Cl~    5.130
24910-73-4 O(c1ccc(cc1)Cl)c2cc(cc(c2)Cl)Cl~    5.770
24964-64-5 N#Cc1cccc(C=O)c1~    1.180
25006-32-0 O=P(Oc1cc(c(cc1Cl)Br)Cl)(OC)c2ccccc2~    4.580
25007-30-1 O=C(Oc1ccccc1C(C)C)N(C)C~    2.650
25021-08-3 O=C(O)CN1C(=O)C=CC1(=O)~   -0.140
25052-57-7 O=C(Nc1ccc(c(c1)Cl)Cl)SC~    4.230
25057-89-0 O=C1c2ccccc2(NS(=O)(=O)N1C(C)C)~    2.340
25116-00-1 N#Cc1ccccc1(NC(=O)C)~    0.570
25122-41-2 O=C1C=CC3(C(=C1)CCC2C4CC(C)C(O)(C(=O)CCl)C4(C)(CC(O)C23(F)))(C)~    2.480
25122-43-4 O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CC)(C(=O)CBr)C4(C)(CC(=O)C23(F)))(C)~    3.550
25122-46-7 O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CC)(C(=O)CCl)C4(C)(CC(O)C23(F)))(C)~    3.500
25122-47-8 O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CCC)(C(=O)CCl)C4(C)(CC(O)C23(F)))(C)~    3.630
25122-49-0 O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CC)(C(=O)CCl)C4(C)(CC(O)C23Cl))(C)~    3.280
25122-56-9 O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CC)(C(=O)CCl)C4(C)(CC(=O)C23(F)))(C)~    3.460
25122-57-0 O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CCC)(C(=O)CCl)C4(C)(CC(=O)C23(F)))(C)~    3.760
25126-19-6 O=C(NC(CO)C(O)c1ccccc1)C(Cl)Cl~    0.940
25141-58-6 O=C(O)COc1ccccc1C(C)C~    2.840
25152-20-9 O=C1NC(=O)N(C=C1C)C2OC(CN)C(O)C2~   -2.050
25186-47-4 c1c(cc(cc1Cl)Cl)C~    3.990
25204-89-1 O=C(O)C(Oc1ccc(cc1C)Cl)CC~    3.470
25209-50-1 O=C(O)Cc1ccc(cc1)C2CCCC2~    3.440
25216-70-0 O=C(OC)Nc1ccccc1Br~    2.300
25216-72-2 O=C(OC)Nc1cccc(c1)Br~    2.750
25270-44-4 O=C(Nc1ccccc1)NS(=O)(=O)c2ccc(cc2)Cl~    3.610
25283-63-0 O=C(c1cnc2ccccc2(c1))N(C)C~    0.990
25311-71-1 O=C(OC(C)C)c1ccccc1(OP(OCC)(NC(C)C)=S)~    4.120
25314-91-4 O=C(c2c[nH]c1ccccc12)C~    2.060
25366-23-8 O=C(NC)N(c1nnc(C(F)(F)F)s1)C~    1.850
25371-75-9 O(CCC)P(OCCC)(C)=S~    3.260
25384-17-2 O=C(OC2(c1ccccc1)(CCN(C)CC2(CC=C)))CC~    2.970
25405-65-6 O=C3OC(CC)C(O)(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC1OC(C)C(O)C(N(C)C)C1(O))C(C)C(OC2OC(C)C(O)C(OC)(C)C2)C3C)C~    1.440
25413-64-3 O=NN(CCC)CCCC~    2.090
25414-22-6 o1cccc1OC~    1.440
25423-22-7 [N-]=[N+]=NC1C(O)C(OC(C)C1(O))OC3C(C)C(OC2OC(C)C(O)C(OC)(C)C2)C(C(=O)OC(CC)C(O)(C)C(O)C(C(=O)C(C)CC3(O)(C))C)C~    1.790
25429-23-6 C(=CBr)Br~    1.760
25460-87-1 O=C(O)CCC(NC(=O)C)C(=O)N~   -2.470
25526-93-6 O=C1NC(=O)N(C=C1C)C2OC(CO)C(F)C2~   -0.280
25580-68-1 O=C2C(=CC=Cc1oc(cc1)[N+](=O)[O-])SC(=O)N2C~    1.400
25580-69-2 O=C2C(=Cc1oc(cc1)[N+](=O)[O-])SC(=N)N2C~    1.440
25602-39-5 O=CNc1nccs1~    0.540
25603-06-9 O=C2N=C(NC)SC2(=Cc1oc(cc1)[N+](=O)[O-])~    1.160
25603-09-2 O=C2C(=Cc1oc(cc1)[N+](=O)[O-])SC(=NC)N2C~    1.420
25603-13-8 O=C2C(=Cc1oc(cc1)[N+](=O)[O-])SC(=O)N2CC~    2.290
25855-20-3 n1cc3ccccc3(nc1c2ccccc2)~    3.420
25933-30-6 O=C(Nc1ccccc1C)c2cc(ccc2(O))Cl~    4.210
25963-47-7 O=S(=O)(c1ccc(O)cc1)c2ccc(N)cc2~    1.570
25998-87-2 O=C(Nc2ccc(OCc1ccccc1)cc2)N(OC)C~    3.110
26019-18-1 c1cc(CCN(C)C)sc1~    1.990
26074-74-8 O=C(OC)C(=CC1C(C(=O)OC)C1(C)(C))C~    2.670
26087-47-8 O=P(OC(C)C)(OC(C)C)SCc1ccccc1~    3.340
26114-12-5 O=C(O)Cc1ccc(cc1)CCC~    3.000
26116-56-3 O=C3OC(CC)C(O)(C)C(O)C(C)C(N)C(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~    3.000
26118-57-0 O=C(O)Cc1ccc(OCCC)cc1~    2.310
26232-35-9 c1cc2c(c(c1)Cl)CCNCC2~    2.400
26328-59-6 O=C(c1ccccc1)c2ccc(N=C=S)cc2~    4.880
26399-36-0 O=[N+]([O-])c1cc(cc(c1N(CCC)CC2CC2)[N+](=O)[O-])C(F)(F)F~    5.440
26512-63-0 O=P(Oc1ccc(cc1C)SC)(OCC)OCC~    3.210
26621-45-4 O=[N+]([O-])c1ncn(n1)C~   -0.680
26644-46-2 O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl~    2.200
26675-46-7 FC(F)OC(C(F)(F)F)Cl~    2.060
26722-85-0 O=C(O)C3=C(CSC)CSC2N3(C(=O)C2(NC(=O)Cc1cccs1))~    1.010
26766-27-8 OC(c1cncnc1)(c2ccccc2)c3ccc(cc3Cl)Cl~    2.560
26787-78-0 O=C(O)C3N2C(=O)C(NC(=O)C(N)c1ccc(O)cc1)C2SC3(C)(C)~   -0.560
26798-03-8 O=P(Oc1ccc(c(c1)Cl)SC)(OCC)OCC~    2.940
26807-64-7 O=S(=O)(Nc1ncccc1Cl)c2ccc(N)cc2~    0.820
26819-07-8 O=C(NCC)c1cccc(c1)C~    1.320
26819-08-9 O=C(NCC)c1ccc(cc1)C~    1.380
26839-75-8 OC(COc1nsnc1N2CCOCC2)CNC(C)(C)C~    1.830
26891-02-1 O=C(C=Cc1cccc(c1)Br)C~    3.020
26970-95-6 O=C(O)C4=C(CSc1nnc(C)s1)CSC3N4(C(=O)C3(NC(=O)Cc2cccs2))~    0.670
26973-80-8 O=C(O)C2=C(COC(=O)C)CSC1N2(C(=O)C1(NC(=O)CBr))~   -0.700
27016-91-7 O=C(NC)N3C(=O)CN=C(c1ccccc1)c2cc(ccc23)[N+](=O)[O-]~    1.760
27179-29-9 O(c1cc(cc2OC(C)(C)C3CCC(=C)CC3(c12))CCCCC)C~    7.620
27221-03-0 O=C(c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])N2CC2)N(C)C~    0.630
27227-14-1 O=C(NCCN2CCN(c1ccccc1(OC))CC2)c3ccc(F)cc3~    2.500
27297-83-2 O=C(Oc1ccc(cc1)C=CC(=O)C)C~    1.630
27314-13-2 O=C1C(=C(C=NN1c2cccc(c2)C(F)(F)F)NC)Cl~    2.300
27325-36-6 OC(COc1ccccc1C2CC2)CNC(C)C~    3.070
27355-22-2 O=C1OCc2c1c(c(c(c2Cl)Cl)Cl)Cl~    3.200
27464-57-9 O=C2NC(=S)SC2(=CC=Cc1oc(cc1)[N+](=O)[O-])~    0.930
27464-82-0 n1nc(C)sc1C~    0.030
27471-82-5 O=C(Nc1ccc(cc1)Cl)CN2CCCCC2~    3.340
27472-83-9 O=C2N=C(NC)SC2(=CC=Cc1oc(cc1)[N+](=O)[O-])~    1.350
27472-90-8 O=C2N=C(NCCC)SC2(=Cc1oc(cc1)[N+](=O)[O-])~    1.240
27472-92-0 O=C2N=C(NC(C)C)SC2(=Cc1oc(cc1)[N+](=O)[O-])~    1.290
27489-28-7 O=C(OC)CS(=O)(=O)c1ccccc1[N+](=O)[O-]~    0.780
27545-04-6 O=C(N)c1ccccc1(NCC(=O)C)~    0.610
27550-11-4 O=C2C(=Cc1oc(cc1)[N+](=O)[O-])SC(=O)N2C(C)C~    2.420
27640-19-3 O=NN(C(=O)N)CCCN(N=O)C(=O)N~   -0.300
27640-22-8 O=NN(C(=O)N)CCCCCCN(N=O)C(=O)N~    0.580
27653-63-0 O=C1NC(=O)C(C(=O)N1)(C)CC~    0.080
27693-70-5 O=C(O)c2ccccc2(Nc1cccc(c1)[N+](=O)[O-])~    4.570
27693-73-8 O=C(O)c2ccccc2(Nc1cccc(OC)c1)~    4.310
27696-28-2 O=C(O)c2ccccc2(Nc1cccc(c1)C(=O)C)~    4.070
27810-94-2 n1cc(c(nc1N)N)Cc3cc(OC)c(OC)c(OCc2ccccc2)c3~    2.370
27816-82-6 O=C(Nc1ccc(c(c1)Cl)Cl)Cc2ccccc2~    4.470
27843-08-9 O=C(N)NN=CCCc1ccccc1~    2.320
27876-24-0 n1ccc(cc1)CCCCCC~    4.350
27910-26-5 O=C(O)C3=C(COC(=O)C)CSC2N3(C(=O)C2(NC(=O)C(O)c1ccccc1))~   -0.440
27918-37-2 O=C(c1ccc(OC)cc1)CS(=O)(=O)c2ccccc2~    2.180
28165-71-1 O=C(Oc1c(cccc1Cl)Cl)C~    2.940
28165-91-5 Oc1cccc(c1(O))CCCCCCCCCCCCC~    7.750
28167-45-5 O=P(OCCC)(N)SCCC~    1.230
28167-49-9 O=P(OC)(NC)SC~   -0.070
28170-26-5 O=C(Nc1cccc(F)c1)N(OC)C~    1.680
28170-54-9 O=C(Nc1cccc(OC)c1)N(C)C~    1.730
28177-48-2 Fc1cccc(F)c1(O)~    1.960
28197-69-5 O=C(Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C)C~    0.940
28238-55-3 O=C(OC)Nc1ccc(cc1)CC~    2.720
28249-77-6 O=C(N(CC)CC)SCc1ccc(cc1)Cl~    3.400
28289-54-5 c1ccc(cc1)C2=CCN(C)CC2~    2.710
28313-52-2 N#CC(=NNc1cc(ccc1Cl)C(F)(F)F)C(=O)OCC~    4.450
28313-57-7 N#CC(=NNc1ccc(c(c1)C(F)(F)F)Cl)C(=O)OCC~    4.860
28313-58-8 N#CC(=NNc1cc(cc(c1)Cl)Cl)C(=O)OC~    4.500
28313-59-9 N#CC(=NNc1cc(cc(c1)Cl)Cl)C(=O)OCC~    3.820
28313-60-2 N#CC(=NNc1ccc(cc1)S(=O)(=O)C(F)(F)F)C(=O)OC~    4.220
28313-64-6 N#CC(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC~    4.140
28313-69-1 N#CC(=NNc1c(cc(cc1Cl)C(F)(F)F)Cl)C(=O)OC~    4.360
28313-74-8 N#CC(=NNc1cccc(c1)C(F)(F)F)C(=O)OC~    3.780
28313-76-0 N#CC(=NNc1ccc(cc1)C(F)(F)F)C(=O)OC~    3.790
28313-77-1 N#CC(=NNc1cc(ccc1Cl)C(F)(F)F)C(=O)OC~    4.420
28313-79-3 N#CC(=NNc1ccc(cc1[N+](=O)[O-])C(F)(F)F)C(=O)OC~    3.440
28313-92-0 N#CC(=NNc1ccc(cc1)SC(F)(F)F)C(=O)OC~    4.300
28317-56-8 N#CC(=NNc1cc(ccc1Cl)C(F)(F)F)C(=O)C~    5.080
28317-58-0 N#CC(=NNc1ccc(cc1)Cl)C(=O)C~    4.100
28317-59-1 N#CC(=NNc1ccccc1Cl)C(=O)C~    4.000
28317-60-4 N#CC(=NNc1cccc(c1)Cl)C(=O)C~    3.900
28317-61-5 N#CC(=NNc1ccc(c(c1)Cl)Cl)C(=O)C~    4.560
28317-62-6 N#CC(=NNc1cc(cc(c1)Cl)Cl)C(=O)C~    4.680
28317-64-8 N#CC(=NNc1ccc(cc1C)Cl)C(=O)C~    4.280
28317-71-7 N#CC(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)C~    3.400
28317-78-4 N#CC(=NNc1ccc(cc1)SC(F)(F)F)C(=O)C~    5.040
28317-91-1 N#CC(=NNc1cccc(c1)Cl)C(=O)C(C)(C)C~    4.620
28317-94-4 N#CC(=NNc1ccc(cc1C(F)(F)F)Cl)C(=O)C(C)(C)C~    5.670
28322-78-3 N#CC(=NNc1cc(c(cc1Cl)Cl)Cl)C(=O)OCC~    5.210
28343-25-1 N#CC(=NNc1cc(ccc1Cl)C(F)(F)F)C(=O)C(C)(C)C~    5.310
28343-27-3 N#CC(=NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C(C)(C)C~    5.440
28343-28-4 N#CC(=NNc1cc(c(cc1Cl)Cl)Cl)C(=O)C(C)(C)C~    5.860
28354-19-0 N#CCNc1ccccc1(C(=O)O)~    1.800
28384-50-1 N#CC(=NNc1ccccc1C(F)(F)F)C(=O)OC~    3.700
28529-34-2 O=C(N)C(NC(=O)C)CC(C)C~   -0.130
28615-21-6 O=C(NC(=O)c1ccccc1)NCC~    1.920
28616-93-5 O=C1NC(=O)N(C=C1Br)C2OC(CO)CC2~   -0.990
28648-86-4 O=C(N)c1ncncc1~   -0.680
28795-24-6 O=[N+]([O-])c1cnc(n1CCCS(=O)(=O)C)C~   -1.000
28822-58-4 O=C2c1[nH]cnc1N(C(=O)N2C)CC(C)C~    1.150
28879-93-8 O=C2N3c1cc(OC)c(OC)cc1C46(CCN5CC7CCOC(C2)C(C34)C7(CC56))~    0.840
28910-86-3 O=C1Nc3ccc(cc3(C(=NC1)c2c(F)cccc2(F)))Cl~    2.680
28915-24-4 n1nc(oc1C)SCc2ccccc2~    1.740
29074-04-2 OCC2OC(Oc1ccc(cc1)C(C)(C)C)C(O)C(O)C2(O)~    1.180
29091-05-2 O=[N+]([O-])c1cc(c(N)c(c1N(CC)CC)[N+](=O)[O-])C(F)(F)F~    4.300
29094-61-9 O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3ncc(nc3)C~    1.910
29121-29-7 O=C(N)Cc1cccc(OCC(O)CNC(C)C)c1~    0.220
29122-68-7 O=C(N)Cc1ccc(OCC(O)CNC(C)C)cc1~    0.160
29152-10-1 O=C(Nc1nccs1)C3C(=O)c2ccccc2S(=O)(=O)N3(C)~    1.640
29230-99-7 O=C(Oc1ccccc1C(=O)C)N(C)C~    0.930
29232-93-7 n1c(OP(OC)(OC)=S)cc(nc1N(CC)CC)C~    4.200
29247-87-8 O=C(NN)c1ccnc(c1)I~    0.520
29366-72-1 O=[N+]([O-])c1cccc(c1)c2nc(nc(n2)N)N~    1.570
29366-73-2 O=[N+]([O-])c1ccc(cc1)c2nc(nc(n2)N)N~    1.600
29366-77-6 n1c(nc(nc1N)c2ccccc2Cl)N~    1.190
29418-67-5 O=C(NN)c1ccccc1Br~    0.260
29442-60-2 O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2Cl))Cl)COC~    3.230
29442-82-8 O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2))Cl)CSC~    3.320
29507-66-2 C1(=C(CCC)SSC1=S)CC~    3.760
29526-42-9 n1cccc2cccc(c12)N(C)C~    2.730
29604-73-7 n1nc(ccc1N(C)C)N(C)C~    0.990
29650-44-0 O=C(Oc1ccccc1(F))C~    1.760
29682-39-1 O=[N+]([O-])c1ccc(c(c1)Cl)Br~    3.250
29701-43-7 O=C(N)CNC(=O)C(NC(=O)C)Cc1ccccc1~   -0.500
29736-21-8 O=C(Oc1ccc(OC)cc1)CNC(=O)c2ccccc2~    2.280
29736-22-9 O=C(Oc1ccc(F)cc1)CNC(=O)c2ccccc2~    2.460
29849-15-8 O=C(NN)c1ccnc(c1)Br~    0.250
29854-52-2 O=C2N6c1ccc(cc1C57(CCN4CC3=CCOC(C2)C(C3CC45)C67))[N+](=O)[O-]~    1.610
29945-54-8 [O-][n+]1onc(c1(N))c2ccccc2~    1.420
29973-91-9 O=C(O)Cc2ccc(OCc1ccccc1)c(OC)c2~    2.590
30022-13-0 O=C(Oc1ccc(N)cc1)CNC(=O)c2ccccc2~    1.010
30059-86-0 [O-][n+]2onc(N)c2(c1ccccc1)~    1.470
30085-34-8 O=C(NO)Nc1ccc(cc1)Cl~    1.390
30087-17-3 O=C(Nc1cccc(O)c1)N(OC)C~    0.830
30101-52-1 n1c(nc(nc1N)c2cccc(c2)Br)N~    2.440
30125-76-9 O=C2N(Cc1ccccc1)CC(=O)C2~    0.760
30144-56-0 O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2))N(C)C~    2.430
30144-75-3 O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2Cl))N(C)C)C~    2.720
30144-88-8 O=C1N(c3ccc(cc3(C(=NC1)c2c(cccc2Cl)Cl))Cl)C~    3.040
30176-62-6 c1ccc(cc1)C34(CC2CC(CC(C2)C3)C4)~    5.550
30195-30-3 O=C1Nc3ccc(cc3(C(=NC1)c2ccc[nH]2))Cl~    2.590
30345-85-8 O=C1NC(=O)N(C1(=O))Cc2ccccc2~    1.190
30379-59-0 O=C(OCc1ccccc1)NC~    1.680
30508-78-2 FC(F)(F)c1cccc(c1)c2nc(nc(n2)N)N~    2.670
30516-87-1 [N-]=[N+]=NC1CC(OC1(CO))N2C=C(C(=O)NC2(=O))C~    0.050
30530-43-9 Fc1cccc(c1)c2nc(nc(n2)N)N~    1.730
30530-44-0 Fc1ccc(cc1)c2nc(nc(n2)N)N~    1.610
30532-36-6 n1ccc(cc1)CCCN~    0.400
30544-61-7 O=C(O)CCCN(C(=O)c1ccc(cc1)Cl)c2ccc(OC)cc2~    2.700
30560-19-1 O=C(NP(=O)(OC)SC)C~   -0.850
30652-11-0 O=C1C=CN(C(=C1(O))C)C~   -0.770
30652-12-1 O=C1C=CN(C(=C1(O))C)CC~   -0.310
30652-13-2 O=C1C=CN(C(=C1(O))C)CCC~    0.180
30652-14-3 O=C1C=CN(C(=C1(O))C)C(C)C~    0.050
30652-15-4 O=C1C=CN(C(=C1(O))C)CCCC~    0.700
30652-17-6 O=C1C=CN(C(=C1(O))C)CCCCC~    1.240
30652-18-7 O=C1C=CN(C(=C1(O))C)CCCCCC~    1.900
30652-21-2 O=C1C=CN(C(=C1(O))C)CCO~   -1.100
30685-43-9 O=C1OCC(=C1)C6CCC7(O)(C8CCC5CC(OC4OC(C)C(OC3OC(C)C(OC2OC(C)C(OC)C(O)C2)C(O)C3)C(O)C4)CCC5(C)C8(CC(O)C67(C)))~    1.800
30717-57-8 O=C(c1cccs1)N(C)C~    0.750
30820-34-9 O=C(NC2C(=O)N(c1ccccc1)C(=O)C2)C~   -0.330
30826-80-3 C1(N(CC)CCN1CC)=S~    1.130
30922-52-2 O=Nc1c(O)c2ccccc2(cc1Br)~    2.930
30961-38-7 O=S(=O)(Nc1ncc(cc1Cl)Cl)c2ccc(N)cc2~    1.970
30961-39-8 O=S(=O)(Nc1ncccc1Br)c2ccc(N)cc2~    1.240
30961-41-2 O=S(=O)(Nc1ncc(cc1Br)Br)c2ccc(N)cc2~    2.740
30961-42-3 O=S(=O)(Nc1ncc(cc1C)Br)c2ccc(N)cc2~    2.050
31017-40-0 c1ccc(cc1)C2=CCCCC2~    4.530
31036-66-5 O=C2N(c1cccc(c1)[N+](=O)[O-])C(=O)CC2~    0.380
31080-39-4 O=C(O)C(CCC)CCCCC~    3.200
31088-06-9 O=C1N=C(N)C=CN1C2OC(COC(=O)CCCCCCCCCCCCCCC)C(O)C2(O)~    5.030
31108-57-3 N#Cc1cn[nH]c1~    0.240
31112-62-6 O=C(NC1C(O)OC(CO)C(O)C1(O))c2c(c(NC(=O)C)c(c(c2I)N(C(=O)C)C)I)I~   -1.890
31121-11-6 OCCCNc1ccccc1~    0.570
31122-82-4 O=C(c1c(c(C(=O)N(C)CC(O)CO)c(c(c1I)N(C(=O)C)CCO)I)I)N(C)CC(O)CO~   -2.280
31122-84-6 O=C(Nc1c(c(C(=O)N(C)CC(O)CO)c(c(C(=O)N(C)CC(O)CO)c1I)I)I)C~   -2.710
31218-83-4 O=C(OC(C)C)C=C(OP(OC)(NCC)=S)C~    3.820
31357-16-1 O=COC3C(OC(OC2C(C(=O)OC(CC)C(O)(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1(O))C2(C))C)C)CC3(OC)(C))C~    2.640
31357-18-3 O=C(OC3C(OC(OC2C(C(=O)OC(CC)C(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1(O))C2(C))C)C)CC3(OC)(C))C)C~    3.230
31357-41-2 O=COC3C(OC(OC2C(C(=O)OC(CC)C(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1(O))C2(C))C)C)CC3(OC)(C))C~    3.050
31357-44-5 O=C(OC3C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1(O))C(C)C(OC2OC(C)C(O)C(OC)(C)C2)C(C(=O)OC(CC)C3(C))C)C)C~    3.320
31365-74-9 O=S2(=O)(NC(=Nc1ccc(F)cc12)C)~    0.620
31378-03-7 O=C(c1ccccc1)CS(=O)(=O)c2ccc(cc2)C~    2.450
31431-39-7 O=C(OC)Nc1nc2cc(ccc2([nH]1))C(=O)c3ccccc3~    2.830
31542-48-0 O=C2c1[nH]cnc1N(C(=O)N2C)CCCC~    1.290
31551-45-8 O=C1c3cc(ccc3(c2ccc(cc12)[N+](=O)[O-]))[N+](=O)[O-]~    2.840
31592-84-4 O=C(Nc1cc(cc(c1)Cl)Cl)C~    3.170
31599-68-5 FC(F)(F)c1cccc(c1)C2OCCNC2~    2.180
31604-28-1 c2cc(c1c(cc(cc1Cl)Cl)c2Cl)Cl~    5.760
31652-78-5 O=C1N=C(N)C=CN1C2OC(CCl)C(O)C2(O)~   -1.050
31698-14-3 N=C1N=C2OC3C(O)C(OC3(N2(C=C1)))CO~   -2.370
31710-30-2 O(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl~    8.160
31777-46-5 O=C1C=C2C=CC=CC2(=NN1)~    0.680
31790-44-0 c1ccc(cc1)C3(N2CCCCC2)(CCC(CC3)C(C)(C)C)~    6.670
31803-00-6 n1nc(oc1N)Cc2ccccc2~    0.950
31820-22-1 O=NN(C)CC(C)(C)C~    1.340
31835-53-7 n2c1ccccc1c(OC)cc2C~    2.810
31842-01-0 O=C(O)C(c1ccc(cc1)N3C(=O)c2ccccc2C3)C~    2.770
31883-05-3 O=C(OCC)Nc1ccc4c(c1)N(C(=O)CCN2CCOCC2)c3ccccc3S4~    2.980
31898-94-9 O=C3NC(Oc1ccc2ccccc2(c1))C3~    2.290
31935-08-7 n1c(nc(c(c1N)C34(CC2CC(CC(C2)C3)C4))C)N~    2.640
31991-98-7 O=C2C(NCCCC)=C(N(C(=O)N2(c1ccccc1))C)C~    1.690
31992-01-5 O=C2NC(=O)N(c1ccccc1)C(=C2N(C)C)C~    1.400
32092-29-8 O=C1C=CN=C2N1C(C)CCC2~    0.300
32139-72-3 Oc1c(O)c(c(cc1Cl)Cl)Cl~    3.600
32150-74-6 O=C1C(=C(N(C(=O)N1c2ccccc2)C)C)N3CCOCC3~    0.690
32150-76-8 O=C1C(=C(N(C(=O)N1c2ccccc2)CC=C)C)N(C)C~    1.440
32226-54-3 OC1C(=CCC(C1)C(O)(C)C)C~    1.810
32319-90-7 O=NN(C(=O)NC1CCSCC1)CCF~    1.430
32345-29-2 O(c1ccccc1)P(OCC)(OCC)=S~    3.460
32387-21-6 O=C(O)c1cn(c2ccccc12)C~    2.000
32451-61-9 O=C(N)Nc2cccc1cccnc12~    1.620
32483-15-1 O=C(NC(C(=O)NC)CC(C)C)C~    0.140
32483-16-2 O=C(NC(C(=O)NC)C(C)CC)C~    0.140
32527-55-2 O=C(N1CCN(CCO)CC1)CN3c2cc(ccc2SC3(=O))Cl~    1.040
32551-31-8 O=C(OC)c1nonc1C~    0.940
32557-55-4 O=C(NC)c2ccccc2(C(=O)c1ccccc1)~    2.090
32562-52-0 O=C(O)Cc1ccc(cc1)N(C(=O)C)CCCl~    1.200
32598-10-0 c1cc(c(cc1c2ccc(cc2Cl)Cl)Cl)Cl~    6.310
32598-14-4 c1cc(c(cc1c2ccc(c(c2Cl)Cl)Cl)Cl)Cl~    6.790
32620-68-1 O=C(OCOC(=O)C)c1ccccc1(OC(=O)C)~    1.420
32690-93-0 c1cc(ccc1c2cc(c(cc2Cl)Cl)Cl)Cl~    6.670
32695-27-5 O=S(=O)(c1ccc(N)cc1)c2ccc(cc2)NO~    0.880
32743-27-4 O=C(c1nccnc1)N(C)C~   -0.800
32747-08-3 O=C(O)CNC(=O)CCC(C)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)(C3(CCC12(C)))~    1.900
32768-54-0 c1cc(c(c(c1)Cl)Cl)C~    3.960
32774-16-6 c1c(cc(c(c1Cl)Cl)Cl)c2cc(c(c(c2)Cl)Cl)Cl~    7.410
32809-16-8 O=C2N(c1cc(cc(c1)Cl)Cl)C(=O)C3(C)(CC23(C))~    3.080
32857-63-9 O=C(O)Cc1ccc(cc1)C(C)(C)C~    2.980
32865-61-5 O=C(Oc1ccccc1I)C~    2.550
32889-48-8 N#CC(Nc1nc(nc(n1)Cl)NC2CC2)(C)C~    1.990
32954-58-8 O=C(c1cocc1)CCC(O)C~    0.840
32968-43-7 N1=C(OC(C1)COc2ccccc2)N~    1.270
33021-53-3 O=C(c1cnc2ccccc2(c1))C~    1.760
33021-93-1 O=NN(C(=O)NC(C)(C)Cc1ccccc1)CCCl~    3.730
33021-94-2 O=NN(C(=O)NC1C=CCCC1)CCCl~    2.450
33022-01-4 O=NN(C(=O)NC1CCSCC1)CCCl~    2.070
33022-02-5 O=NN(C(=O)NC1CCS(=O)(=O)CC1)CCCl~    0.190
33022-04-7 O=NN(C(=O)NC1CSCSC1)CCCl~    2.080
33022-05-8 O=NN(C(=O)NC1CS(=O)(=O)CS(=O)(=O)C1)CCCl~   -0.940
33024-47-4 O=NN(C(=O)NC1CSCSC1)CCF~    1.540
33025-41-1 c1cc(ccc1c2ccc(c(c2Cl)Cl)Cl)Cl~    5.840
33089-61-1 N(=CN(C=Nc1ccc(cc1C)C)C)c2ccc(cc2C)C~    5.500
33098-65-6 O=C(Nc1ccccc1CC)C~    1.320
33098-80-5 O=C(Nc1c(cccc1Br)Br)C~    1.530
33100-27-5 O1CCOCCOCCOCCOCC1~   -0.480
33101-81-4 O=C1ON(C(=O)N1)c2ccccc2~    1.740
33103-93-4 NC13(CC2CC(C1)CC(C)(C2)C3)~    3.010
33130-54-0 O=CN(C=1C(=O)NC(=O)N(C=1(N))C)C~   -1.300
33130-55-1 O=CN(C=1C(=O)N(C(=O)N(C=1(N))C)C)C~   -1.320
33138-16-8 n1c3cc(ccc3([nH]c1Cc2ccc(cc2)Br))Cl~    5.380
33284-52-5 c1c(cc(cc1Cl)Cl)c2cc(cc(c2)Cl)Cl~    6.600
33286-22-5 O=C(OC3C(=O)N(c1ccccc1SC3(c2ccc(OC)cc2))CCN(C)C)C~    2.700
33321-31-2 O=C1NC(=O)SC1Cc2ccccc2~    1.980
33330-89-1 O=C(N)c1ccccc1(N=NN(C)C)~    1.730
33330-91-5 O=C(N)c1ccc(N=NN(C)C)cc1~    1.200
33332-28-4 n1cc(nc(c1)Cl)N~    0.950
33332-30-8 n1cc(nc(c1)Cl)OC~    1.650
33332-31-9 n1cc(ncc1OC)Cl~    1.520
33332-53-5 O(c1ccccc1(OCCOC))CCOC~    1.120
33368-89-7 O=N2c1ccc(cc1N(=O)CC2)C~   -0.350
33419-42-0 O=C5OCC6C(OC1OC2COC(OC2(C(O)C1(O)))C)c3cc7OCOc7(cc3C(c4cc(OC)c(O)c(OC)c4)C56)~    0.600
33443-53-7 O=C2N=C(c1ccccc1)c3cc(ccc3(N2))Br~    2.710
33484-45-6 O=C(N)C1=CN=C2N(C1(=O))C(C)CCC2~    0.040
33489-27-9 C1(C(C(C(C(C1Cl)Cl)I)Cl)Cl)Cl~    4.010
33576-92-0 O(c1ccccc1)P(OC)(OC)=S~    3.030
33597-78-3 O=S(=O)(c1ccc(N)cc1)c2c(cc(cc2C)C)C~    3.060
33602-03-8 O=C1N(C(=O)CCCCCCCCC)CCC1~    4.330
33629-47-9 O=[N+]([O-])c1cc(cc(c1(NC(C)CC))[N+](=O)[O-])C(C)(C)C~    4.930
33665-20-2 O=C1C(=NN=C(N1(N))C)C(C)(C)C~    1.030
33665-71-3 O=C1C(=NN=C(NCCCC)N1(N))C(C)C~    1.780
33671-46-4 O=C2N(c1c(cc(CC)s1)C(=NC2)c3ccccc3Cl)C~    3.180
33693-04-8 n1c(nc(nc1NCC)NC(C)(C)C)OC~    3.100
33715-62-7 O=C(Nc1cc(c(c(c1)Cl)Cl)Cl)C~    3.760
33719-74-3 O(c1cc(cc(c1)Cl)Cl)C~    3.800
33757-42-5 O=C(Nc2cccc1cccnc12)C~    1.910
33854-15-8 O=C1OC2C=C(C)C(OC(=O)C)CC(O)C(=CC(OC(=O)C(=CC)C)C2(C1(=C)))C~    1.160
33857-26-0 O1c3ccc(cc3(Oc2ccc(cc12)Cl))Cl~    5.750
33862-44-1 O=P(Oc1ccccc1)(Oc2ccccc2)NN~    1.510
33870-85-8 n1cc(nc(OCC)c1)OCC~    2.550
33873-10-8 Fc1nc(cnc1)Cl~    1.160
33979-03-2 c2c(cc(c(c1c(cc(cc1Cl)Cl)Cl)c2Cl)Cl)Cl~    7.550
34014-18-1 O=C(NC)N(c1nnc(C(C)(C)C)s1)C~    1.790
34017-16-8 O=C(N)C(NC(=O)CNC(=O)C)Cc1ccccc1~   -0.560
34017-17-9 O=C(N)C(NC(=O)CNC(=O)C)CC(C)C~   -0.780
34017-18-0 O=C(N)C(NC(=O)CNC(=O)C)C(C)C~   -1.330
34037-45-1 O=C(OC)c1ccc(cc1)S(=O)(=O)c2ccc(N)cc2~    2.130
34084-50-9 O=C1N(c3ccc(N)cc3(C(=NC1)c2ccccc2(F)))C~    1.300
34097-60-4 O=C(OC)CS(=O)(=O)c1ccccc1~    0.930
34175-79-6 O=C2OC3C=C(C)C1(O)(OC(C=C1)(C)CC(OC(=O)C(=CC)COC(=O)C)C3(C2(=C)))~    1.190
34190-59-5 O=C(NCc1cccc(OCC(O)CNC(C)C)c1)C~    0.340
34205-21-5 O=C1OC(=NN1c2ccc(cc2Cl)NC(=O)N(C)C)C(C)(C)C~    2.510
34206-60-5 OC2C(O)C45(CC(O)(C)C(CCC4(O)(C(O)(C)C3C1OC1C(C)(C)C23(O)))C5(O))~   -0.570
34222-71-4 O=[N+]([O-])C=Cc1ccccc1C~    2.630
34231-77-1 O=C(OC)c1cnncc1~   -0.270
34253-02-6 O=C(OC)c1nnccc1~   -0.430
34253-03-7 O=C(OC)c1ncccn1~   -0.710
34256-82-1 O=C(N(c1c(cccc1CC)C)COCC)CCl~    3.030
34262-32-3 O=S(=O)(c1ccc(N)cc1)c2cccc(N)c2~    1.030
34378-65-9 O=C(OC)CCC(NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)nc(nc3(N))N)C(=O)OC~    0.540
34380-54-6 O=C(O)COc1ccc(cc1)S(=O)(=O)F~    1.820
34385-93-8 O=C(O)C1Oc2ccccc2(OC1)~    1.400
34392-79-5 O=S(=O)(Nc1cccnc1Cl)c2ccc(N)cc2~    1.580
34444-01-4 O=C(O)C4=C(CSc1nnnn1C)CSC3N4(C(=O)C3(NC(=O)C(O)c2ccccc2))~    0.500
34569-18-1 O=C1NC(=O)C(C(=O)N1C)CCCC~    1.100
34643-46-4 O(c1ccc(cc1Cl)Cl)P(OCC)(=S)SCCC~    5.670
34645-84-6 O=C(O)Cc2ccccc2(Oc1ccc(cc1Cl)Cl)~    4.800
34681-10-2 O=C(ON=C(C)C(C)SC)NC~    1.100
34691-02-6 O=C(O)C3=C(C)CSC2N3(C(=O)C2(NC(=O)Cc1cccs1))~    0.610
34781-59-4 O=N3(c1ccccc1Sc2ccccc23)CCCN(C)C~    1.900
34803-66-2 n1ccccc1N2CCNCC2~    0.740
34816-55-2 C#CC3(O)(CCC2C4CCc1cc(O)ccc1C4(C(OC)CC23(C)))~    3.010
34834-67-8 O=C2N(C)C(c1cnccc1)CC2(O)~   -1.470
34839-70-8 n1c[nH]c(c1CSCCNC(NC)=S)C~    0.500
34846-64-5 N#Cc1cnc2ccccc2(c1)~    1.570
34861-40-0 O=C(Nc1ccc(cc1)C(C)C)N(OC)C~    2.950
34915-68-9 N#Cc1ccccc1(OCC(O)CNC(C)(C)C)~    1.600
34918-50-8 O=C(NC)COc1cccc(OCC(O)CNC(C)C)c1~    0.350
34939-39-4 O=C(NC)COc1ccc(OCC(O)CNC(C)C)cc1~    0.560
34970-69-9 n1c[nH]cc1CCCCNC(NC)=S~    0.390
34974-00-0 n1ccccc1CCCCN~    0.860
34993-08-3 O=NN2CCOC(c1ccccc1)C2C~    2.090
35203-88-4 O=C(c1cccc(c1)S(=O)(=O)N)C~    0.210
35203-91-9 O=S(=O)(N)c2cccc1cccnc12~    0.420
35204-11-6 O=C(Nc1ccccc1[N+](=O)[O-])CN2CCCCC2~    2.750
35231-36-8 Oc1cc(c(OCCN(C)C)cc1C)C(C)C~    2.930
35256-85-0 O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C~    3.000
35367-38-5 O=C(NC(=O)c1c(F)cccc1(F))Nc2ccc(cc2)Cl~    3.880
35386-24-4 O(c1ccccc1N2CCNCC2)C~    1.670
35400-43-2 O(c1ccc(cc1)SC)P(OCC)(=S)SCCC~    5.480
35407-50-2 O=C(OC)Nc1ccc(OCC)cc1~    2.150
35413-85-5 O=C2OCC3(C=C)(CC(OC(=O)C(=C)C)C1C(=C)C(=O)OC1C3(C2(=C)))~    1.560
35488-92-7 O=C2N(c1ccc(cc1)[N+](=O)[O-])C(=O)CC2~    0.460
35509-27-4 N#Cc1cccc2cccnc12~    1.390
35520-41-3 N#CC=CN(C)C~    0.470
35531-88-5 O=C(O)C5N4C(=O)C(NC(=O)C(C(=O)Oc1ccc2c(c1)CCC2)c3ccccc3)C4SC5(C)(C)~    3.770
35554-44-0 n1ccn(c1)CC(OCC=C)c2ccc(cc2Cl)Cl~    3.820
35575-96-3 O=C2Oc1cc(cnc1N2CSP(=O)(OC)OC)Cl~    1.050
35607-66-0 O=C(OCC3=C(C(=O)O)N2C(=O)C(OC)(NC(=O)Cc1cccs1)C2SC3)N~   -0.020
35659-69-9 O=C1C(=C(C)SS1)C~    1.730
35681-63-1 O=[N+]([O-])c1ncn(c1I)C~    1.000
35687-44-6 O=[N+]([O-])c1nc(n(c1(OC))C)C~   -0.090
35693-92-6 c1ccc(cc1)c2c(cc(cc2Cl)Cl)Cl~    5.470
35693-99-3 c1cc(c(cc1Cl)c2cc(ccc2Cl)Cl)Cl~    6.090
35694-06-5 c1cc(cc(c1c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl~    7.440
35694-08-7 c2c(c1cc(c(c(c1Cl)Cl)Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl~    8.680
35813-38-8 O=C(N(c1ccc(OC)cc1)C)C~    0.720
35822-46-9 O1c3cc(c(c(c3(Oc2c1c(c(c(c2Cl)Cl)Cl)Cl))Cl)Cl)Cl~    8.200
35834-26-5 O=CCC2CC(C(=O)C=CC3(OC3(C(C)C(OC(=O)CC(O)C(C)C2(OC1OC(C)CC(N(C)C)C1(O)))CC))(C))C~    2.190
35880-91-2 O=S(=O)(c1ccc(N)cc1)c2ccc(N)cc2(N)~    0.380
35889-00-0 O=C(O)Cc1ccc(cc1)C2CCCCC2~    3.910
35990-32-0 O=C(NN1CC=CCC1)C~    0.520
36067-73-9 n1c(oc2c1CCN(CC)CC2)N~    0.050
36070-75-4 N#Cc1ncc(nc1)Cl~    0.920
36070-79-8 O=C(N)c1nc(cnc1)Cl~    0.280
36092-88-3 Nc2cc1ccccc1n2C~    1.720
36093-54-6 O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2(F)))C(=O)C~    1.750
36335-67-8 O=[N+]([O-])c1ccc(cc1(OP(OCC)(NC(C)CC)=S))C~    4.620
36371-18-3 O=C(Nc1c(cccc1C)C)C2NCCNC2~    0.380
36380-48-0 O=C1NC(=O)C(C(=O)N1)(CC)CC(C)C(C)C~    2.020
36385-57-6 O=C(Nc1ccccc1)C2NCCNC2~    0.480
36385-59-8 O=C(Nc1ccccc1C)C2NCCNC2~    0.260
36557-05-8 Oc1cc(cc2OC(C)(C)C3CCC(=CC3(c12))CO)CCCCC~    5.330
36592-59-3 O=C(Nc1c(cc(O)c(c1C)C)C)C~    0.750
36635-02-6 C1(C(C(C(C(C1Cl)Cl)Br)Cl)Cl)Cl~    3.780
36637-18-0 O=C(Nc1c(cccc1C)C)C(N(CC)CCC)CC~    3.690
36664-18-3 O=[N+]([O-])c1nccn1CCN2CCOCC2~   -0.100
36734-19-7 O=C(NC(C)C)N2C(=O)N(c1cc(cc(c1)Cl)Cl)C(=O)C2~    3.000
36735-22-5 Fc1ccccc1C2=NCC(N(c3ccc(cc23)Cl)CC(F)(F)F)=S~    4.030
36865-51-7 N#CC(=NNc1cc(c(c(c1)Cl)Cl)Cl)C(=O)OCC~    5.030
36865-53-9 N#CC(=NNc1ccc2OC(F)(F)C(F)(F)Oc2(c1))C(=O)OC~    4.860
36865-54-0 N#CC(=NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)OC~    5.090
36865-56-2 N#CC(=NNc1cc(c(c(c1)Cl)Cl)Cl)C(=O)OC~    5.220
36865-60-8 N#CC(=NNc1ccc2OC(F)(F)C(F)(F)Oc2(c1))C(=O)C~    5.310
36865-72-2 N#CC(=NNc1ccc(cc1C(F)(F)F)Cl)C(=O)OC~    4.660
36865-77-7 N#CC(=NNc1ccc(c(c1)Cl)Cl)C(=O)OCC~    4.660
36874-60-9 N#CC(=NNc1ccc(c(c1)C(F)F)Cl)C(=O)OC~    3.800
36874-67-6 N#CC(=NNc1cccc(c1)Cl)C(=O)OCC~    3.940
36874-69-8 N#CC(=NNc1cccc(c1)Cl)C(=O)OC~    3.600
36874-72-3 N#CC(=NNc1cc(C#N)ccc1(C#N))C(=O)OC~    2.810
36874-74-5 N#CC(=NNc1ccccc1)C(=O)OC~    2.590
36894-69-6 O=C(N)c1cc(ccc1(O))C(O)CNC(C)CCc2ccccc2~    3.090
36905-04-1 N#CC(=NNc1cc(c(cc1Cl)Cl)Cl)C(=O)OC~    5.150
36975-20-9 O=C(c1c(nc(N)s1)C)CCN(C)C~    1.470
37053-15-9 O=C1C=CN(C=C1(O))CCN~   -0.660
37148-00-8 O=S2(=O)(NC(=Nc1cc(ccc12)Br)C)~    1.370
37148-02-0 O=S2(=O)(NC(=Nc1ccc(cc12)I)C)~    1.610
37148-03-1 O=S2(=O)(NC(=Nc1cc(ccc12)CC)C)~    1.250
37148-08-6 O=S2(=O)(NC(=Nc1cc(N)c(cc12)Cl)C)~    0.630
37148-21-3 O=S2(=O)(NC(=Nc1cc(ccc12)Cl)CC(C)C)~    2.350
37157-54-3 O=S2(=O)(NC(=Nc1ccc(cc12)Cl)CC(C)(C)C)~    2.710
37157-57-6 O=S2(=O)(NC(=Nc1cc(ccc12)Cl)CCl)~    1.680
37157-71-4 O=S2(=O)(NC(=Nc1cc(ccc12)Cl)COC)~    1.120
37157-82-7 O=S2(=O)(NC(=Nc1ccc(cc12)S(=O)(=O)N(C)C)C)~    0.320
37157-85-0 O=S2(=O)(NC(=Nc1ccc(cc12)Cl)CCCC)~    2.520
37157-92-9 O=S2(=O)(NC(=Nc1ccccc12)C4CC3C=CC4(C3))~    2.060
37157-97-4 O=S2(=O)(NC(=Nc1cc(ccc12)Cl)C(Cl)Cl)~    1.810
37157-99-6 O=S2(=O)(N=C(N)Nc1cc(ccc12)Cl)~    0.910
37158-00-2 O=S2(=O)(NC(=Nc1cc(ccc12)Cl)CSCC)~    2.260
37174-09-7 FC(F)(F)CN(CC)CC~    1.880
37178-37-3 O=C(OCC)C(N)Cc1ccc(O)c(O)c1~    0.280
37183-26-9 O=C(Nc1ccccc1[N+](=O)[O-])c2ccccc2(O)~    2.870
37350-58-6 OC(COc1ccc(cc1)CCOC)CNC(C)C~    1.880
37385-07-2 O=[N+]([O-])c2cnc(N=C1N(C)CC(O)CN1C)s2~    0.160
37394-79-9 O=[N+]([O-])c2cnc(N=C1NCC(O)CN1)s2~    0.740
37399-40-9 O=C(Nc1ccc(cc1[N+](=O)[O-])Cl)c2ccccc2(O)~    4.090
37422-15-4 O=[N+]([O-])c2cnc(N1C(=NCC1)SC)s2~    1.780
37427-69-3 O=C(OCCN2C(=Nc1ncc([N+](=O)[O-])s1)SCC2)C~    1.880
37517-30-9 O=C(Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C)CCC~    1.710
37595-73-6 O=S(=O)(Nc1ccc(cc1)C)C(F)(F)F~    3.600
37640-71-4 c1ccc(cc1)N(CCCN(CC)CC)C3Cc2ccccc2C3~    4.860
37680-65-2 c1ccc(c(c1)c2cc(ccc2Cl)Cl)Cl~    5.550
37680-73-2 c1cc(c(cc1Cl)c2cc(c(cc2Cl)Cl)Cl)Cl~    6.800
37761-96-9 O=C1NC(=Nc2[nH]nnc12)c3ccccc3~    1.270
37764-25-3 O=C(N(CC=C)CC=C)C(Cl)Cl~    1.840
37933-88-3 O=C(N)C(NC(=O)C)C(C)C~   -0.610
37941-84-7 O=C(OCC)C(NC(=O)CNC(=O)CNC(=O)CCCCSc2ncnc1[nH]cnc12)CC(C)C~    1.070
37984-36-4 O=C(O)Cc2ccccc2(Nc1cccc(c1C)Cl)~    4.640
38035-81-3 O=C2Nc3ccccc3(C=C2(c1ccccc1))~    2.990
38064-90-3 O(c1ccc(c(OC)c1)C)C~    2.760
38087-61-5 O=C(O)C3N2C(=O)C(NC(=O)C(NC(=O)C)c1ccccc1)C2SC3(C)(C)~    0.900
38099-11-5 O=C1NC(=O)N(C=C1(N=NN(C)C))C2OC(CO)C(O)C2(O)~   -1.820
38191-26-3 O=C(NN)Nc1ccccc1(O)~    0.330
38194-50-2 O=C(O)CC=2c3cc(F)ccc3(C(=Cc1ccc(cc1)S(=O)C)C=2C)~    3.420
38196-45-1 O=C1C=CC4(C(=C1)CCC3C4(C(=O)CC2(C)(C3(CCC2(OC(=O)CCCC)(C(=O)CO)))))(C)~    3.820
38212-89-4 O=C(O)C4N3C(=O)C(NC(=O)C(C(=O)Oc1ccccc1)c2ccccc2)C3SC4(C)(C)~    3.140
38291-82-6 O=C(NN)CCCC~   -0.110
38326-36-2 O=C(OCC)C1=CN=C2N(C1(=O))CCCC2~    0.150
38353-69-4 O=C(OCCOC(=O)C)c1ccccc1~    1.850
38363-40-5 OC(COc1ccccc1C2CCCC2)CNC(C)(C)C~    4.150
38367-19-0 O=C(Nc1cccc(c1)Cl)CN2CCCCC2~    3.450
38367-22-5 O=C(Nc1ccc(cc1)[N+](=O)[O-])CN2CCCCC2~    2.720
38380-03-9 c1cc(c(cc1c2c(ccc(c2Cl)Cl)Cl)Cl)Cl~    6.220
38380-04-0 c2cc(c(c(c1cc(c(cc1Cl)Cl)Cl)c2Cl)Cl)Cl~    7.280
38380-07-3 c1cc(c(c(c1c2ccc(c(c2Cl)Cl)Cl)Cl)Cl)Cl~    7.310
38397-06-7 O=[N+]([O-])c1ccc2c(O)cccc2(c1)~    3.500
38411-22-2 c2cc(c(c(c1c(ccc(c1Cl)Cl)Cl)c2Cl)Cl)Cl~    7.120
38444-73-4 c1ccc(c(c1)c2c(cccc2Cl)Cl)Cl~    5.480
38444-78-9 c1ccc(c(c1)c2cccc(c2Cl)Cl)Cl~    5.310
38444-84-7 c1cc(cc(c1)Cl)c2cccc(c2Cl)Cl~    5.570
38444-86-9 c1ccc(c(c1)c2ccc(c(c2)Cl)Cl)Cl~    5.870
38444-90-5 c1cc(ccc1c2ccc(c(c2)Cl)Cl)Cl~    5.900
38488-14-1 O=C(c1ccc(cc1)C)CS(=O)(=O)c2ccccc2~    2.700
38488-19-6 O=C(c1ccc(cc1)Cl)CS(=O)(=O)c2ccccc2~    2.690
38507-32-3 O=C1C(=C(N(C(=O)N1C)C)C)N(C)C~    0.990
38557-71-0 n1cc(nc(c1)Cl)C~    1.040
38580-89-1 O=C(OC(C)C)N(C)C~    1.380
38603-23-5 n1c[nH]cc1CSCCNC(NC)=S~    0.160
38603-64-4 O=C(NC)NCCSCc1[nH]cnc1C~   -0.060
38695-60-2 O=S(=O)(c1cccs1)C~    0.380
38717-44-1 n1nc(cc(c1)N(C)C)N(C)C~    0.840
38726-90-8 [N-]=[N+]=CC(=O)NCC(=O)NC~   -0.870
38726-91-9 [N-]=[N+]=CC(=O)NCC(=O)NCC~   -0.620
38776-76-0 OC2CC1C(C)C4CCC3C(O)C4(CC(O)C1(O)C2(C)(C))(CC3(O)(C))~    1.510
38954-41-5 O=C(NC2CC2(c1ccccc1))C~    1.430
39070-08-1 O=[N+]([O-])c1ncc(C=C)n1C~    0.640
39070-09-2 O=[N+]([O-])c1ncc(n1C)C(O)CO~   -0.890
39076-18-1 O=C(OC)Nc1cccc(c1)C~    2.290
39080-49-4 O=C1C=C(N=C2N1C(C)CCC2)C~    0.670
39080-57-4 O=C1C(=CN=C2C=CC=CN12)C~    0.770
39115-94-1 O=C(NN)c1cccc(c1)I~    1.530
39115-95-2 O=C(NN)c1ccc(cc1)I~    1.550
39123-39-2 O=C(OCC)c1cnncc1~    0.230
39190-66-4 N(CCC)CC(C)C~    2.070
39201-78-0 O(c1cc(cc(OC)c1(OCCC))CCN)C~    1.700
39201-82-6 O(c1cc(cc(OC)c1(OCC))CCN)C~    1.110
39209-88-6 n1cc(nc2ccccc12)OC~    2.310
39227-53-7 O1c3ccccc3(Oc2c1cccc2Cl)~    4.750
39227-54-8 O1c3ccccc3(Oc2cc(ccc12)Cl)~    5.000
39227-58-2 O1c3ccccc3(Oc2c1c(cc(c2Cl)Cl)Cl)~    6.350
39227-61-7 O1c3ccc(cc3(Oc2c1c(c(c(c2Cl)Cl)Cl)Cl))Cl~    7.400
39495-15-3 O=C(Nc1ccc(O)cc1C)C~    0.170
39515-41-8 N#CC(OC(=O)C1C(C)(C)C1(C)(C))c3cccc(Oc2ccccc2)c3~    5.700
39515-51-0 O=Cc2cccc(Oc1ccccc1)c2~    3.380
39552-01-7 O=C(c1oc2c(OCC(O)CNC(C)C)cccc2(c1))C~    2.020
39617-16-8 O=C(NCc1ccc(OCC(O)CNC(C)C)cc1)C~    0.320
39635-35-3 c1c(cc(cc1Cl)Cl)c2cc(c(c(c2Cl)Cl)Cl)Cl~    7.430
39638-51-2 O=C(OCCC)C(N)Cc1ccc(O)c(O)c1~    0.760
39640-62-5 O=C(N)Cc1ccncc1~   -0.650
39700-44-2 O1C(CCC1)=S~    0.600
39791-38-3 O=C(OC3(C(=O)CO)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(=O)CC23(C))))C~    2.450
39824-09-4 OCC1OC(OCCCC)C(O)C(O)C1(O)~   -1.040
39824-10-7 OCC1OC(OCCCCC)C(O)C(O)C1(O)~   -0.420
39845-47-1 C#CC3(O)(CCC2C4CCc1cc(O)ccc1C4(C(CC)CC23(C)))~    4.280
39860-12-3 n1c(N)n(c2ccc(cc12)C)C~    1.470
39923-25-6 O=C1c2ccccc2(N=NN1CSP(=O)(OCC)OCC)~    1.630
39938-79-9 O=C(Nc1cccc(N)c1)N(C)C~   -0.100
39960-99-1 O=C(N)c1ccc(cc1)C(O)C(NC(=O)C(Cl)Cl)CO~   -0.480
39961-02-9 O=C(Nc1ccc(cc1)C(O)C(NC(=O)C(Cl)Cl)CO)C2CC2~    0.750
39961-07-4 O=C(N)Nc1ccc(cc1)C(O)C(NC(=O)C(Cl)Cl)CO~   -0.600
40016-42-0 O=[N+]([O-])c2cnc(N1C(NCC1)=S)s2~    1.700
40026-24-2 O=C(O)C2Oc1ccc(cc1CC2)Cl~    2.400
40027-72-3 O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])CBr~    0.660
40065-00-7 FC(F)(F)c2ccccc2(N=C1NCCN1)~    1.420
40065-09-6 N(=C1NCCN1)c2c(cc(cc2Cl)Br)Cl~    2.660
40089-90-5 n1ccc(cc1)CCCCCCC~    5.000
40117-28-0 [O-][N+](=Cc1ccc(OC)cc1)C(C)(C)C~    1.210
40117-29-1 [O-][N+](=Cc1ccc(cc1)C)C(C)(C)C~    1.740
40246-14-8 O=C1OCC(=C1)C6CCC7(O)(C8CCC5CC(OC4OC(C)C(OC3OC(C)C(OC2OC(C)C(O)C(OC(=O)C)C2)C(O)C3)C(OC(=O)C)C4)CCC5(C)C8(CC(O)C67(C)))~    2.450
40257-94-1 N#CC(C#N)=NNc1ccc(cc1)C~    3.200
40262-48-4 N#Cc1nc(cnc1)N(C)C~    1.120
40274-67-7 O=C(O)c1ccc2Oc3ccccc3(C(=O)c2(c1))~    3.120
40279-26-3 n1c2ccccc2(ccc1SC)~    3.040
40295-80-5 OC(c1ccc2ccccc2(c1))C~    2.680
40321-76-4 O1c3cc(c(cc3(Oc2c1cc(c(c2Cl)Cl)Cl))Cl)Cl~    6.640
40427-75-6 OCC1OC(OCCCCCCCC)C(O)C(O)C1(O)~    1.460
40487-42-1 O=[N+]([O-])c1cc(c(c(c1(NC(CC)CC))[N+](=O)[O-])C)C~    5.180
40533-52-6 n1c(nc(nc1NCC2CC2)Cl)NCC~    2.850
40575-34-6 O=C(Oc1ccc(cc1Cl)Cl)N2CCCC2~    3.940
40581-94-0 O1c3cc(c(cc3(Oc2c1c(ccc2Cl)Cl))Cl)Cl~    6.390
40596-69-8 O=C(OC(C)C)C=C(C=CCC(C)CCCC(OC)(C)C)C~    5.500
40611-76-5 O=C(OC)c1c[nH]c(c1)C~    1.960
40637-78-3 O=C(N)c1c(cccc1C)[N+](=O)[O-]~    0.100
40805-79-6 N#Cc1cncnc1~   -0.500
40837-24-9 O=C1N(c3ccc(N)cc3(C(=NC1)c2ccccc2))COC~    1.320
40837-34-1 O=C1N(c3ccc(N)cc3(C(=NC1)c2ccccc2(F)))COC~    1.310
40843-25-2 O=C(O)C(Oc2ccc(Oc1ccc(cc1Cl)Cl)cc2)C~    4.580
40852-07-1 n1cc(cc2nc([nH]c12)SC)Cl~    2.390
40863-78-3 O=C(OCc2c1C(=O)C(OC)=C(C(=O)c1n3c2C(OC(=O)C)CC3)C)N~    1.540
40912-73-0 O=C(N)c1cc(cc(c1(O))C)Br~    2.760
40912-87-6 O=C(NC)c1cc(cc(c1(O))C)Br~    3.510
40912-88-7 O=C(NCC)c1cc(cc(c1(O))C)Br~    3.610
40912-89-8 O=C(NCCCC)c1cc(cc(c1(O))C)Br~    4.210
40929-49-5 O=C(N)c1cncnc1~   -0.920
40948-30-9 O=C(NCCCN(C)C)c1ccccc1~    1.270
41020-77-3 O=C1OC4(CC1)(CCC3C5C(C(=O)OCC)CC2=CC(=O)CCC2(C)C5(CCC34(C)))~    2.540
41038-69-1 n1cccc(c1)CCCN~    0.440
41078-01-7 O=C1NC(=O)N(c2[nH]cnc12)CC~   -0.110
41078-02-8 O=C1NC(=O)N(c2[nH]cnc12)CCC~    0.330
41078-03-9 O=C1NC(=O)N(c2[nH]cnc12)CCCC~    0.840
41083-11-8 n1cnn(c1)[Sn](C2CCCCC2)(C3CCCCC3)C4CCCCC4~    5.300
41100-45-2 NC13(CC2CC(C1)CC(CC)(C2)C3)~    3.400
41110-33-2 O=C(OC)c1ncc(nc1)C~    0.170
41110-34-3 O=C(OCC)c1ncc(nc1)C~    0.610
41110-38-7 O=C(OC)c1nc(cnc1)C~    0.100
41110-59-2 O=NN(C(=O)NCC1OC(OC)C(O)C(O)C1(O))C~   -1.570
41167-74-2 O=C2N(c1ccc(cc1)Br)C(=O)CC2~    1.180
41205-21-4 O=C1C(=C(C(=O)N1c2ccc(F)cc2)Cl)Cl~    2.300
41411-63-6 c1cc(ccc1c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl~    7.310
41464-49-7 c2cc(c1cc(cc(c1)Cl)Cl)c(c(c2)Cl)Cl~    6.170
41464-51-1 c2cc(c1cc(c(cc1Cl)Cl)Cl)c(c(c2)Cl)Cl~    6.670
41483-43-6 O=S(=O)(Oc1nc(nc(c1CCCC)C)NCC)N(C)C~    2.700
41538-42-5 O(c1cc(c(OC)cc1CC(N)C)C(C)(C)C)C~    3.910
41643-81-6 O=C(OCC)COc1cccc2ccccc12~    2.900
41656-75-1 O=CNc1ccc(cc1)C(=O)C~    0.940
41708-72-9 O=C(Nc1c(cccc1C)C)C(N)C~    0.760
41744-40-5 O=C(O)C3N2C(=O)C(NC(=O)C(c1ccccc1)S(=O)(=O)O)C2SC3(C)(C)~    0.590
41859-85-2 O=C(NCc1ccc(O)cc1)c2ccccc2~    1.870
41941-66-6 O=P4(O)(OCC5OC(n1c3ncnc(N)c3(nc1Sc2ccc(cc2)Cl))C(O)C5(O4))~   -0.980
41992-17-0 O=C1CC[Ge](CC)(CC)CC1~    3.320
42013-74-1 O=N1C(C)(C)CC(N(C)CCO)CC1(C)(C)~    0.530
42103-65-1 O=C(O)C=COc1ccccc1~    2.270
42126-84-1 c1ccc2c(c1)c3ccc4C=CCc5ccc2c3c45~    5.780
42135-22-8 O=C2c1ccccc1c3cc(ccc23)[N+](=O)[O-]~    3.060
42175-93-9 O=C(NCc1ccccc1)CN2CCCC2~    1.690
42200-33-9 OC(COc1cccc2c1CC(O)C(O)C2)CNC(C)(C)C~    0.810
42288-41-5 O=C(O)COc1ccc(cc1)S(=O)(=O)C~    0.060
42307-14-2 O=[N+]([O-])c1cncn1CC#C~    0.520
42327-99-1 O=C(C)C(C)CN1CCCCC1~    1.280
42346-68-9 O=C(O)C1CC(=O)N(C)C1~   -1.500
42464-80-2 O=C(Nc2cccc1ncccc12)C~    0.710
42471-28-3 O=NN(C(=O)NCc1cnc(nc1(N))C)CCCl~    0.390
42509-80-8 n1c(nn(c1Cl)C(C)C)OP(OCC)(OCC)=S~    3.820
42558-93-0 O=NN(C(=O)NC1CCC(C(=O)O)CC1)CCCl~    1.610
42576-02-3 O=C(OC)c2cc(Oc1ccc(cc1Cl)Cl)ccc2[N+](=O)[O-]~    4.480
42583-67-5 O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(F)(F)F~    1.070
42585-33-1 O=N1C(C)(C)CC(NC)CC1(C)(C)~    0.840
42609-73-4 O=C(NC(c1ccccc1)(C)C)N(c2ccccc2)C~    3.020
42755-32-8 n1nc(sc1C)SCc2ccccc2~    2.350
42839-04-3 N#Cc1ncncc1~   -0.080
42839-08-7 O=C(OCC)c1ncccn1~   -0.310
42865-65-6 O=C(Nc1cccc(c1)C(=O)C)N(C)C~    0.950
42874-03-3 O=[N+]([O-])c2ccc(Oc1ccc(cc1Cl)C(F)(F)F)cc2(OCC)~    4.730
42924-53-8 O=C(C)CCc1ccc2cc(OC)ccc2(c1)~    3.080
43013-70-3 O=C(OCC)C=COc1ccccc1~    3.180
43032-67-3 O=S(=O)(c1cccc(OC)c1)C~    0.760
43170-88-3 O=C(OCC)CCC(NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)nc(nc3(N))N)C(=O)OCC~    0.980
43170-96-3 n1c(cn2c1CCCC2)CCN~    0.590
45810-14-8 O=C(Nc1cncnc1)C~   -0.220
46061-25-0 O=NN1CCC(CC1)C(C)(C)C~    2.540
46114-16-3 NC(Cc1ccccc1)C(C)C~    2.590
46209-39-6 n1cnn(c1)Cc2ccc(cc2)Cl~    1.840
46348-76-9 O=C(C=C)NCCCN1CCOCC1~   -0.530
46781-41-3 N=1C(=NC(N(C=1N)c2ccc(cc2)I)(C)C)N~    1.390
46833-92-5 O=C(NC(=N)N)Nc1ccc(c(c1)Cl)[N+](=O)[O-]~    1.790
47071-11-4 FC(F)(F)c1ccc(cc1)N2C(=NC(=NC2(C)C)N)N~    1.220
47082-97-3 C#CCOc1ccccc1(OCC(O)CNC(C)(C)C)~    2.320
47141-42-4 O=C2c1cccc(OCC(O)CNC(C)(C)C)c1CCC2~    2.400
49540-85-4 O=C(Oc1ccc(N=C=S)cc1)c2ccccc2~    4.900
49547-83-3 o1cccc1CCCN(C)C~    2.080
49561-47-9 O=[N+]([O-])c2oc(C=Cc1nccs1)cc2~    1.970
49606-44-2 O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2(F)))Cl)CC(F)(F)F~    3.360
49648-35-3 O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(C)Cl~    0.980
49648-37-5 O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(F)F~    0.420
49648-38-6 O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])CF~    0.150
49648-42-2 O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Br)(Br)Br~    2.170
49648-47-7 O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])Cc2ccccc2~    1.520
49648-48-8 N#CC(C(=O)NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])c2ccccc2~    1.470
49648-49-9 O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(CC)CC~    1.710
49648-50-2 O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(C)(C)C~    1.330
49648-53-5 O=C(NC(CO)C(O)c1ccc(cc1)I)C(Cl)Cl~    2.220
49648-64-8 O=C(NC(CO)C(O)c1ccc(cc1)c2ncccc2)C(F)(F)F~    1.310
49739-39-1 O=S(=O)(c1nonc1C)CC~    0.920
49739-41-5 O=S(=O)(c1no[n+]([O-])c1C)c2ccccc2~    2.030
49739-42-6 O=S(=O)(c1nonc1C)c2ccccc2~    2.360
49739-43-7 O=S(=O)(c1ccccc1)c2c(no[n+]2([O-]))C~    2.260
49845-48-9 n1cc(c(nc1N)N)Cc2cc(OC)c(c(OC)c2)C~    2.140
50275-23-5 n1onc(c1C)Sc2ccccc2~    2.920
50285-70-6 O=NN(C(=O)N(CC)CC)CC~    1.540
50285-71-7 O=NN(C(=O)N(C)C)CC~    0.710
50285-72-8 O=NN(C(=O)N(CC)CC)C~    1.110
50342-50-2 O=C(N)c1oc2ccccc2(c1)~    1.540
50375-10-5 O(c1c(ccc(c1Cl)Cl)Cl)C~    3.640
50394-27-9 O=C1OC4(CC1)(CCC3C6CCC2=CC(=O)CCC2(C)C56(OC5(CC34(C))))~    1.890
50405-44-2 O=C1OC(C)C(C)C(O)C1C~    0.360
50512-35-1 O=C(OC(C)C)C(C(=O)OC(C)C)=C1SCCS1~    2.880
50531-51-6 N(=C1NCCN1)c2cc(OC)ccc2(OC)~    0.970
50550-65-7 O=NN1C(=O)CCCC1~   -1.050
50563-36-5 O=C(N(c1c(cccc1C)C)CCOC)CCl~    2.170
50574-87-3 O=C(N1CCOCC1)COc2ccc(cc2)N3C(=NC(=NC3(C)C)N)N~   -1.180
50585-77-8 O=S(=O)(Nc1ccc(cc1)c2ccccc2)C(F)(F)F~    4.970
50590-05-1 O=[N+]([O-])c1c(cc(OP(OC)(OC)=S)cc1C)C~    3.890
50590-06-2 O=[N+]([O-])c1c(cc(OP(=O)(OC)OC)cc1C)C~    2.570
50615-70-8 OCC1OC(C(O)C(O)C1(O))SCCCc2ccccc2~    0.380
50629-82-8 O=C2C=C3C(F)CC1C4CC(C)C(O)(C(=O)CO)C4(C)(CC(O)C1(F)C3(C=C2Cl)C)~    2.580
50693-98-6 O=C(OC)CSc1ccccc1[N+](=O)[O-]~    1.880
50700-61-3 O=C1C=CN(C=C1(O))C~   -0.700
50702-39-1 O=S(=O)(N)c1cccc(c1)I~    1.580
50728-06-8 O=P(OCC)(CC)SCCSCC~    2.030
50780-68-2 O=C(OCCC)C(C(=O)OCCC)=C1SCCS1~    3.350
50780-69-3 O=C(OCCCC)C(C(=O)OCCCC)=C1SCCS1~    4.600
50780-72-8 O=C(OC(C)(C)C)C(C(=O)OC(C)(C)C)=C1SCCS1~    4.010
50780-76-2 O=C(OCC)C(C(=O)OC(C)C)=C1SCCS1~    2.900
50782-69-9 O=P(OCC)(C)SCCN(C(C)C)C(C)C~    2.090
50785-24-5 O=C(OCC(=O)OCC)c1ccccc1(OC(=O)C)~    1.670
50832-71-8 O=[N+]([O-])c2oc(C=Cc1nnc[nH]1)cc2~    1.100
50846-57-6 O=C(NCCn1c(ncc1[N+](=O)[O-])C)C~   -0.470
50916-16-0 O=C(Nc1cccc(c1)C)Cc2ccccc2~    3.140
50916-19-3 O=C(Nc1cccc(OC)c1)Cc2ccccc2~    2.860
50917-19-6 O=C1C(=NN=C(N1(N))N2CCOCC2)C(C)C~    0.490
50917-22-1 O=C1C(=NN=C(N1(N))SCC)C(C)C~    1.520
50917-23-2 O=C1C(=NN=C(N1(N))SCCC)C(C)C~    2.120
50917-24-3 O=C1C(=NN=C(N1(N))SC(C)C)C(C)C~    2.060
50917-25-4 O=C1C(=NN=C(N1(N))SCCCC)C(C)C~    3.210
51012-32-9 O=C(NCCN(CC)CC)c1cc(ccc1(OC))S(=O)(=O)C~    0.900
51048-00-1 O=C(O)C1Oc2ccccc2(C(=O)C1)~    1.260
51055-31-3 O=C(NCCC)c1cnccc1~    0.660
51092-19-4 N#CC4CC1=CC(=O)CCC1(C)C5CCC3(C)(C(CCC23(OC(=O)CC2))C45)~    1.670
51114-25-1 O=C(OCC)CN(C(=O)CCl)c1ccccc1Cl~    2.300
51114-26-2 O=C(OCC)CN(c1ccccc1)C(=O)CCl~    1.600
51170-56-0 O=C(OCc1ccccc1)N(CC)CC~    2.930
51207-31-9 o2c1cc(c(cc1c3cc(c(cc23)Cl)Cl)Cl)Cl~    6.530
51218-45-2 O=C(N(c1c(cccc1CC)C)C(C)COC)CCl~    3.020
51218-49-6 O=C(N(c1c(cccc1CC)CC)CCOCCC)CCl~    4.080
51220-06-5 N#Cc1ccc(cc1)C=CC(=O)C~    1.640
51235-04-2 O=C1N=C(N(C(=O)N1C2CCCCC2)C)N(C)C~    1.850
51246-73-2 O=C(c1ccncc1)c2ccccc2(OC)~    1.860
51246-76-5 O=C(c1ccncc1)c2ccc(cc2)S(=O)(=O)N~    0.560
51246-77-6 O=C(c1ccncc1)c2ccc(O)cc2~    1.370
51264-00-7 n1c[nH]c(c1CCCCNC(NC)=S)C~    0.850
51264-74-5 O=Cc1ccc(OCCOC(=O)CC)c(OC)c1~    1.330
51307-86-9 O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2(F)))CC~    2.920
51338-10-4 O=C(O)COc2ccc(Oc1ccc(cc1Cl)Cl)cc2~    4.510
51338-27-3 O=C(OC)C(Oc2ccc(Oc1ccc(cc1Cl)Cl)cc2)C~    4.620
51344-12-8 O(c1ccc(OCCN(C)C)cc1)C~    1.230
51344-14-0 O(c1ccc(cc1)C)CCN(C)C~    2.170
51422-77-6 O=C(OC)Nc1cccc(OC)c1~    1.920
51450-97-6 O=C2ON=C(C2(=NNc1ccccc1Cl))C~    2.600
51466-74-1 O(c1ccccc1)[Si]23(OCCN(CCO2)CCO3)~   -0.300
51466-75-2 O(c1ccc(cc1)C)[Si]23(OCCN(CCO2)CCO3)~    0.080
51466-76-3 O(c1ccc(cc1)Cl)[Si]23(OCCN(CCO2)CCO3)~    0.600
51543-29-4 O=S(=O)(c1ccc(N)cc1)N(c2ncccc2)C~    1.300
51575-56-5 OCC1OC(C(O)C(O)C1(O))SCCCCCC~    0.860
51581-33-0 O=C(Oc1cccnc1[N+](=O)[O-])N(C)C~    0.540
51581-34-1 O=C(Oc1cccnc1Cl)N(C)C~    1.040
51581-36-3 O=C(Oc1cccnc1I)N(C)C~    1.260
51596-10-2 O=C3OC2CC(OC1(OC(C)C(C)CC1)C2)CC=C(C)CC(C=CC=C4COC5C(O)C(=CC3C45(O))C)C~    5.300
51596-11-3 O=C3OC2CC(OC1(OC(CC)C(C)CC1)C2)CC=C(C)CC(C=CC=C4COC5C(O)C(=CC3C45(O))C)C~    5.900
51688-32-5 O=S(=O)(c1ccc(N)cc1)c2ccc(cc2)N(CC)CC~    3.000
51740-69-3 O=C1OCC(=C1)C6CCC7(O)(C8CCC5CC(OC4OC(C)C(OC3OC(C)C(OC2OC(C)C(OC)C(O)C2)C(O)C3)C(O)C4)CCC5(C)C8(CC(OC(=O)C)C67(C)))~    2.870
51754-90-6 O=P(N(C)C)(N(C)C)N(CC)CC~    0.660
51803-78-2 O=[N+]([O-])c2ccc(NS(=O)(=O)C)c(Oc1ccccc1)c2~    2.600
51908-16-8 c2c(c1cc(c(cc1Cl)Cl)Cl)c(c(cc2Cl)Cl)Cl~    7.120
51940-44-4 O=C(O)C1=CN(c2nc(ncc2(C1(=O)))N3CCNCC3)CC~   -2.150
51963-48-5 O=C(NNC(C)C)COc1ccccc1Cl~    1.820
51963-51-0 O=C(NNC(C)C)C(Oc1cccc(c1)Cl)C~    2.180
51963-53-2 O=C(NNC(C)C)C(Oc1ccccc1)(C)C~    1.880
51994-35-5 O=C(O)CCCC(=O)c1ccc(cc1)c2ccccc2~    3.350
52019-05-3 O=NN(C(=O)NC1C(O)COC(OC)C1(O))C~   -1.080
52019-10-0 O=NN(C(=O)NC1C(O)C(OC)OC(CO)C1(O))C~   -1.140
52049-26-0 O=NN(C(=O)NC1CCC(O)CC1)CCCl~    1.060
52067-44-4 O=P(OC)(NC(C)(C)C)SC~    0.960
52067-48-8 O=P(OC)(NCC)SC~    0.070
52067-50-2 O=P(OC)(NC(C)CC)SC~    0.950
52067-51-3 O=P(OC)(NCC(C)C)SC~    0.970
52067-52-4 O=P(OC)(NCCCCCC)SC~    1.110
52092-59-8 Oc1c(OC)c(OC)c(O)c(OC)c1(OC)~    0.390
52093-77-3 O=C(NNCC)COc1ccccc1~    1.000
52102-38-2 O=C(NC)NS(=O)(=O)c1ccccc1~    0.440
52102-41-7 O=C(NC(C)(C)C)NS(=O)(=O)c1ccccc1~    1.950
52113-78-7 O=C(OCC(C)C)N(C)C~    2.000
52121-41-2 O=C(Nc1ccc(c(c1)CC)Br)C~    3.330
52128-35-5 n1c(nc2ccc(c(c2(c1N))C)CNc3cc(OC)c(OC)c(OC)c3)N~    2.550
52222-71-6 n1cc(c[nH]1)CCCCC~    2.960
52237-19-1 O=C(O)CC(c1ccc(F)cc1)CN~   -1.600
52248-39-2 O=C(O)C4N3C(=O)C(NC(=O)c1c(noc1C)c2c(cccc2Cl)Cl)C3S(=O)C4(C)(C)~    2.570
52251-71-5 c1ccc2cc3cc(ccc3(cc2(c1)))CC~    5.850
52298-71-2 OCCN(c1nc(nc(n1)N(C)C)N(C)C)C~    1.960
52303-69-2 O=C(OC(C)C)C(C(=O)OC(C)C)=C1SCCS1(=O)~    1.600
52320-85-1 O=NN(C(=O)NC(C(=O)O)CCC(=O)O)CCCl~    0.600
52320-87-3 O=NN(C(=O)NC(C(=O)O)(C)C)CCCl~    1.740
52320-88-4 O=NN(C(=O)NC1(C(=O)O)(CCCC1))CCCl~    2.010
52329-50-7 O=C(N)C(NC(=O)C(NC(=O)C)Cc1ccc(O)cc1)Cc2ccccc2~    0.540
52386-94-4 O=C(O)CNC(=O)c1cccc(c1)I~    1.880
52387-57-2 O=C(NCNCC)c1ccccc1~    0.560
52387-58-3 O=C(NCNCC(C)C)c1ccccc1~    1.730
52398-34-2 C12(=C(CCCCCC1)SSC2=S)~    3.750
52416-13-4 N(=NN(C)C)c1ccccc1SC~    3.130
52416-14-5 N(=NN(C)C)c1cccc(c1)SC~    2.980
52485-79-7 Oc7ccc6c2c7(OC3C1(OC)(CCC4(CC1(C(O)(C)C(C)(C)C))(C(N(CCC234)CC5CC5)C6)))~    4.980
52514-89-3 C1=C(CC)SSC1=S~    2.310
52642-50-9 O=C(OCC(C)(C)CC)N~    1.450
52643-52-4 Oc1ccc(O)c(OC)c1(OC)~    0.610
52645-53-1 O=C(OCc2cccc(Oc1ccccc1)c2)C3C(C=C(Cl)Cl)C3(C)(C)~    6.500
52661-38-8 O=C2N=C(N)SC2(=Cc1oc(cc1)[N+](=O)[O-])~    1.090
52661-42-4 O=C2N=C(NC(=O)C)SC2(=Cc1oc(cc1)[N+](=O)[O-])~    1.030
52661-43-5 O=C2N=C(N(C(=O)C)C)SC2(=Cc1oc(cc1)[N+](=O)[O-])~    1.050
52661-45-7 O=C2N=C(SC2(=Cc1oc(cc1)[N+](=O)[O-]))SC~    1.410
52661-55-9 O=C1N=C(N(C)C)SC(=C1)c2oc(cc2)[N+](=O)[O-]~    0.550
52661-66-2 O=C(N=C2N(C(=O)C(=Cc1oc(cc1)[N+](=O)[O-])S2)C)C~    1.210
52661-68-4 O=C(N=C2N(C(=O)C(=Cc1oc(cc1)[N+](=O)[O-])S2)CCC)C~    1.170
52661-71-9 O=C2C(=Cc1oc(cc1)[N+](=O)[O-])SC(=O)N2CCC~    2.400
52663-59-9 c1ccc(c(c1)c2ccc(c(c2Cl)Cl)Cl)Cl~    6.110
52663-66-8 c1cc(c(c(c1c2cc(cc(c2Cl)Cl)Cl)Cl)Cl)Cl~    7.390
52663-77-1 c2c(c(c(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c(c2Cl)Cl)Cl)Cl~    8.160
52712-04-6 c1cc(c(cc1Cl)c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl~    7.190
52780-43-5 Oc1ccc(cc1)CCCCCCCCCCCCC~    8.200
52819-99-5 [N-]=[N+]=CC(=O)NCC(=O)NCCO~   -1.350
52829-30-8 O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2(F)))Cl)CC(O)CO~    1.510
52838-38-7 n1nc(oc1N)CCCC~    0.650
52838-39-8 n1nc(oc1N)C~   -0.920
52845-72-4 c1ccc3c(c1)C(=CCCN(C)C)c2cccc(c2CC3)Cl~    5.550
52888-80-9 O=C(N(CCC)CCC)SCc1ccccc1~    4.650
52918-63-5 N#CC(OC(=O)C1C(C=C(Br)Br)C1(C)(C))c3cccc(Oc2ccccc2)c3~    6.200
52980-49-1 O=C(c2ccccc2(OS(=O)(=O)c1ccc(cc1)C))N(C)C~    2.010
53179-12-7 O=C2Nc1cc(ccc1N2C5CCN(CCCC(c3ccc(F)cc3)c4ccc(F)cc4)CC5)Cl~    7.100
53207-52-6 O=C2c1ccccc1N(C)CC2(C)C~    2.720
53207-62-8 O=[N+]([O-])c1oc(cc1)N2C(NCC2)=S~    0.980
53207-64-0 O=C(C=Cc1ncc([N+](=O)[O-])s1)NC(C)C~    1.760
53285-95-3 O=C(Nc1ccccc1(F))N(C(=O)NC)C~    2.120
53316-92-0 O=C(Nc1cccc(c1)Br)CN2CCCCC2~    3.620
53369-17-8 OCC1CCC2CC1C2(C)(C)~    3.410
53409-75-9 O=[N+]([O-])c2cnc(C=Cc1ncncc1)n2C~    0.850
53439-65-9 O=P(N(C)C)(N1CCCC1)N2CCCC2~    1.880
53447-04-4 O=C(OC2c1ccccc1C3CCCCC3(C2(OC(=O)N)))N~    2.250
53550-91-7 NC(c1ccc(cc1)SC)=S~    2.010
53555-63-8 c2cc1c(cc(c(c1Cl)Cl)Cl)c(c2)Cl~    5.770
53555-64-9 c2c1c(cc(cc1Cl)Cl)c(cc2Cl)Cl~    6.190
53583-79-2 O=C(NCC1N(CC)CCC1)c2cc(ccc2(OC))S(=O)(=O)CC~    1.060
53596-19-3 O=C(O)C=COc1ccc(cc1Cl)Cl~    3.460
53643-53-1 O=CNC=Cc1ccc(OC)cc1~    1.940
53660-20-1 c1ccc(cc1)CC(NC)Cc2ccccc2~    3.800
53670-99-8 O=C(NCCNCC(O)COc1ccccc1)Cc2ccccc2~    0.630
53673-10-2 O=C(NCCN)c1ccccc1(OC)~    0.000
53675-52-8 c1ccc(cc1)[Sn]c2ccccc2~    1.900
53861-64-6 OC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl~    2.540
53951-84-1 O=C(OC)c1cnc2ccccc2(c1)~    2.250
53966-34-0 O=C2c1cc(ccc1N(O)C4=C2C(=O)CC(c3ccc(cc3)C(F)(F)F)C4)Cl~    3.460
54013-07-9 n1cc(ncc1OC)N~    0.630
54015-45-1 O=C(N)c1nc(OCC)cnc1~    0.610
54063-32-0 O=C1C=CC3(C(=C1)CCC2C4CC(C)C(O)(C(=O)CCl)C4(C)(CC(=O)C23(F)))(C)~    2.610
54108-51-9 O=S(=O)(c2cccc1ccccc12)C~    1.740
54135-80-7 O(c1ccc(c(c1Cl)Cl)Cl)C~    3.740
54135-82-9 O(c1cc(c(c(c1)Cl)Cl)Cl)C~    4.220
54266-44-3 O=C(ON=C1COCS1)NC~    0.060
54266-46-5 O=C(ON=C1C(OCS1)C)NC~    0.460
54266-55-6 O=C(ON=C1COCCS1)NC~    0.000
54266-80-7 O=C(ON=C1C(OCS1)CCC)NC~    1.520
54266-83-0 O=C(ON=C1C(OCS1)C(C)C)NC~    1.480
54266-84-1 O=C(ON=C1C(OCS1)CCOC)NC~    0.510
54267-24-2 O=[N+]([O-])c1ccc(OP(=O)(OC)NC)cc1~    1.270
54335-82-9 O=Cc1cccc(OC(=O)NC)c1~    0.920
54335-83-0 O=Cc1ccc(OC(=O)NC)cc1~    0.990
54387-29-0 O=[N+]([O-])c1cnc(n1C)CN2CCN(C)CC2~   -0.320
54466-88-5 O=C(O)CSc2c[nH]c1ccccc12~    1.780
54504-62-0 O=C1C(=CN=C2N1C(C)CCC2)C~    0.820
54593-83-8 O(CC)P(OCC)(OC(C(Cl)(Cl)Cl)Cl)=S~    4.590
54606-23-4 O=C(N)C1=CN=C2N(C1(=O))CCCC2~   -0.380
54606-24-5 O=C1C(=CN=C2N1CCCC2)C~    0.120
54620-68-7 O=C1C=C(OC=C1(O))COC~   -0.620
54680-35-2 O=NN(C(=O)Nc1ccccc1)CC~    2.250
54704-34-6 NC(C)CC1CCCCC1~    2.960
54705-16-7 O=C(N)c1ccccc1SC~    0.710
54831-57-1 O=C(N)C(NC(=O)C)Cc1nc[nH]c1~   -1.700
54850-02-1 O=C(Nc1ccc(F)cc1)c2cc(cc(c2(O))Cl)Cl~    4.760
54850-42-9 O=C(OCc1ccc(cc1)C)N~    1.760
54855-60-6 O=C1N=C(C=CN1)NCCSCc2[nH]cnc2C~   -0.400
54855-69-5 O=C1C=CC=C(N1)NCCSCc2[nH]cnc2C~    0.790
54855-70-8 O=C1C=CNC(=C1)NCCSCc2[nH]cnc2C~    0.800
54855-72-0 O=S2(=O)(N=C(NCCSCc1[nH]cnc1C)NCC2)~   -0.740
54855-84-4 O=C1N=C(NC=C1)NCCSCc2[nH]cnc2C~    0.020
54870-28-9 O=C(O)c1ccc(cc1)CCNC(=O)c2cc(ccc2(OC))Cl~    3.400
54910-89-3 FC(F)(F)c2ccc(OC(c1ccccc1)CCNC)cc2~    4.050
54922-62-2 O=C(NNC(C)C)COc1ccc(OC)cc1~    1.210
54922-63-3 O=C(NNC(C)C)C(Oc1ccc(cc1)Cl)(C)C~    2.560
54922-64-4 O=C(NNC(C)C)C(Oc1cccc(c1)C)C~    1.880
54922-65-5 O=C(NNCC)COc1ccc(cc1)Cl~    1.730
54922-68-8 O=C(NNCc1ccccc1)COc2ccc(cc2)Cl~    2.920
55040-03-4 c1ccc(cc1)C3(N2CCCCC2)(CCC(C)CC3)~    5.660
55049-18-8 O=C(O)CN1CCCCC1~   -1.050
55079-83-9 O=C(O)C=C(C=CC=C(C=Cc1c(cc(OC)c(c1C)C)C)C)C~    6.400
55084-16-7 O=C(OC(C)C)C(C(=O)OC(C)C)=C(SC)SC~    3.380
55147-64-3 O=C1OCC(=C1)C4C(OC(=O)C)CC5(O)(C6CCC3CC(OC2OC(C(=O)C(OC)C2)C)CCC3(C)C6(CCC45(C)))~    1.650
55219-65-3 OC(C(Oc1ccc(cc1)Cl)n2ncnc2)C(C)(C)C~    3.090
55236-14-1 O=C(NCCN(CC)CC)c1cc(F)ccc1(OC)~    2.620
55265-51-5 FC1C(C(C(C(C1Br)Cl)Cl)Cl)Cl~    3.280
55265-69-5 C1(C(C(C(C(C1Cl)Br)Cl)Br)Cl)Cl~    3.980
55268-75-2 O=C(O)C3=C(COC(=O)N)CSC2N3(C(=O)C2(NC(=O)C(=NOC)c1occc1))~   -0.160
55283-68-6 O=[N+]([O-])c1cc(cc(c1N(CC(=C)C)CC)[N+](=O)[O-])C(F)(F)F~    5.110
55290-64-7 O=S1(=O)(C(=C(C)S(=O)(=O)CC1)C)~   -0.170
55298-45-8 C1(C(C(C(C(C1Cl)Br)Br)Cl)Cl)Cl~    3.940
55321-98-7 O=C(N)c1c(cccc1C)C~    0.900
55344-28-0 c1ccc2c(c1)[nH]c3c2CC4N(C3)CCNC4~    0.360
55379-70-9 O=C(Oc1ccccc1C(C)CC)N(C)C~    3.310
55379-71-0 O=C(Oc1ccccc1)N2CCCC2~    2.730
55380-34-2 O=NN1CC(N(N=O)C(C)C1)C~    0.080
55469-64-2 O=S(=O)(N)c1ccc(N=NN(C)C)cc1~    1.060
55486-68-5 C1(=C(C)SSC1=S)CC~    2.940
55538-69-7 O(c1ccccc1)c2ccc(c(c2)Cl)Cl~    4.990
55556-85-9 O=NN1CCCC(O)C1~   -0.470
55556-88-2 O=NN1CC(N(N=O)CC1C)C~    0.150
55556-92-8 O=NN1CC=CCC1~    1.180
55556-94-0 O=NN1CCN(N=O)C(C)C1~   -0.280
55557-00-1 O=NN1CCN(N=O)CCC1~   -0.510
55653-03-7 N#CC(C#N)=NNc1ccccc1Cl~    3.120
55653-08-2 N#CC(C#N)=NNc1ccccc1C~    2.380
55653-13-9 N#CC(C#N)=NNc1ccccc1[N+](=O)[O-]~    2.900
55653-16-2 N#CC(C#N)=NNc1ccc(cc1)C(=O)C~    2.100
55685-55-7 O=C(c1ccc(cc1)[N+](=O)[O-])N(N)c2ccccc2~    2.480
55685-56-8 O=C(c1ccc(OC)cc1)N(N)c2ccccc2~    2.830
55687-40-6 O=C(OC)c1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N~    0.950
55687-46-2 O=C(OC(C)C)c1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N~    1.720
55687-49-5 OCc1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N~    0.420
55687-57-5 O=C(N)c1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N~   -0.850
55687-58-6 N#Cc1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N~    1.390
55687-72-4 O=C(c1c(OCC)cc(cc1(OCC))Cc2cnc(nc2(N))N)CS(=O)(=O)C~    0.790
55687-74-6 O=C(c1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N)CS(=O)(=O)C~   -0.310
55720-37-1 c1cc(cc2c1cc(cc2Cl)Cl)Cl~    5.350
55720-47-3 O=C(OCc1ccccc1)C(N)Cc2ccc(O)c(O)c2~    1.500
55750-53-3 O=C(O)CCCCCN1C(=O)C=CC1(=O)~    1.150
55752-22-2 n1oc(nc1c2ccc(cc2)C)C~    2.740
55782-76-8 O=CN(C1=C(N)NC(=O)N(C1(=O))C)C~   -2.030
55790-22-2 O=C(O)CNC(=O)c1ccc(cc1)I~    1.940
55792-16-0 O=C(OCCN1CCCCC1)Nc2ccccc2(OCCCCC)~    4.970
55792-18-2 O=C(OCCN1CCCCC1)Nc2ccccc2(OCCCCCC)~    5.290
55792-19-3 O=C(OCCN1CCCCC1)Nc2cccc(OCCCCCC)c2~    5.510
55792-20-6 O=C(OCCN1CCCCC1)Nc2ccc(OCCCCCC)cc2~    5.410
55792-21-7 O=C(OCCN1CCCCC1)Nc2ccccc2(OCCCCCCC)~    5.620
55792-22-8 O=C(OCCN1CCCCC1)Nc2cccc(OCCCCCCC)c2~    5.530
55792-23-9 O=C(OCCN1CCCCC1)Nc2ccc(OCCCCCCC)cc2~    5.870
55792-24-0 O=C(OCCN1CCCCC1)Nc2ccccc2(OCCCCCCCC)~    6.360
55792-25-1 O=C(OCCN1CCCCC1)Nc2cccc(OCCCCCCCC)c2~    5.820
55806-43-4 O=C2Nc1ccccc1N2C3CCN(CC3)CC(O)C4Oc5ccccc5(OC4)~    3.430
55837-21-3 OCCOCCOCCN3CCC(=C(c1ccccc1)c2ccccc2)CC3~    3.780
55837-23-5 Fc1ccc3c(c1)Sc2ccc(cc2C3CCCN4CCN(CCO)CC4)C(F)(F)F~    4.470
55837-27-9 O=C(O)c2cc(c(Oc1ccccc1)c(c2)S(=O)(=O)N)N3CCCC3~    3.920
55884-23-6 O=[N+]([O-])C=C(NC)NCCSCc1[nH]cnc1C~   -0.400
55948-94-2 O=C(OCCN1CCCCC1)Nc2ccc(OCCCCCCCC)cc2~    6.440
55994-21-3 O=C3c1ccccc1C(=O)C3(c2ccc(cc2)C(C)C)~    4.430
55994-22-4 O=C3c1ccccc1C(=O)C3(c2ccc(cc2)CCCCCCCC)~    6.930
55994-23-5 O=C3c1ccccc1C(=O)C3(c2cc(cc(c2)CC)CC)~    4.940
55994-24-6 O=C3c1ccccc1C(=O)C3(c2cc(cc(c2)C(C)C)C(C)C)~    5.960
56030-54-7 O=C(N(c1ccccc1)C3(COC)(CCN(CCc2cccs2)CC3))CC~    3.950
56046-08-3 O(C)C1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl~    3.330
56046-09-4 CSC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl~    3.800
56066-19-4 n1cc(c(nc1N)N)Cc2cc(OC)c(N)c(OC)c2~    0.830
56070-15-6 O=P(OCC)(OCC)SCS(=O)(=O)C(C)(C)C~    2.760
56070-16-7 O=S(=O)(CSP(OCC)(OCC)=S)C(C)(C)C~    2.480
56086-55-6 FC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl~    3.190
56165-57-2 O=S(CSP(=O)(OCC)OCC)C(C)(C)C~    2.660
56177-33-4 O=C(N)c1ccccc1C(C)C~    1.390
56189-70-9 O=C(NC(=N)N)Nc1ccc(c(c1)C)Cl~    2.190
56209-30-4 O=C1NC(=O)C2(C(=O)N1)(CCCC2)~    0.240
56245-60-4 OCC1OC(C(O)C(O)C1(O))SCC~   -1.510
56323-43-4 O=NN(C(=O)NC1CCCCC1(O))CCCl~    1.550
56344-90-2 O=C1NC(=O)C(C(=O)N1C)(CC)CCC~    1.650
56348-72-2 O(c1ccc(c(c1)Cl)Cl)c2ccc(c(c2)Cl)Cl~    6.360
56356-13-9 O=C(Oc1ccccc1C)c2ccc(N)cc2(O)~    3.140
56356-14-0 O=C(Oc1cccc(c1)C)c2ccc(N)cc2(O)~    3.640
56356-15-1 O=C(Oc1ccc(cc1)C)c2ccc(N)cc2(O)~    3.380
56356-16-2 O=C(Oc1c(cccc1C)C)c2ccc(N)cc2(O)~    3.880
56356-17-3 O=C(Oc1ccccc1(OC))c2ccc(N)cc2(O)~    2.880
56356-18-4 O=C(Oc1cccc(OC)c1)c2ccc(N)cc2(O)~    3.250
56356-19-5 O=C(Oc1ccc(cc1)C(C)C)c2ccc(N)cc2(O)~    4.120
56356-20-8 O=C(Oc1ccccc1C(C)C)c2ccc(N)cc2(O)~    4.280
56356-23-1 O=C(Oc1cccc(N)c1)c2ccc(N)cc2(O)~    2.080
56356-24-2 O=C(Oc1ccc(N)cc1)c2ccc(N)cc2(O)~    2.040
56356-25-3 O=C(Oc1ccccc1(F))c2ccc(N)cc2(O)~    3.290
56356-26-4 O=C(Oc1cccc(F)c1)c2ccc(N)cc2(O)~    3.420
56356-27-5 O=C(Oc1ccc(F)cc1)c2ccc(N)cc2(O)~    3.270
56356-28-6 O=C(Oc1ccccc1Cl)c2ccc(N)cc2(O)~    3.720
56356-29-7 O=C(Oc1cccc(c1)Cl)c2ccc(N)cc2(O)~    3.900
56356-30-0 O=C(Oc1ccc(cc1)Cl)c2ccc(N)cc2(O)~    3.600
56356-31-1 O=C(Oc1ccccc1Br)c2ccc(N)cc2(O)~    3.740
56356-32-2 O=C(Oc1cccc(c1)Br)c2ccc(N)cc2(O)~    3.840
56356-33-3 O=C(Oc1ccc(cc1)Br)c2ccc(N)cc2(O)~    3.460
56356-34-4 O=C(Oc1cccc(c1)C(F)(F)F)c2ccc(N)cc2(O)~    3.610
56400-11-4 FC(F)(F)COC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl~    4.150
56400-12-5 O(C)C1C(OC)C(C(C(C1Cl)Cl)Cl)Cl~    2.690
56400-36-3 O(C)C1C(C(C(OC)C(C1Cl)Cl)Cl)Cl~    3.150
56400-43-2 OCC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl~    2.940
56406-50-9 O=[N+]([O-])c1cccc(c1)C(=N)N~    0.720
56421-32-0 O(CC)C1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl~    3.830
56421-36-4 FC(F)(F)C1(OC)(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)~    4.060
56421-44-4 CC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl~    4.040
56421-45-5 CC1C(C(C(C)C(C1Cl)Cl)Cl)Cl~    4.400
56425-91-3 FC(F)(F)Oc1ccc(cc1)C(O)(c2cncnc2)C(C)C~    3.340
56462-00-1 c1cc(c(NC)c(c1)Cl)Cl~    2.910
56514-55-7 N(c1cc(ccc1Cl)Cl)=C2NCCN2~    2.040
56518-41-3 n1cc(c(nc1N)N)Cc2cc(OC)c(c(OC)c2)Br~    2.010
56518-58-2 n1cc(c(nc1N)N)Cc2cc(OC)c(c(OC)c2)I~    2.400
56534-03-3 C1(=C(C3(C(=C(C2CC1C3(C2Cl))Cl)Cl)Cl)Cl)Cl~    5.620
56563-17-8 O=C1NC(=O)N(C=C1(F))C(=O)Nc2ccccc2~    1.500
56563-18-9 O=C1NC(=O)N(C=C1(F))C(=O)NC~   -0.200
56610-79-8 n1nc(n(n1)C)SCc2ccccc2~    1.630
56656-96-3 N#CC(C#N)=Cc1oc(cc1)Br~    2.160
56656-97-4 N#CC(=Cc1oc(cc1)Br)C(=O)OC~    2.410
56689-42-0 O=CCC2CC(C(=O)C=CC(=CC(C)C(OC(=O)CC(O)C(C)C2(OC1OC(C)CC(N(C)C)C1(O)))CC)C)C~    2.490
56689-45-3 O=CCC3CC(C)C(O)C=CC=CCC(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~    2.390
56711-06-9 O=C(N)C(NC(=O)C)C(C)CC~   -0.030
56844-20-3 n2cnc1c(ccs1)c2NC~    1.430
56875-80-0 O=C3N(c1ccc(cc1C(c2ccccc2)=[N+]([O-])C3)Cl)CCO~    0.820
56875-82-2 O=C(OCCN3C(=O)C(N=C(c1ccccc1)c2cc(ccc23)Cl)OC(=O)C)C~    2.740
56933-31-4 O(C)C1CC(C(C(C1Cl)Cl)Cl)Cl~    2.990
56961-20-7 Oc1cc(c(c(c1(O))Cl)Cl)Cl~    3.710
56980-93-9 O=C(Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(=O)C)N(CC)CC~    1.920
56994-25-3 C1=CC(C(C(C1)Cl)Cl)Cl~    2.840
57018-04-9 O(c1c(cc(cc1Cl)C)Cl)P(OC)(OC)=S~    4.560
57025-76-0 O=C(OC)c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2Cl~    5.040
57078-98-5 O=C(O)CCCN1C(=O)C=CC1(=O)~    0.400
57079-00-2 O=C(O)CCCCCCCN1C(=O)C=CC1(=O)~    1.990
57117-31-4 o2c1cc(c(cc1c3cc(c(c(c23)Cl)Cl)Cl)Cl)Cl~    6.920
57117-37-0 o2c1cc(c(cc1c3cc(cc(c23)Cl)Cl)Cl)Cl~    6.730
57117-39-2 o2c1cc(c(cc1c3ccc(c(c23)Cl)Cl)Cl)Cl~    6.310
57237-97-5 O=S(c1nc2ccccc2([nH]1))Cc3ncccc3~    1.330
57315-37-4 n1nc(OC)c2ccccc2(c1OC)~    2.220
57334-38-0 Oc2ccc(OC)c1c2(nccc1C)~    2.750
57381-26-7 n1c(nc(nc1N)c2cc(ccc2Cl)Cl)N~    1.970
57381-35-8 Fc2ccc(cc2(c1nc(nc(n1)N)N))Cl~    1.810
57381-40-5 Fc1ccc(c(c1)c2nc(nc(n2)N)N)Br~    1.450
57381-42-7 n1c(nc(nc1N)c2cc(ccc2Br)Br)N~    2.090
57381-50-7 n1c(nc(nc1N)c2ccc(cc2Br)Cl)N~    2.090
57381-54-1 n1c(nc(nc1N)c2c(cccc2Cl)Cl)N~    1.380
57421-72-4 O=C(NN)NCCC~   -1.100
57421-73-5 O=C(NN)NCC=C~   -1.550
57440-16-1 O=C(OCCN(C(=O)C)C)c1ccccc1~    1.240
57524-89-7 O=C(OC3(C(=O)CO)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CCCC~    3.790
57541-73-8 O=NN1CCC(C(C1)Br)Br~    1.230
57553-99-8 O=S(=O)(c1cc(OC)c(OC)c(OC)c1)CC=C~    1.340
57554-05-9 O=S(=O)(c1cc(OC)c(OC)c(OC)c1)CCN2CCOCC2~    1.290
57562-99-9 O=C1NC(=O)C(C(=O)N1C)(CC)C(C)CCC~    2.450
57646-30-7 O=C(OC)C(N(C(=O)c1occc1)c2c(cccc2C)C)C~    2.610
57700-94-4 O=C(c1ccc(OC)cc1)N2CCCCC2~    2.400
57721-93-4 O(c1ccccc1(OCCOCCOC))CCOCCOC~    0.760
57721-95-6 O(c1ccccc1(OCCOCCOCCOC))CCOCCOCCOC~    0.380
57722-15-3 C1(=C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl~    4.330
57773-19-0 O=C1C(=CN=C2C=CC=C(N12)C)CC~    1.790
57775-29-8 OC(COc2cccc3[nH]c1ccccc1c23)CNC(C)C~    3.590
57837-19-1 O=C(OC)C(N(C(=O)COC)c1c(cccc1C)C)C~    1.680
57998-68-2 O=C(OCC)NC=1C(=O)C(=C(NC(=O)OCC)C(=O)C=1N2CC2)N3CC3~   -0.020
58171-47-4 FC(F)(F)CNCC~    0.740
58175-07-8 O=C2C(=O)N(c1ccccc1N2C)C~    0.080
58182-63-1 O=C(O)C(=C)CC(=O)c1ccc(cc1)c2ccccc2Cl~    3.320
58202-83-8 O=C(N)c1ccc(cc1)NC(=O)C~    0.010
58202-84-9 N#Cc1cccc(c1)NC(=O)C~    1.200
58247-23-7 O=C(NC(=N)N)Nc1ccc(OC)cc1~    0.560
58247-24-8 O=C(NC(=N)N)Nc1ccc(cc1)Cl~    1.780
58247-25-9 N#Cc1ccc(cc1(OC))NC(=O)NC(=N)N~    1.280
58283-42-4 c1ccc(cc1)C3(N2CCCCC2)(CCCC(C)C3)~    5.860
58479-86-0 O=C(Nc1ccc(cc1)Br)CN2CCCCC2~    3.570
58479-87-1 O=C(Nc1ccc(cc1)I)CN2CCCCC2~    3.900
58479-88-2 O=C(Nc1ccccc1(F))CN2CCCCC2~    2.160
58479-89-3 O=C(Nc1ccccc1Br)CN2CCCCC2~    2.940
58479-90-6 O=C(Nc1cccc(F)c1)CN2CCCCC2~    2.850
58479-91-7 O=C(Nc1cccc(c1)I)CN2CCCCC2~    3.920
58479-93-9 O=C(Nc1ccc(OC)cc1)CN2CCCCC2~    2.520
58481-01-9 O=C(NN)c1ccnc(N)c1~   -0.980
58481-02-0 O=C(NN)c1ccnc(c1)NC(=O)C~   -1.250
58481-03-1 O=C(NN)c1ccnc(c1)CNC(=O)C~   -1.580
58481-04-2 O=C(NN)c1ccnc(c1)Cl~    0.110
58481-05-3 O=C(NN)c1ccnc(c1)[N+](=O)[O-]~   -0.760
58481-07-5 O=C(NN)c1ccnc(c1)Cc2ccccc2~    1.010
58484-10-9 O=NN(C(=O)NC1OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1(OC(=O)C))CCCl~    1.040
58667-63-3 O=C(O)C(N(C(=O)c1ccccc1)c2ccc(F)c(c2)Cl)C~    2.900
58708-45-5 O=C(NC(C)C)c1cc(cc(c1(O))C)Br~    4.190
58708-46-6 O=C(NC1CC1)c2cc(cc(c2(O))C)Br~    3.800
58708-52-4 O=C(NCC)c1cc(cc(c1(O))C)Cl~    3.550
58714-54-8 O=C2N(c1cccc(c1)Br)C(=O)CC2~    1.090
58734-57-9 O=S(=O)(N)c1cccc(OC)c1~    0.530
58802-20-3 o2c1ccc(c(c1c3cc(c(cc23)Cl)Cl)Cl)Cl~    6.230
58810-48-3 O=C1OCCC1N(C(=O)CCl)c2c(cccc2C)C~    1.390
58845-59-3 O=NN(C(=O)NC1OCC(OC(=O)C)C(OC(=O)C)C1(OC(=O)C))CCCl~    1.050
58907-81-6 O=C2c3ccccc3(C(=O)C(NC(=O)C)=C2(Nc1ccccc1))~    1.730
59040-30-1 O=C1N(N=C(C)C1)CCOc2ccc3ccccc3(c2)~    2.740
59082-52-9 n1ccc(cc1)CCCCCN~    1.400
59082-57-4 n1ccccc1CCCCCN~    1.320
59094-50-7 O=C1C=C(NCCCC)C(=O)c2ccccc12~    3.110
59170-23-9 OC(COc1cccc(c1)C)CNCCc2ccc(OC)c(OC)c2~    3.000
59177-47-8 O=[N+]([O-])c1c(ncn1C)Br~    0.770
59277-86-0 OCCOCn2cnc1c(nc(nc12)N)N~   -1.060
59280-70-5 O=C(Nc1ccc(cc1(F))Cl)C~    1.910
59303-10-5 n1cc(ncc1C)Cl~    1.080
59303-19-4 O=C(OCCC)c1cccs1~    3.010
59359-46-5 O=C(Nc1c(cccc1C)C)C(N)CC~    0.840
59365-60-5 OCC(O)c1ccccc1Cl~    1.170
59414-37-8 O=NN(C(=O)NC1CCCCC1(OC(=O)C))CCCl~    1.960
59465-40-6 N(c1cc(c(cc1Cl)Cl)Cl)=C2NCCN2~    2.110
59465-51-9 N(=C1NCCN1)c2c(cc(cc2Cl)Cl)Cl~    2.180
59481-28-6 n1cc(c(nc1N)N)Cc2cccc(OC)c2~    1.540
59521-86-7 O=C(O)C3=C(COC(=O)C)CSC2N3(C(=O)C2(NC(=O)CSc1cc(ccc1Cl)Cl))~    1.660
59660-23-0 O=[N+]([O-])N=C(NC)NCCSCc1[nH]cnc1C~    0.180
59669-26-0 O=C(ON=C(C)SC)N(C)SN(C(=O)ON=C(C)SC)C~    1.700
59708-19-9 O=C(N)c1ccc(N=NN(C)CC)cc1~    1.690
59708-21-3 O=C(N)c1ccc(N=NN(C)CCCC)cc1~    2.460
59708-22-4 O=C(N)c1ccc(N=NN(C)CCCCC)cc1~    3.180
59708-23-5 O=C(N)c1ccc(N=NN(C)C(C)C)cc1~    2.020
59708-24-6 O=C(N)c2ccc(N=NN(C)Cc1ccccc1)cc2~    2.760
59708-25-7 O=C(N)c1ccc(N=NN(C)C(C)(C)C)cc1~    2.610
59729-37-2 O=[N+]([O-])c1cnc(n1C)COc2ccc(cc2)SC~    2.500
59756-60-4 O=C1C(=CN(C=C1c2cccc(c2)C(F)(F)F)C)c3ccccc3~    3.160
59772-37-1 Fc2cccc(c2(N=C1NCCN1))Cl~    1.450
59777-58-1 O=C(OCCC)c1ccc(cc1)S(=O)(=O)N~    1.750
59777-59-2 O=C(OCCCC)c1ccc(cc1)S(=O)(=O)N~    2.340
59777-60-5 O=C(OCCCCC)c1ccc(cc1)S(=O)(=O)N~    2.710
59777-62-7 O=C(NCC)c1ccc(cc1)S(=O)(=O)N~    0.030
59777-63-8 O=C(NCCCC)c1ccc(cc1)S(=O)(=O)N~    1.050
59777-64-9 O=C(NCCCCC)c1ccc(cc1)S(=O)(=O)N~    1.510
59831-65-1 O=C(NCCN3CCC(N2C(=O)Nc1cc(ccc12)Cl)CC3)c4ccc(F)cc4~    4.630
59857-86-2 O=C(OC)C1CC(=O)N(C)C1~   -0.740
59886-40-7 O=C1C(=C(C(=O)C(=C1N2CCN(CCO)CC2)N3CC3)N4CCN(CCO)CC4)N5CC5~   -0.770
59886-55-4 O=C1C(NCC(O)CO)=C(C(=O)C(NCC(O)CO)=C1N2CC2)N3CC3~   -1.970
59887-89-7 O=C1C=COc2cc(O)ccc12~    1.440
59906-37-5 O=C(c1ccsc1)N(C)C~    0.550
59907-22-1 O=C(Nc1c(cccc1C)[N+](=O)[O-])C~    0.610
59917-58-7 O=C(NCN(C)C)c1ccccc1~    0.630
59937-28-9 O=C(OC(C)C)C(C(=O)OC(C)C)=C1SC=CS1~    3.750
60003-46-5 O=C(O)Cc1ccc(OCCCCCC)cc1~    3.960
60050-38-6 O=C2N(c1cccc(c1)C(F)(F)F)C(=O)CC2~    1.260
60067-82-5 O(C)C1C(OC)C(C(C(C1(OC))Cl)Cl)Cl~    1.870
60067-85-8 O(C)C1C(C(C(C(C1SC)Cl)Cl)Cl)Cl~    3.300
60067-92-7 C1C(C(CC(C1Cl)Cl)Cl)Cl~    2.820
60084-10-8 O=C(N)c2nc(C1OC(CO)C(O)C1(O))sc2~   -1.730
60123-65-1 O(c1ccc(c(c1)Cl)Cl)c2cc(c(cc2Cl)Cl)Cl~    6.600
60142-00-9 [N-]=[N+]=CC(=O)NCC(=O)N1CCOCC1~   -0.470
60142-96-3 O=C(O)CC1(CN)(CCCCC1)~   -1.100
60145-76-8 O=C(OCC)CN(C(=O)CCl)c1ccccc1CC~    2.570
60145-77-9 O=C(OCC)CN(C(=O)CCl)c2ccccc2(c1ccccc1)~    3.370
60145-78-0 O=C(OCC)CN(C(=O)CCl)c1ccccc1(OC)~    1.780
60165-07-3 O=C(NO)NC(C)C~    0.200
60166-93-0 O=C(NC(CO)CO)c1c(c(NC(=O)C(O)C)c(c(C(=O)NC(CO)CO)c1I)I)I~   -2.420
60168-88-9 OC(c1cncnc1)(c2ccc(cc2)Cl)c3ccccc3Cl~    3.600
60174-20-1 O=[N+]([O-])c1cnc(n1CC(O)COC)C~    0.040
60207-93-4 n1cnn(c1)CC2(OCC(O2)CC)c3ccc(cc3Cl)Cl~    3.100
60221-92-3 N=C(Nc1ccc(cc1)Cl)NC(=N)NC~    1.580
60331-52-4 OCC3OC(Oc2cc(OC1OC(CO)C(O)C(O)C1(O))c(cc2I)I)C(O)C(O)C3(O)~   -0.250
60400-92-2 O=C(O)C=1Oc2c(C(=O)C=1)c(O)c3c(c2CCC)CCCC3~    5.000
60404-04-8 O=C(OCC)C=1C(=O)C(OC=1C)=Cc2ccc(OC)cc2~    2.960
60423-87-2 O=C(OC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)C~    3.400
60628-92-4 O=[N+]([O-])c1ncc(n1C)C(O)(C)C~    0.430
60628-96-8 n1ccn(c1)C(c2ccccc2)c3ccc(cc3)c4ccccc4~    4.770
60643-86-9 O=C(O)CCC(N)C=C~   -2.160
60693-35-8 O=C2N(c1cccc(F)c1)C(=O)CC2~    0.380
60693-37-0 O=C2N(c1ccc(F)cc1)C(=O)CC2~    0.290
60753-14-2 OCCCCc1cnccc1~    0.920
60784-43-2 O=NN(C(=O)NCCCCNC(=O)N(N=O)CCCl)CCCl~    0.900
60784-46-5 O=NN(C(=O)NCCO)CCCl~    0.300
60784-70-5 O=C1NC(=O)C(C(=O)N1)(CC)CCCCCCC~    2.910
60828-33-3 O=C(N)C(NC(=O)C)C(O)C~   -1.570
60835-75-8 O=C(O)c1ccc2OCCOCCOCCOCCOCCOc2(c1)~   -0.280
60980-82-7 c1cc(cc(c1)Cl)C2NCCS2~    2.040
61019-78-1 N#CC(c1ccccc1)(Cn2cncc2)CCCC~    2.940
61137-49-3 O=NN(C(=O)NC1CCC(COC(=O)C)CC1)CCCl~    2.240
61151-66-4 O1CCN(CC1c2cccc(c2)Cl)C(C)C~    3.270
61192-50-5 O=C2N(C)C(O)(c1cnccc1)CC2~   -0.570
61213-25-0 O=C2N(c1cccc(c1)C(F)(F)F)CC(CCl)C2Cl~    3.360
61224-32-6 OCc1ccc(N)cc1~   -0.220
61257-02-1 O=CCC2CC(C(=O)C=CC(=CC(CO)C(OC(=O)CC(O)C(C)C2(OC1OC(C)C(O)C(N(C)C)C1(O)))CC)C)C~    0.990
61328-44-7 O(c1ccc(c(c1)Cl)Cl)c2ccccc2Cl~    5.500
61346-84-7 O=C1NC(=O)C(C(=O)N1C)(CC=C)CC~    1.350
61346-87-0 O=C1NC(=O)C(C(=O)N1C)(CC)C(c2ccccc2)C~    3.140
61367-70-2 O(c1cc(cc(OC)c1(OC(C)C))CCN)C~    1.520
61380-40-3 O=C(OC)C3(N(c1ccccc1)C(=O)CC)(CCN(CCc2ccccc2)CC3(C))~    4.220
61405-48-9 O=C(OC)c1cc(ccc1[N+](=O)[O-])Sc2ccc(cc2Cl)C(F)(F)F~    4.760
61422-45-5 O=C1NC(=O)N(C=C1(F))C(=O)NCCCCCC~    2.630
61444-95-9 ON=Cc1nnc(C)s1~    0.780
61444-96-0 ON=Cc1nc(ns1)C~    1.290
61477-96-1 O=C(O)C4N3C(=O)C(NC(=O)C(NC(=O)N1C(=O)C(=O)N(CC)CC1)c2ccccc2)C3SC4(C)(C)~    0.500
61477-97-2 N1=C(N(CC1)C(C)C)CN3c2cc(ccc2SCCCC3)Cl~    5.150
61544-20-5 n1cc(c(nc1N)N)Cc2cc(c(c(c2)N(C)C)C)N(C)C~    2.060
61544-21-6 O=C(N(c1cc(cc(c1(OC))N(C)C)Cc2cnc(nc2(N))N)C)C~    1.010
61544-27-2 n1cc(c(nc1N)N)Cc2cc(cc(c2)NC)NC~    0.440
61544-28-3 O=C(N(c1cc(cc(NC)c1C)Cc2cnc(nc2(N))N)C)C~    0.530
61554-12-9 O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2))[N+](=O)[O-])CC(O)CO~    0.960
61566-63-0 O=C(O)c1ccc(N)cc1(OCCCCC)~    2.380
61566-64-1 O=C(O)c1ccc(N)cc1(OCCC(C)C)~    2.300
61597-27-1 Oc1cc(cc2OC(C)(C)C3CC=C(C)CC3(c12))C(C)(C)CCCCCC~    9.960
61601-23-8 O=C(Oc1c(OC)c(OC)c(OC(=O)C)c2ccccc12)C~    2.390
61638-09-3 O(c1cc(c(OC)cc1CCN)SC)C~    1.810
61655-72-9 n1cc(nc(c1)Cl)N(C)C~    1.950
61782-00-1 O=C(OCCCCC)C(C(=O)OCCCCC)=C1SCCS1~    5.600
61798-70-7 c2cc(c1c(cc(c(c1Cl)Cl)Cl)Cl)c(c(c2)Cl)Cl~    7.250
61820-94-8 O=C(c1ccc(cc1)Cl)CS(=O)(=O)c2ccc(cc2)C~    3.430
61820-95-9 O=C(c1ccc(cc1)C)CS(=O)(=O)c2ccc(cc2)C~    3.300
61887-92-1 n1c(csc1CCN)c2ccccc2~    2.220
62008-55-3 Fc1cccc(c1)C2OCCNC2~    1.420
62008-56-4 O1CCNCC1c2cccc(c2)C~    1.520
62036-62-8 O=C1C=NN=C(N1(N))SC~    0.380
62100-54-3 O=C(Nc1ccc(cc1)[N+](=O)[O-])C(O)(C)C~    1.610
62163-09-1 n1ccnc2c1cccc2Cl~    1.750
62171-37-3 Cl[Sn]Cl~   -2.470
62174-83-8 n1ccc(cc1)CCCCN~    0.860
62178-32-9 OCC1OC(OCCC)C(O)C(O)C1(O)~   -1.660
62251-74-5 O=C(NNC(C)C)COc1ccccc1(OC)~    1.110
62484-15-5 O=C1NC(=O)c2ccc(cc2(N1))C~    0.550
62571-86-2 O=C(O)C1N(C(=O)C(C)CS)CCC1~    0.340
62580-80-7 O=[N+]([O-])c1cnc(n1CC(O)CO)C~   -0.590
62774-59-8 O=C(NN)Nc1ccc(OC)cc1~    0.170
62783-49-7 O=NN(C)Cc1cccc(c1)C~    1.960
62783-50-0 O=NN(C)Cc1ccc(cc1)C~    2.140
62850-32-2 O=C(N(C)C)SCCCCOc1ccccc1~    3.280
62924-70-3 O=[N+]([O-])c1cc(cc(c1N(Cc2c(F)cccc2Cl)CC)[N+](=O)[O-])C(F)(F)F~    5.450
63020-20-2 O=C(Nc1ccc3c(c1)[nH]c2ccccc23)C~    3.020
63075-06-9 O=C(OCCCCC)Nc1ccccc1~    3.800
63144-76-3 O1c2ccccc2(OCCOCCOCCOCCOCCOCCOCCOCC1)~    0.230
63224-18-0 O=C(NCCN(C)C)c1ccccc1~    1.100
63346-72-5 N(=C1NCCN1)c2ccc(cc2(OC))C~    1.640
63346-73-6 N(c1ccc(cc1)Br)=C2NCCN2~    1.750
63407-51-2 OCC1OC(C(O)C(O)C1(O))SCCC~   -1.180
63407-52-3 OCC1OC(C(O)C(O)C1(O))SCCCC~   -0.540
63407-53-4 OCC1OC(C(O)C(O)C1(O))SCc2ccccc2~   -0.470
63407-54-5 OCC1OC(C(O)C(O)C1(O))SCCc2ccccc2~   -0.100
63472-04-8 O=C(O)C(C)CC(=O)c1ccc(cc1)c2ccccc2~    3.400
63474-05-5 OC(COCc1ccccc1)CNC(C)(C)C~    1.700
63491-77-0 O=C(NO)NC(C)(C)C~    0.500
63553-30-0 O(c1ccc(cc1)Cl)c2c(cc(cc2Cl)Cl)Cl~    5.920
63574-83-4 O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2Br))Cl~    3.170
63634-21-9 O=[N+]([O-])c1nc(n(c1)C)Cl~    0.190
63646-51-5 O(c1ccc(cc1)Cl)c2ccc(c(c2)Cl)Cl~    5.880
63655-40-3 N#Cc1ccc2[nH]c(nc2(c1))N~    1.130
63729-98-6 O=C(OC)C(N(C(=O)c1ccccc1)c2ccc(F)c(c2)Cl)C~    3.000
63782-90-1 O=C(OC(C)C)C(N(C(=O)c1ccccc1)c2ccc(F)c(c2)Cl)C~    3.690
63837-33-2 O(c1ccccc1)c3ccc(OCC2OC(OC2)CC)cc3~    4.350
63893-52-7 n2cnc1c(ccs1)c2N(C)C~    1.820
63968-64-9 O=C4OC1OC2(OOC13(C(CCC(C)C3(CC2))C4C))(C)~    2.900
64028-99-5 O=C(ON=C(C)SC)N(C)SN(C(=O)OCC)C~    1.900
64029-01-2 O=C(ON=C(C)SC)N(C)SN(C(=O)OC(C)(C)C)C~    2.800
64055-10-3 O=C(ON=C(C)SC)N(C)SN(C(=O)OC)C~    1.400
64098-82-4 O=C1NC(=O)N(C=C1(F))C(=O)NCCCC~    1.440
64098-85-7 O=C1NC(=O)N(C=C1(F))C(=O)NCCCCCCCC~    3.900
64124-14-7 ON(c1nc(nc(n1)N(C)C)N(C)C)C~    1.610
64124-20-5 n1c(nc(nc1N(C)CC)N(C)CC)N(C)CC~    3.900
64124-21-6 OCN(c1nc(nc(n1)N(C)CO)N(C)CO)C~    0.400
64249-01-0 O=C(N(c1ccc(cc1)Cl)C(C)C)CSP(OC)(OC)=S~    3.810
64253-39-0 N#CSO~    0.320
64272-13-5 O=C2C=C3C(F)CC1C4CC(C)C(O)(C(=O)COC(=O)C(C)(C)C)C4(C)(CC(O)C1(C3(C=C2Cl)C)Cl)~    4.730
64272-18-0 O=C(OC3(C(=O)CO)(C(C)CC2C4CC(F)C1=CC(=O)C(=CC1(C)C4(F)(C(O)CC23(C)))Cl))CC~    2.990
64312-78-3 O=C(OCc1ccccc1)C2C(C=C(C)C)C2(C)(C)~    5.490
64360-42-5 O=C(O)Cc2ccc(OCc1ccccc1)c(c2)C~    3.370
64399-29-7 O=C(N)C1=CN(C2=CCCC(N2(C1(=O)))C)C~    0.120
64405-35-2 O=C(OCC)C1=CN=C2N(C1(=O))CC(C)CC2~    0.710
64431-77-2 O=C(N)c1c(OC)cccc1[N+](=O)[O-]~   -0.260
64462-06-2 N#CN=[N+]([O-])c1cccc(c1)C~    2.490
64544-07-6 O=C(OCC3=C(C(=O)OC(OC(=O)C)C)N2C(=O)C(NC(=O)C(=NOC)c1occc1)C2SC3)N~    0.890
64628-44-0 O=C(NC(=O)c1ccccc1Cl)Nc2ccc(OC(F)(F)F)cc2~    4.910
64638-09-1 O(c1cc(c(OC)cc1CCCC)CC(N)C)C~    4.000
64638-10-4 O(c1cc(c(OC)cc1CCCCC)CC(N)C)C~    4.430
64649-43-0 O=C(OCC(=O)N)c1ccccc1~    0.690
64649-57-6 O=C(OCC(=O)NCC)c1ccccc1~    1.280
64674-86-8 O=C(OCC)C=C2NC(=O)C(N1CCCCC1)S2~    2.340
64691-86-7 N#CC(C#N)=NNc1ccc(cc1C)[N+](=O)[O-]~    3.550
64691-87-8 N#CC(C#N)=NNc1ccc(cc1[N+](=O)[O-])C~    2.500
64694-85-5 O=C(Nc1ccc(c(c1)Cl)Cl)C(F)(F)F~    3.900
64778-75-2 O(c1cc(cc(OC)c1(OCCCC))CCN)C~    2.320
64810-90-8 O=C1NC(=O)C(C(=O)N1)(CC)CCCCCCCC~    3.780
64810-91-9 O=C1NC(=O)C(C(=O)N1)(CC)CCCCCCCCC~    4.000
64843-83-0 O=C(OCCOCn2cnc1C(=O)NC(=Nc12)N)CCC~   -0.080
64902-72-3 O=C(Nc1nc(nc(n1)C)OC)NS(=O)(=O)c2ccccc2Cl~    2.000
64980-40-1 OC(COc1ccccc1)CNC(C)(C)C~    1.500
65016-46-8 N#Cc1cc(C(=O)NCCN(CC)CC)c(OC)cc1(N)~    1.940
65052-47-3 FC(F)(F)Sc1cccc(c1)c2nc(nc(n2)N)N~    3.200
65052-49-5 n1c(nc(nc1N)c2cccc(c2)SC)N~    2.160
65052-53-1 FC(F)(F)c1ccc(c(c1)c2nc(nc(n2)N)N)Cl~    2.270
65052-55-3 n1c(nc(nc1N)c2cc(ccc2(OC))Br)N~    1.530
65075-00-5 O(c1ccc(cc1)Cl)c2cc(ccc2Cl)Cl~    5.660
65075-01-6 O(c1ccc(cc1)Cl)c2ccc(c(c2Cl)Cl)Cl~    6.140
65075-02-7 O(c1ccc(c(c1Cl)Cl)Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl~    7.840
65101-39-5 O=C(NC23(CC1CC(CC(C1)C2)C3))NP(=O)(N4CC4)N5CC5~    1.810
65118-48-1 O=C(N)C(NC(=O)C(NC(=O)C)Cc1ccccc1)C(C)C~    0.430
65118-51-6 O=C(N)C(NC(=O)CNC(=O)C(NC(=O)C)Cc1ccccc1)CC(C)C~    0.600
65225-84-5 O=C(NC)c1nonc1C~    0.560
65243-35-8 O=C(OCOC(=O)C(C)(C)C)C4=C(CSc1nnnn1C)CSC3N4(C(=O)C3(NC(=O)C(=NOC)c2nc(N)sc2))~    1.740
65243-53-0 O=C(OCOC(=O)C(C)(C)C)C3=C(COC(=O)C)CSC2N3(C(=O)C2(NC(=O)C(=NOC)c1nc(N)sc1))~    2.620
65247-12-3 O=C1Nc3ccc(cc3(C(=NC1)c2ccc(cc2)Br))Br~    4.040
65247-13-4 O=C1Nc3ccc(cc3(C(=NC1)c2cccc(c2)Cl))Br~    3.630
65261-51-0 O=C(NC(C)C)c2cccc(Oc1cc(ccc1C)C)c2~    4.350
65261-99-6 O=C(NC(C)(C)C)c2cccc(Oc1cc(ccc1C)C)c2~    4.780
65300-53-0 O=[N+]([O-])c2ccc(OCCN1CCOCC1)cc2~    1.540
65329-13-7 O=C1NC(=O)C(C(=O)N1C)(C2=CCCCCC2)CC~    2.820
65347-84-4 O=C(OCCN1CCOCC1)Nc2ccccc2(OCCC)~    2.780
65347-85-5 O=C(OCCN1CCOCC1)Nc2ccccc2(OCCCC)~    3.250
65347-86-6 O=C(OCCN1CCOCC1)Nc2ccccc2(OCCCCC)~    3.700
65347-87-7 O=C(OCCN1CCOCC1)Nc2ccccc2(OCCCCCC)~    4.240
65347-88-8 O=C(OCCN1CCOCC1)Nc2ccccc2(OCCCCCCC)~    4.510
65347-90-2 O=C(OCCN1CCOCC1)Nc2cccc(OCCC)c2~    3.040
65347-91-3 O=C(OCCN1CCOCC1)Nc2cccc(OCCCC)c2~    3.620
65347-92-4 O=C(OCCN1CCOCC1)Nc2cccc(OCCCCC)c2~    4.130
65347-93-5 O=C(OCCN1CCOCC1)Nc2cccc(OCCCCCC)c2~    4.730
65347-94-6 O=C(OCCN1CCOCC1)Nc2cccc(OCCCCCCC)c2~    5.280
65347-96-8 O=C(OCCN1CCOCC1)Nc2ccc(OCCC)cc2~    2.780
65347-97-9 O=C(OCCN1CCOCC1)Nc2ccc(OCCCC)cc2~    3.350
65347-98-0 O=C(OCCN1CCOCC1)Nc2ccc(OCCCCCC)cc2~    4.510
65347-99-1 O=C(OCCN1CCOCC1)Nc2ccc(OCCCCCCC)cc2~    4.960
65348-00-7 O=C(OCCN1CCOCC1)Nc2ccc(OCCCCCCCC)cc2~    4.800
65356-76-5 O=C(N)C(NC(=O)C(NC(=O)C)Cc1ccc(O)cc1)CC(C)C~    0.320
65374-46-1 O=C(OCCN1CCOCC1)Nc2ccc(OCCCCC)cc2~    3.960
65445-59-2 O=NN1CC(C)CC(C)C1~    1.530
65446-98-2 O=C(Nc1ccc(cc1)CC)CN2CCCCC2~    3.520
65448-74-0 N#Cc1cccc(c1)NC(=O)OC~    1.770
65466-50-4 O=C3C=C4C(F)CC2C5CC1OC(OC1(C(=O)CO)C5(C)(CC(O)C2(F)C4(C=C3Cl)C))(C)C~    2.990
65510-45-4 c1cc(cc(c1c2ccc(c(c2Cl)Cl)Cl)Cl)Cl~    6.610
65542-14-5 O=C(O)c2ccc(N=NN(C)Cc1ccc(cc1)Cl)cc2~    4.850
65542-15-6 O=C(O)c2ccc(N=NN(C)Cc1ccc(cc1)[N+](=O)[O-])cc2~    4.030
65542-16-7 N#Cc1ccc(cc1)CN(N=Nc2ccc(cc2)C(=O)O)C~    3.600
65542-17-8 O=C(O)c2ccc(N=NN(C)Cc1ccc(cc1)C)cc2~    4.750
65542-18-9 O=C(O)c2ccc(N=NN(C)Cc1ccc(OC)cc1)cc2~    4.430
65542-19-0 O=C(O)c2ccc(N=NN(C)Cc1ccc(cc1)NC(=O)C)cc2~    3.350
65542-21-4 N#Cc2ccc(N=NN(C)Cc1ccccc1)cc2~    3.820
65570-49-2 O=C(Nc1cccc(OCC)c1)CN2CCCCC2~    3.170
65587-38-4 O=C(O)c2ccc(N=NN(C)Cc1ccccc1)cc2~    4.040
65611-47-4 FC(F)(F)CCCCCO~    1.640
65754-05-4 O=C1C=CN=C2N1CCCC2~   -0.140
65783-69-9 O=C(OCC(=O)N(CC)CC)c1ccccc1(O)~    1.990
65873-69-0 n1cc(c(nc1N)N)Cc2ccc(nc2(OC))OC~    2.010
65886-71-7 O=C1N=C(N=CN1C2OC(CO)C(O)C2(O))N~   -2.170
65902-59-2 O=[N+]([O-])c1nc([nH]c1)Br~    0.710
65907-26-8 O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)OC)C~    3.000
65907-27-9 O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)OCC)C~    3.500
65907-30-4 O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)OCCCC)C~    4.700
65907-54-2 O=C(ON=C(C(=O)N(C)C)SC)N(C)SN(C(=O)OC)C~   -0.070
65936-24-5 N(=C1NCCN1)c2c(cc(OC)cc2Cl)Cl~    1.600
65936-25-6 N(=C1NCCN1)c2c(cccc2Br)Cl~    1.730
65936-26-7 O=[N+]([O-])c2cc(c(N=C1NCCN1)c(c2)Cl)Cl~    2.100
65988-94-5 O=[N+]([O-])c1nccn1CC(O)COCC~    0.040
66073-53-8 O=C(N)c1c(cccc1Br)Cl~    1.000
66073-54-9 O=C(N)c1c(F)cccc1Cl~    0.490
66079-85-4 n1nc(oc1c2ncccc2)C~    0.460
66108-93-8 O=C(NCC(O)CO)c1c(c(C(=O)NCC(O)CO)c(c(c1I)N(C(=O)C)CCO)I)I~   -2.470
66108-95-0 O=C(NCC(O)CO)c1c(c(C(=O)NCC(O)CO)c(c(c1I)N(C(=O)C)CC(O)CO)I)I~   -3.050
66283-26-9 O=C1N(C(=O)CCCCCCCCCCC)CCC1~    5.050
66308-18-7 O=C(OC)NC2=NCC(c1ccccc1)N2C~    1.570
66308-28-9 O=C(OC)NC2=NCC(c1ccc(cc1)Cl)N2C~    2.170
66308-35-8 O=C(OCC)NC2=NCC(c1cccc(c1C)C)N2C~    2.570
66323-44-2 [N-]=[N+]=NC1CC(OC1(CO))n3cnc2c(ncnc23)N~    0.350
66332-96-5 O=C(Nc1cccc(OC(C)C)c1)c2ccccc2C(F)(F)F~    3.700
66346-83-6 O=C(N)c1nnc(cc1)Cl~    0.000
66357-35-5 O=[N+]([O-])C=C(NC)NCCSCc1oc(cc1)CN(C)C~    0.270
66381-49-5 O=C(ON=C(C)SC)N(C)SN(C(=O)OCCCCCC)C~    4.200
66381-51-9 O=C(ON=C(C)SC)N(C)SN(C(=O)OCCCC)CCCC~    4.200
66381-55-3 O=C(ON=C(C)SC)N(C)SN(C(=O)OC)CCCC~    2.500
66432-03-9 O=CNC=Cc1ccccc1~    1.950
66451-06-7 OC(COc1ccccc1C3CC2CCC3(C2))CNC(C)C~    4.170
66469-80-5 O=C(ON=C(C)SC)N(C)SN(C(=O)C1CC1)C~    1.700
66480-65-7 n1c3ccccc3(nn1C2CCCCC2)~    3.630
66521-48-0 O=C(N)Nc1ccc(N=NN(C)C)cc1~    1.250
66521-49-1 O=C(N)c1ccc(N=NN(C)CCCCCCCC)cc1~    4.700
66536-69-4 n1c3ccccc3(nn1C2CCCC2)~    3.040
66536-70-7 n1nn(c2ccccc12)C3CCCCC3~    3.110
66635-84-5 O=C(c1ccccc1C)c2ccc3n2CCC3(C(=O)O)~    2.900
66635-90-3 O=C(O)C3c2ccc(C(=O)c1ccc(F)cc1)n2CC3~    2.820
66644-81-3 O=C(NCC1N(CC=C)CCC1)c2cc(cc(OC)c2(OC))S(=O)(=O)N~    1.470
66675-75-0 O=C(Nc1c(cccc1C)C)CCN~    0.620
66706-98-7 N#CC(C#N)=NNc2ccc(N=Nc1ccccc1)cc2~    4.250
66722-44-9 OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C~    1.870
66794-60-3 O(c1cccc(c1)Cl)c2ccc(c(c2)Cl)Cl~    5.740
66895-70-3 O=C(Oc1cccc(c1)C)CNC(=O)c2ccccc2~    2.720
66974-58-1 N(=NN(C)C)c1ccccc1I~    3.500
66974-61-6 OCc1ccccc1(N=NN(C)C)~    1.730
66974-73-0 O=C(N)c1ccc(N=NN(C)CC=C)cc1~    2.090
66974-76-3 O=C(N)c1ccc(N=NN(OC)C)cc1~    1.190
66974-78-5 O=C(N)c1ccc(OC)c(N=NN(C)C)c1~    0.440
66974-82-1 N#Cc1cc(C#N)cc(N=NN(C)C)c1~    2.180
66974-88-7 O=C(NC)c1ccccc1(N=NN(C)C)~    1.830
66974-90-1 N#CCNC(=O)c1ccccc1(N=NN(C)C)~    1.790
66975-11-9 O=C(N(N=Nc1ccc(cc1)C)C)C~    3.230
66975-13-1 O=C(NN)c1ccccc1(N=NN(C)C)~    1.280
66999-80-2 O=C(NCCCN(CC)CC)c1ccccc1~    1.560
66999-98-2 O=C(OCc1ccccc1)N2C=C(F)C(=O)NC2(=O)~    1.180
66999-99-3 O=C(OCCCCCC)N1C=C(F)C(=O)NC1(=O)~    2.040
67003-50-3 O=C(O)c1ccc(cc1)COC~    1.760
67023-19-2 O=C(N(c1c(cccc1C)C)CCCN2CCCCC2)Cc3ccccc3~    5.280
67028-19-7 O1c3cccc(c3(Oc2c1c(c(c(c2Cl)Cl)Cl)Cl))Cl~    6.300
67051-26-7 O=C1NC(=O)C(C(=O)N1)(CC=C(C)C)C(C)C~    2.230
67075-62-1 N#CC=Cc1oc(cc1)[N+](=O)[O-]~    1.050
67129-08-2 O=C(N(c1c(cccc1C)C)Cn2nccc2)CCl~    2.130
67309-36-8 NC(Cc1ccccc1)CCCC~    3.360
67309-37-9 NC(Cc1ccccc1)C(C)(C)C~    2.910
67410-45-1 N#CC(=NOP(=O)(OCC)N(C)C)c1ccccc1~    3.290
67410-46-2 N#CC(=NOP(=O)(OCC)NC)c1ccc(cc1)Cl~    2.500
67410-48-4 N#CC(=NOP(=O)(OCC)NCC)c1ccc(cc1)[N+](=O)[O-]~    1.760
67410-49-5 N#CC(=NOP(=O)(OCC)NCC)c1ccc(OC)cc1~    2.390
67517-48-0 o2c1ccc(cc1c3c2c(c(c(c3Cl)Cl)Cl)Cl)Cl~    6.790
67523-85-7 O=C(NN(C(=O)c1ccc(cc1)[N+](=O)[O-])C(C)(C)C)c2ccccc2~    2.630
67562-39-4 o2c1c(cc(c(c1Cl)Cl)Cl)c3c2c(c(c(c3Cl)Cl)Cl)Cl~    7.920
67774-11-2 O=C(OCC2OC(n1ccnc1[N+](=O)[O-])C(OC(=O)C)C(OC(=O)C)C2(OC(=O)C))C~    0.520
67774-31-6 O=NN1CC(NC(C)C1)C~    0.730
67832-97-7 O=C(N)c1ccccc1CC~    1.170
67844-27-3 C1CC2CC1CC2Cl~    3.350
67845-28-7 n1cc(nc(c1)C)OCCC~    2.290
67856-66-0 O=NN(CCOCC)CCOCC~    0.790
67922-26-3 c1cc(cc2c1c(c(c(c2Cl)Cl)Cl)Cl)Cl~    7.000
67950-78-1 O1c2ccccc2(OCCOCCOCCOCCOCCOCC1)~    0.570
68085-85-8 N#CC(OC(=O)C1C(C=C(C(F)(F)F)Cl)C1(C)(C))c3cccc(Oc2ccccc2)c3~    6.900
68133-69-7 N#CCCN(c3ccc(N=Nc2nc1ccc(cc1s2)[N+](=O)[O-])cc3)CCOC(=O)C~    4.080
68157-60-8 O=C(Nc1ccccc1)Nc2ccnc(c2)Cl~    3.200
68160-69-0 O=C(OCC(OC(=O)C)Cn1ccnc1[N+](=O)[O-])C~   -0.050
68160-70-3 O=[N+]([O-])c1nccn1CCS(=O)(=O)CC~   -0.580
68160-71-4 O=[N+]([O-])c1nccn1CC(O)COC=CC~    0.280
68162-37-8 O=C(OC)C(=Cc1oc(cc1)[N+](=O)[O-])[N+](=O)[O-]~    1.600
68162-38-9 O=C(OC)C(=Cc1oc(cc1)Br)[N+](=O)[O-]~    2.740
68284-69-5 O=C(N)C(c1ccccc1Cl)(CCN2CCCCC2)CCN(C(C)C)C(C)C~    4.780
68358-79-2 O=C(Nc2ccc(OCCc1ccc(cc1)C)cc2)N(OC)C~    3.810
68367-52-2 O=C1NC(=O)C2(N1)(c3cc(F)ccc3(OCC2))~    0.780
68556-59-2 O=C(NCC1N(CCC)CCC1)c2cc(ccc2(OC))S(=O)(=O)N~    2.160
68661-74-5 O=C(OCOC(=O)C(C)(C)C)C3=C(COC(=O)C)CSC2N3(C(=O)C2(NC(=O)Cc1cccs1))~    1.570
68672-91-3 O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)OC)CCCC~    4.600
68681-75-4 O=C1c5cccc(OC)c5(C(=O)c2c(O)c4c(c(O)c12)CC(O)(C(=O)C)CC4(OC3OC(C)C(O)C(NC(=O)CN(C)C)C3))~    1.260
68694-11-1 FC(F)(F)c2cc(ccc2(N=C(n1cncc1)COCCC))Cl~    1.400
68709-03-5 O=C(OCC)NN1CC=CCC1~    1.090
68776-62-5 N#Cc1cnncc1~   -0.630
68840-05-1 O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)C)C~    2.700
68877-63-4 N#CCCN(c2cc(NC(=O)C)c(N=Nc1c(cc(cc1Br)[N+](=O)[O-])[N+](=O)[O-])cc2(OC))CC=C~    5.400
68885-48-3 n1cc(c(nc1N)N)Cc2ccc(c(OC)c2)SC~    1.920
68914-97-6 O(c1ccccc1Cl)c2ccc(cc2Cl)Cl~    4.960
68960-60-1 O=C1NC(C1)Sc2ccc(cc2)Cl~    2.310
69049-73-6 O=C(O)C=3Oc2c(cc1C(=O)C=C(C(=O)O)N(c1c2CCC)CC)C(=O)C=3~    2.220
69141-50-0 O=C(CC(n1ncnc1)C(O)C(C)(C)C)C(C)(C)C~    1.950
69148-74-9 O=C(Oc1ccccc1(OC(C)C))N(C)C~    2.060
69218-42-4 O=C(O)CCCCn2nnc1ccccc12~    0.480
69218-44-6 O=C(O)CCCCn1nc2ccccc2(n1)~    0.940
69218-46-8 O=C(OCC)Cn2nnc1ccccc12~    1.300
69218-48-0 O=C(OCC)CCCn2nnc1ccccc12~    1.860
69218-51-5 O=C(OCC)Cn1nc2ccccc2(n1)~    1.850
69218-52-6 O=C(OCC)CCn1nc2ccccc2(n1)~    2.120
69327-76-0 O=C2N(c1ccccc1)CSC(=NC(C)(C)C)N2C(C)C~    4.300
69397-85-9 O=C(NC)CCc2c[nH]c1ccccc12~    1.230
69410-51-1 O=C(O)C(NCc1ccccc1)C(C)CC~   -0.270
69477-71-0 O=C(Nc1cc(c(O)cc1C)C)C~    0.600
69477-72-1 O=C(Nc1cc(c(O)c(c1C)C)C)C~    0.820
69513-13-9 O=C(OCC)C(=Cc1oc(cc1)[N+](=O)[O-])C(=O)OCC~    2.500
69527-40-8 N#CC(C#N)=Cc1oc(cc1)I~    2.420
69527-41-9 N#CC(=Cc1oc(cc1)I)C(=O)OC~    2.850
69698-57-3 o2c1c(cc(cc1Cl)Cl)c3c2c(cc(c3Cl)Cl)Cl~    6.340
69741-89-5 n1nc(oc1N)CCC~    0.230
69741-90-8 n1nc(oc1N)CC(C)C~    0.400
69741-93-1 n1nc(oc1N)CCCCC~    1.100
69741-94-2 n1nc(oc1N)CCCCCC~    1.430
69806-50-4 O=C(OCCCC)C(Oc2ccc(Oc1ncc(cc1)C(F)(F)F)cc2)C~    4.500
69808-71-5 O=C(NC)c1cc2ccccc2([nH]1)~    1.900
69810-98-6 O=C(OC)NC1=NCC(N1)c2ccc(cc2)C(C)C~    2.600
69811-11-6 O=C(OC)NC1=NCC(N1)c2cccc(F)c2~    1.410
69811-19-4 O=C(OC)NC1=NCC(N1)c2ccccc2Br~    1.850
69811-22-9 O=C(OC)NC1=NCC(N1)c2cccc(c2)Br~    2.090
69852-96-6 O=C(OCCN1CCCCC1)Nc2ccccc2(OCCC)~    3.810
69852-97-7 O=C(OCCN1CCCCC1)Nc2ccccc2(OCCCC)~    4.370
69922-40-3 O=C(Nc2ccc(OCCc1ccccc1)cc2)N(OC)C~    4.500
69945-50-2 n1cc(c(nc1N)N)Cc2ccc(N)cc2~    0.220
69981-38-0 O=P(N(CC)CC)(N(CC)CC)N1CCCC1~    2.390
70026-51-6 O=C1C3=C(N=C2C=CC(=CN12)C)CCC3~    1.630
70026-79-8 O=C1C3=C(N=C2N1CCCC2)CCC3~    0.720
70090-28-7 n1ccnc(OCCC)c1~    1.840
70172-32-6 O=C(O)Cc2ccccc2(Nc1cccc(c1Cl)Cl)~    4.860
70195-11-8 O=C(NN)C(C)CC~   -0.330
70290-53-8 O=C2N(c1ccccc1C)C(=O)CC2~    0.290
70381-46-3 O=C1C(=C(N=C2N1C(C)CCC2)C)CC~    1.430
70458-92-3 O=C(O)C1=CN(c2cc(c(F)cc2(C1(=O)))N3CCN(C)CC3)CC~    0.270
70458-96-7 O=C(O)C1=CN(c2cc(c(F)cc2(C1(=O)))N3CCNCC3)CC~   -1.030
70477-14-4 O=C(Nc1cccc(c1)C(C)(C)C)N(OC)C~    3.210
70579-34-9 O=C(c1cccc(c1)N2C(=NC(=NC2(C)C)N)N)C~   -0.220
70579-43-0 O=C(N)Nc3cccc(OCc1cccc(c1)N2C(=NC(=NC2(C)C)N)N)c3~    0.900
70606-63-2 N=1C(=NC(N(C=1N)c2cccc(OCCCC)c2)(C)C)N~    2.030
70657-63-5 O=C(c1ccccc1Cl)N(C(C)C)C(C)C~    3.000
70661-86-8 O=S2(=O)(N=C(Nc1ncccc12)C)~   -0.250
70785-03-4 c1ccc(cc1)C(c2ccc(cc2)C(C)(C)C)CCN(C)C~    5.100
70785-06-7 c1ccc(cc1)C(c2ccc(cc2)C(C)(C)C)CCCN(C)C~    5.720
70785-07-8 c1ccc(cc1)N(Cc2ccc(cc2)C(C)(C)C)CCN(C)C~    5.340
70866-07-8 O=NN(C(=O)NC1C(O)OC(CO)C(O)C1(O))CCCl~   -0.660
70872-82-1 o2c1ccc(c(c1c3c2c(c(cc3Cl)Cl)Cl)Cl)Cl~    6.510
70873-69-7 O=C(O)C(N)CC23(CC1CC(CC(C1)C2)C3)~    0.430
70959-58-9 N#Cc1cc(cnc1Cl)c2ccncc2~    1.740
71006-72-9 O=[N+]([O-])c1nccn1CC(O)COC(C)C~    0.510
71006-73-0 O=[N+]([O-])c1nccn1CCOC~    0.120
71006-75-2 O=C(C)Cn1ccnc1[N+](=O)[O-]~   -0.340
71006-77-4 O=[N+]([O-])c1nccn1CCOc2ccccc2~    1.890
71006-78-5 O=[N+]([O-])c1nc(n(c1)CC(O)COC)C~   -0.360
71006-79-6 O=[N+]([O-])c1nccn1CCS(=O)(=O)C~   -1.300
71006-80-9 O=[N+]([O-])c1nccn1CCS(=O)(=O)c2ccccc2~    0.520
71048-87-8 O=C(Oc2cc(OC(C)CCCc1ccccc1)cc3NC(C)C4CCC(O)CC4(c23))C~    5.720
71059-53-5 O=C(ON=Cc1ccc(cc1)Cl)NC~    2.270
71125-73-0 n1cc(c(nc1N)N)Cc2cc(OC)c(c(OC)c2)SCC~    1.790
71195-58-9 O=C1N(N=NN1CCN3CCC(N(C(=O)CC)c2ccccc2)(COC)CC3)CC~    2.160
71203-62-8 O=S(=O)(c1cc(OC)c(OC)c(OC)c1)CCC~    1.560
71203-63-9 O=S(=O)(c1cc(OC)c(OC)c(OC)c1)CC(O)c2ccccc2~    1.650
71225-61-1 O=C(NCCN(CC)CC)c1cc(cc(c1)Cl)Cl~    3.770
71283-80-2 O=C(OCC)C(Oc3ccc(Oc1nc2ccc(cc2(o1))Cl)cc3)C~    4.580
71295-34-6 O=C1C=C3C(=CC=C1(O))c2c(OC)c(OC)c(OC)cc2CCC3(NC(=O)C(F)(F)F)~    1.820
71324-48-6 O=C1C=CC2=C(C=C1(OC))C(NC(=O)C(F)(F)F)CCc3cc(OC)c(OC)c(OC)c23~    2.080
71335-68-7 O=N1C(C)(C)CC(N(C)C)CC1(C)(C)~    1.130
71357-27-2 O(c1cccc(c1)C)[Si]23(OCCN(CCO2)CCO3)~    0.150
71422-67-8 O=C(NC(=O)c1c(F)cccc1(F))Nc3cc(c(Oc2ncc(cc2Cl)C(F)(F)F)c(c3)Cl)Cl~    5.800
71525-06-9 Oc1cc(cc(OC)c1(O))Cc2cnc(nc2(N))N~   -0.310
71548-53-3 O=C(OC)C1CC(=O)N(CCCCCC)C1~    2.300
71585-36-9 O(c1ccc(c(c1Cl)Cl)Cl)c2cc(c(cc2Cl)Cl)Cl~    7.010
71585-40-5 O(c1ccc(c(c1Cl)Cl)Cl)c2cc(c(c(c2Cl)Cl)Cl)Cl~    7.280
71626-11-4 O=C(OC)C(N(C(=O)Cc1ccccc1)c2c(cccc2C)C)C~    3.400
71669-26-6 O1c3cccc(c3(Oc2c1cc(c(c2Cl)Cl)Cl))Cl~    6.390
71675-85-9 O=C(NCC1N(CC)CCC1)c2cc(c(N)cc2(OC))S(=O)(=O)CC~    1.100
71809-37-5 O=C(OCOC(=O)C(C)(C)C)C4=C(CSc1nnnn1CCN(C)C)CSC3N4(C(=O)C3(NC(=O)Cc2nc(N)sc2))~    1.570
71859-30-8 O(c1cc(c(cc1Cl)Cl)Cl)c2cc(c(cc2Cl)Cl)Cl~    6.720
71879-58-8 O=C(N)CCCc1ccncc1~   -0.090
71925-15-0 O1c3ccc(c(c3(Oc2cc(c(c(c12)Cl)Cl)Cl))Cl)Cl~    6.740
71925-16-1 O1c3cc(c(c(c3(Oc2cc(cc(c12)Cl)Cl))Cl)Cl)Cl~    6.530
71963-77-4 O(C)C3OC1OC2(OOC14(C(CC2)C(C)CCC4(C3(C))))(C)~    3.530
71990-00-6 Oc1ccc3c(c1)C4(CC)(CCN(CC2(O)(CC2))C(C3)C4(C)(C))~    3.820
72111-57-0 N#Cc1ncc(nc1(C#N))Cl~    0.950
72112-24-4 N#Cc1nc(c(nc1(C#N))CCCC)C~    2.300
72115-11-8 O=C(Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])C(O)(C)C(F)(F)F~    3.210
72116-69-9 O=C(Nc1cccc(c1)C(=O)C)Cc2ccccc2~    2.620
72126-54-6 N#Cc1nc(c(nc1(C#N))Cl)C~    1.290
72165-35-6 c1ccc(cc1)C3(N2CCCCC2)(CCC(C)(C)CC3)~    6.390
72189-64-1 N=C(N)NN=C(c1cccs1)C~    1.050
72216-45-6 O1c2ccccc2(OCCOCCOCCOCCOCCOCCOCC1)~    0.450
72242-01-4 c1ccc(cc1)C3(N2CCCCC2)(CC(C)CC(C)(C)C3)~    6.350
72301-79-2 O=S(=O)(n2c(nc1ccc(cc12)C(=NO)c3ccccc3)N)C(C)C~    3.100
72336-16-4 O=C(NCc1ccccc1)CN(CC)CC~    2.140
72336-20-0 O=C(NCc1ccccc1)CN2CCOCC2~    0.670
72424-02-3 Oc1cccc(c1)CCCCCCCCCCCCC~    8.840
72490-01-8 O=C(OCC)NCCOc2ccc(Oc1ccccc1)cc2~    4.300
72509-76-3 O=C(OC)C2=C(NC(=C(C(=O)OCC)C2(c1cccc(c1Cl)Cl))C)C~    3.860
72586-68-6 O=NN(C(=O)N(c1ccccc1)C)C~    1.580
72593-17-0 O=C(NCCN4CCN3Cc2[nH]c1ccccc1c2CC3C4)c5ccccc5[N+](=O)[O-]~    1.800
72593-21-6 O=C(NCCN4CCN3Cc2[nH]c1ccccc1c2CC3C4)c5ccccc5~    1.520
72601-44-6 O=C1N(C(=O)CC1)c2ccccc2(F)~    0.220
72601-45-7 O=C2N(c1ccccc1I)C(=O)CC2~    0.800
72601-46-8 O=C2N(c1cccc(c1)I)C(=O)CC2~    1.390
72601-47-9 O=C2N(c1cccc(c1)CC)C(=O)CC2~    1.040
72601-52-6 O=C(OC)c1cccc(c1)N2C(=O)CCC2(=O)~    0.360
72601-54-8 O=C2N(c1ccc(cc1)CC)C(=O)CC2~    1.100
72615-27-1 O=C(OC)C(c1ccccc1)C(C)C~    3.330
72699-09-3 O=C(Nc1ccc(cc1[N+](=O)[O-])Cl)c2cc(cc(c2(O))Br)Br~    5.050
72732-50-4 Oc1cc(c(OCCNC)cc1C)C(C)C~    2.350
72755-13-6 O=C(OC)Nc1cccc(F)c1~    2.210
72775-79-2 n1c(nc(nc1N)c2ccccc2CC)N~    1.650
72775-80-5 n1c(nc(nc1N)c2ccccc2(OC))N~    0.580
72775-81-6 n1c(nc(nc1N)c2ccccc2(OCC))N~    1.030
72775-85-0 O=C2C(NCC(C)C)=C(N(C(=O)N2(c1ccccc1))C)C~    1.480
72956-09-3 OC(COc2cccc3[nH]c1ccccc1c23)CNCCOc4ccccc4(OC)~    4.190
72962-38-0 O=C(N)NC(=O)C1(C(=O)OC(C)C1)(CC=C)~    0.280
72999-11-2 O=C(OC)C(=Cc1occc1)[N+](=O)[O-]~    1.880
73013-68-0 O=C(c1ccc2ncccc2(c1))C~    1.580
73046-15-8 n1cc(c(nc1N)N)Cc2ccc(OC)c(OCC)c2~    1.200
73090-70-7 n1cc(c(nc1N)N)Cc2cc(OCC)c(c(OCC)c2)n3cccc3~    2.890
73159-84-9 O2C3c1ccccc1C2C(N)C3~    0.580
73258-87-4 O=C(N)c1ccc(OCCCC)cc1~    2.480
73264-19-4 n1cc(c(nc1N)N)Cc2ccc(c(OC)c2)C~    2.140
73264-21-8 n1cc(c(nc1N)N)Cc2ccc(c(OC)c2)C(C)C~    3.140
73264-25-2 n1cc(c(nc1N)N)Cc2ccc(c(OC)c2)Cl~    1.870
73275-70-4 n1cc(c(nc1N)N)Cc2ccc(OC)c(c2)Cl~    1.650
73334-07-3 O=C(NCC(O)CO)c1c(c(NC(=O)COC)c(c(C(=O)N(C)CC(O)CO)c1I)I)I~   -2.050
73356-40-8 Oc1ccc(cc1(OC))Cc2cnc(nc2(N))N~    0.640
73384-60-8 O=S(c3ccc(c1nc2ncccc2([nH]1))c(OC)c3)C~    1.180
73403-31-3 N#CC(=Cc1oc(cc1)C)C(=O)OC~    2.220
73469-87-1 O=C(NN)Nc1cc(ccc1Cl)Cl~    1.070
73469-90-6 O=C(NN)Nc1ccc(cc1)I~    1.240
73469-91-7 O=C(NN)Nc1cccc(O)c1~   -0.500
73469-93-9 O=C(O)c1ccccc1(NC(=O)NN)~   -0.490
73498-01-8 O=S(=O)(Nc1ncc(cn1)C(C)C)c2ccc(N)cc2~    1.230
73573-88-3 O=C3OC(CCC2C(C=CC1=CCCC(OC(=O)C(C)CC)C12)C)CC(O)C3~    3.950
73632-76-5 O=C(N)NC(=O)C(C(=O)OCC)(CC)CC~    1.450
73632-77-6 O=C(N)NC(=O)C(C(=O)OC(C)C)(CC)CC~    1.990
73632-78-7 O=C(N)NC(=O)C(C(=O)OCc1ccccc1)(CC)CC~    2.740
73632-79-8 O=C(N)NC(=O)C(C(=O)OCOC)(CC)CC~    1.000
73632-80-1 O=C(N)NC(=O)C(C(=O)OCC(=O)OC)(CC)CC~    0.990
73632-81-2 O=C(N)NC(=O)C(C(=O)OC)(c1ccccc1)CC~    1.580
73632-82-3 O=C(OC)C(C(=O)NC(=O)N)(CC=C)CC=C~    1.370
73632-84-5 O=C(NC(=O)C(C(=O)OC)(C)C1C=CCCC1)NC~    1.750
73632-86-7 O=C(NC(=O)C(C(=O)OCOC)(C1=CCCCC1)C)NC~    1.800
73655-51-3 O=C(O)c1ccc(N)cc1I~    1.650
73930-96-8 O=C(OC)C(C(=O)NC(N)=S)(CC)CC~    1.820
73931-96-1 OC(c1ccc(cc1)CCc2ccccc2)Cn3cncc3~    3.400
74011-58-8 O=C(O)C1=CN(c2nc(c(F)cc2(C1(=O)))N3CCNCC3)CC~   -0.200
74014-51-0 O=CCC3CC(C)C(O)C=CC=CCC(OC(=O)CC(O)C(OC)C3(OC2OC(C)C(OC1OC(C)C(OC(=O)CCC)C(OC(=O)CC)(C)C1)C(N(C)C)C2(O)))C~    3.080
74050-98-9 O=C1Nc4ccccc4(C(=O)N1CCN3CCC(C(=O)c2ccc(F)cc2)CC3)~    3.290
74054-79-8 O=C(Nc1ccc(cc1Cl)Cl)C(C=C)C~    3.490
74070-46-5 O=[N+]([O-])c2ccc(Oc1ccccc1)c(c2(N))Cl~    4.040
74109-81-2 O=C(Nc2cccc(OCc1ccccc1)c2)N(OC)C~    3.110
74115-24-5 n1nc(nnc1c2ccccc2Cl)c3ccccc3Cl~    3.100
74134-17-1 O=C2c1ccc(cc1S(=O)(=O)c3ccc(cc23)C)NC(=O)C~    2.760
74134-18-2 O=C2c1ccc(cc1S(=O)(=O)c3ccc(cc23)CC)NC(=O)C~    3.440
74134-19-3 O=C2c1ccc(cc1S(=O)(=O)c3ccc(cc23)CCC)NC(=O)C~    3.510
74141-73-4 O=[N+]([O-])c1nccn1CCS(=O)C~   -1.220
74141-74-5 O=C(N(CCO)CCO)Cn1ccnc1[N+](=O)[O-]~   -1.640
74141-75-6 O=C(NCC(O)CO)Cn1ccnc1[N+](=O)[O-]~   -1.850
74188-69-5 O=[N+]([O-])c2cc[nH]c2(NCCSCc1[nH]cnc1C)~    1.040
74211-76-0 O=C3OC4C(C)C(N)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1(O))C(C)C(OC2OC(C)C(O)C(OC)(C)C2)C(C(=O)OC(CC)C4(O3)(C))C~    2.920
74222-97-2 O=C(OC)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)C)C~    1.200
74223-64-6 O=C(OC)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(nc(n2)C)OC~    2.200
74253-50-2 O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CCC(=O)N(C)C~    2.030
74339-86-9 O=C(Nc1ccccc1)CN(c2ccccc2)C(=O)CCl~    2.320
74339-88-1 O=C(Nc1ccccc1)CN(c2ccccc2)C(=O)C~    2.010
74339-89-2 O=C(Nc1ccccc1)CN(c2ccccc2)C(=O)C(C)Cl~    3.020
74350-90-6 O=C(Nc1ccccc1)CN(c2ccccc2)C(=O)C(Cl)Cl~    2.960
74385-72-1 O=C(ON=C(C)SC)N(C)SN(C(=O)N(C)C)C~    1.200
74385-76-5 O=C(ON=C(C)SC)N(C)SN(C(=O)N(CC)CC)C~    3.200
74385-86-7 O=C(ON=C(C)SC)N(C)SN(C(=O)N(C)C)C1CC1~    2.000
74385-89-0 O=C(ON=C(C)SC)N(C)SN(C(=O)N(C(C)C)C(C)C)C~    2.600
74399-87-4 O=C(ON=C(C)SC)N(C)SN(C(=O)N(C)C)CCCCCC~    3.300
74407-83-3 O=C(OCC)C=COc1ccccc1Cl~    3.550
74411-74-8 O=C(NCCO)c1c(c(C(=O)NCCO)c(c(c1I)N(C(=O)C)CC(O)CO)I)I~   -1.860
74433-34-4 O=C(Nc1c(cccc1C)C)c2ccc(cc2)CN(CC)CC~    3.490
74472-43-8 c1c(cc(cc1Cl)Cl)c2c(cc(c(c2Cl)Cl)Cl)Cl~    7.100
74472-44-9 c1cc(c(cc1c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl~    7.200
74517-78-5 O=C(N)C2(c3ccccc3(c1ccccc12))CCCNC(C)C~    3.110
74550-86-0 O=[N+]([O-])c3cnc(C=Cc1ccc2OCOc2(c1))n3CCO~    2.030
74550-92-8 O=[N+]([O-])c1cnc(n1CC(O)Cn2c(ncc2[N+](=O)[O-])C)C~    0.310
74550-94-0 O=[N+]([O-])c1cnc(n1CC(O)CN(CC)CC)C~   -0.080
74571-56-5 O=[N+]([O-])c1cncn1CCN2CCN(C)CC2~   -0.200
74602-43-0 O=C(Nc1c(cccc1C)C)c2cccc(c2)CN3CCCC3~    3.100
74602-46-3 O=C(Nc1c(cccc1C)C)c2ccc(cc2)CN3CCCCC3~    3.860
74602-48-5 O=C(Nc1c(cccc1C)C)c2cccc(c2)CN3CCOCC3~    2.140
74604-76-5 O=C(O)C(=O)Nc1nc(cs1)c2ccc3OCCOc3(c2)~    1.800
74618-18-1 N(=Cc1nc2ccccc2(cc1))NC(=Nc3ccccc3)N~    0.990
74633-67-3 n1cc(n(c1)C)CSCCNC(NC)=S~    0.320
74708-80-8 O=C(OCOC(=O)C(C)(C)C)C3=CCSC2N3(C(=O)C2(NC(=O)C(=NOC)c1nc(N)sc1))~    1.760
74712-19-9 O=C(NC(c1ccccc1)(C)C)C(C(C)(C)C)Br~    3.470
74729-54-7 O=NN(C(=O)NC1C(OC(=O)C)OC(C)C(OC(=O)C)C1(OC(=O)C))CCCl~    1.320
74731-64-9 O=C(c1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N)N(C)C~   -0.210
74731-66-1 n1cc(c(nc1N)N)Cc2cc(OC)c(c(OC)c2)C(C)C~    3.370
74746-42-2 O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)C~    0.230
74746-43-3 O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CC~    0.710
74746-44-4 O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCCCCC~    2.610
74751-37-4 O=NN(C(=O)NC1C(OC(=O)C)C(OC)OC(COC(=O)C)C1(OC(=O)C))CCCl~    0.670
74782-23-3 N#CC(=NOCC1OCCO1)c2ccccc2~    2.760
74974-49-5 OCc1ccc(cc1)N(CC)CC~    2.290
75032-34-7 O=[N+]([O-])c1ccc(OCCCSC)cc1~    3.240
75221-43-1 O=C(O)Cc2ccc(OCC1CCCCC1)c(OC)c2~    3.350
75333-79-8 O=[N+]([O-])c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)c2ccc(N)cc2~    1.840
75338-41-9 O=C(O)C1=CN(c2c(F)c(c(F)cc2(C1(=O)))N3CCN(C)CC3)CC~    0.300
75349-23-4 O=C(c1ccccc1)N2CCN(C)CC2~    0.350
75389-00-3 [O-][n+]1onc(c1Cc2ccccc2)Cc3ccccc3~    3.650
75410-15-0 O=C1NC=C(F)C(=O)N1C(=O)C~   -0.340
75459-14-2 Fc1ccc(cc1)C(O)(c2ccc(cc2)c3ccccc3)Cn4cncc4~    4.230
75584-51-9 O=C(OCC)C(n1nc2ccccc2(n1))C~    2.380
75680-92-1 O=C(OCC)c1nnc(cc1)Cl~    0.120
75695-93-1 O=C(OC)C3=C(NC(=C(C(=O)OC(C)C)C3(c2cccc1nonc12))C)C~    4.280
75736-33-3 OC(C(n1ncnc1)Cc2ccc(cc2Cl)Cl)C(C)(C)C~    3.800
75808-93-4 O=[N+]([O-])c1cccc(c1)C2NCCS2~    1.590
75841-80-4 n1nc(ccc1Nn2c(ccc2CC)CC)N3CCOCC3~    2.710
75841-81-5 n1nc(ccc1Nn2c(ccc2C)C)N(CC)CC~    2.730
75841-82-6 n1nc(ccc1Nn2c(ccc2C)C)N3CCOCC3~    1.940
75841-90-6 n1nc(ccc1Nn2c(ccc2C)C)N3CCCCC3~    3.130
75841-93-9 n1nc(ccc1Nn2c(ccc2C)C)N3CCNCC3~    1.440
75841-98-4 OC3CCN(c1nnc(cc1)Nn2c(ccc2C)C)CC3~    1.700
75841-99-5 n1nc(ccc1N(n2c(ccc2C)C)C)N3CCOCC3~    2.210
75842-02-3 n1nc(ccc1Nn2c(ccc2C)C)N(CCOC)CCOC~    2.060
75842-06-7 n1nc(ccc1Nn2c(ccc2C)C)N(C)C~    2.180
75851-96-6 O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCS(=O)C~   -0.670
75851-97-7 O=C(N)CCC(=O)N(c1ccc(cc1)S(=O)(=O)N(C)C)C~   -0.560
75851-98-8 O=C(NCCC(=O)N(c1ccc(cc1)S(=O)(=O)N(C)C)C)C~   -0.350
75851-99-9 O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCO~   -0.260
75852-01-6 N#CCCC(=O)N(c1ccc(cc1)S(=O)(=O)N(C)C)C~   -0.170
75852-03-8 O=C(OCCC(=O)N(c1ccc(cc1)S(=O)(=O)N(C)C)C)C~    0.260
75852-04-9 O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CC[N+](=O)[O-]~    0.300
75852-05-0 O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCOC~    0.330
75852-08-3 N#CSCCC(=O)N(c1ccc(cc1)S(=O)(=O)N(C)C)C~    0.840
75852-09-4 O=C(OCC)CCC(=O)N(c1cccc(c1)S(=O)(=O)N(C)C)C~    0.840
75852-11-8 O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCCl~    0.980
75852-12-9 O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCSC~    0.990
75852-13-0 O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCBr~    1.130
75852-14-1 O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCC~    1.190
75852-15-2 O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCOCCC~    1.260
75852-17-4 O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCCC~    1.630
75881-16-2 O=NN1CCOCC1C~   -0.030
75883-07-7 O=C1C=CC3(C(=C1)CCC2C4CC(C)C(O)(C(=O)COC(=O)CC)C4(C)(CC(O)C23(F)))(C)~    3.060
75887-54-6 O1OC34(C2OC(OCC)C(C)C4(CCC(C)C3(CCC1(O2)C)))~    3.890
75887-63-7 O=C(Oc1ccccc1)OC4OC2OC3(OOC25(C(CC3)C(C)CCC5(C4(C))))(C)~    4.410
75889-44-0 n1cc(c(nc1N)N)Cc2cc3OCOc3(cc2C)~    1.890
75889-62-2 O=P(OCC)(OCC)Cc1ccc(cc1)c3nc2ccccc2s3~    3.500
75912-69-5 O=[N+]([O-])c2ccc(OCCn1cncc1)cc2~    1.690
75922-48-4 O=C2c1[nH]c(nc1N(C(=O)N2CC)CC)c3ccccc3~    2.930
75994-55-7 O=C(O)C3=C(COC(=O)C)CSC2N3(C(=O)C2(NC(=O)Cc1ccccc1))~    0.200
76016-68-7 O=[N+]([O-])c1nonc1c2ccccc2~    2.630
76252-06-7 O=C(c1cnccc1)N3c2c(OCC(O)CNC(C)C)cccc2CCC3~    1.630
76343-98-1 O=C(O)COc1ccccc1C(C)CC~    3.320
76350-23-7 O=C(NC(CO)CO)c1c(c(NC(=O)C)c(c(C(=O)NC(CO)CO)c1I)I)I~   -2.270
76432-30-9 O=C(OCSC)c1ccccc1(OC(=O)C)~    1.940
76432-33-2 O=C(OCS(=O)C)c1ccccc1(OC(=O)C)~    0.110
76432-35-4 O=C(OCS(=O)(=O)C)c1ccccc1(OC(=O)C)~    0.570
76529-48-1 O=[N+]([O-])c1[nH]cnc1I~    0.280
76542-53-5 N#CC(C#N)=Cc1oc(cc1)SC~    2.450
76547-98-3 O=C(O)C(NC(C(=O)N1CCCC1(C(=O)O))CCCCN)CCc2ccccc2~   -1.220
76578-14-8 O=C(OCC)C(Oc3ccc(Oc1nc2ccc(cc2(nc1))Cl)cc3)C~    4.280
76674-21-0 Fc1ccc(cc1)C(O)(c2ccccc2(F))Cn3ncnc3~    2.290
76738-62-0 OC(C(n1ncnc1)Cc2ccc(cc2)Cl)C(C)(C)C~    3.200
76824-35-6 O=S(=O)(N=C(N)CCSCc1nc(N=C(N)N)sc1)N~   -0.640
76875-80-4 O=C(OCCN1CCCCC1)Nc2ccccc2(OC)~    2.710
76875-81-5 O=C(OCCN1CCCCC1)Nc2cccc(OC)c2~    2.920
77068-02-1 O=C(Nc1ccc(cc1C)Cl)c2cc(F)ccc2(O)~    4.890
77068-04-3 O=C(Nc1ccc(cc1C)Br)c2cc(F)ccc2(O)~    5.150
77269-59-1 O=C(O)Cc2ccc(OCCCc1ccccc1)c(c2)Cl~    3.900
77303-19-6 n1cccc2nc([nH]c12)c3ccc(OC)cc3(OC)~    2.570
77314-58-0 n1ccc(cc1NCCC)c2nc(n[nH]2)N~    1.610
77314-59-1 n1ccc(cc1NCCCCCC)c2nc(n[nH]2)N~    3.300
77314-60-4 n1ccc(cc1NCCCCCCCCCC)c2nc(n[nH]2)N~    4.070
77314-61-5 n1nc([nH]c1)c2ccnc(c2)NCC=C~    1.260
77314-62-6 OCCNc1nccc(c1)c2nc(n[nH]2)N~    0.240
77314-64-8 n1ccc(cc1NCCOC)c2nc(n[nH]2)N~    0.940
77314-69-3 n1ccc(cc1NCCc2ccccc2)c3nc(n[nH]3)N~    2.630
77314-73-9 n1ccc(cc1NCc2ccc(cc2)C)c3nc(n[nH]3)N~    2.690
77314-76-2 n1ccc(cc1NC)c2nc(n[nH]2)N~    0.690
77314-77-3 n1ccc(cc1NCC)c2nc(n[nH]2)N~    1.130
77314-79-5 n1ccc(cc1NCCCC)c2nc(n[nH]2)N~    2.150
77317-64-7 O=C1NC(=C(C(=O)N1(O))Br)C~   -1.120
77317-67-0 O=C1NC(=C(C(=O)N1(OCCCl))Br)C~    0.300
77317-68-1 O=C1NC(=C(C(=O)N1(OCCC))Br)C~    0.760
77317-69-2 O=C1NC(=C(C(=O)N1(OC(C)C))Br)C~    0.450
77317-71-6 O=C1NC(=C(C(=O)N1(OCC#C))Br)C~   -0.100
77317-72-7 O=C1NC(=C(C(=O)N1(OCCCC))Br)C~    1.240
77317-73-8 O=C1NC(=C(C(=O)N1(OC(C)CC))Br)C~    1.110
77317-76-1 O=C1NC(=C(C(=O)N1(OCCCCCC))Br)C~    2.480
77317-78-3 O=C1NC(=C(C(=O)N1(OCCCCCCCC))Br)C~    3.390
77317-79-4 O=C1NC(=C(C(=O)N1(OCCCCCCCCCC))Br)C~    4.650
77317-85-2 O=C1C=C(NC(=O)N1(OCCC))C~    0.300
77317-88-5 O=C1C(=C(N(C(=O)N1(OCCC))C)C)Br~    0.720
77453-35-1 OC(c1c(OC)cc(cc1(OCC))Cc2cnc(nc2(N))N)(C)C~    2.110
77456-53-2 O=S(c3ccc(c1nc2ncncc2([nH]1))c(OC)c3)C~    0.530
77458-01-6 O=P(Oc1cnn(c1)c2ccc(cc2)Cl)(OCC)SCCC~    3.770
77470-84-9 O=C(Nc1c(cccc1C)C)CCCCCCN(CC)CC~    3.480
77470-88-3 O=C(Nc1c(cccc1C)C)CCCC(N)C~    1.410
77470-99-6 O=C(Nc1c(cccc1C)C)CCCC(N(CC)CC)C~    2.640
77471-00-2 O=C(Nc1c(cccc1C)C)CC(N(CC)CC)C~    2.630
77501-63-4 O=C(OC(C(=O)OCC)C)c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-]~    4.810
77501-90-7 O=C(OCC(=O)OCC)c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-]~    3.650
77580-78-0 n1onc(c1C)CCC~    1.710
77666-53-6 O=[N+]([O-])c1nonc1C~    0.970
77732-09-3 O=C1OCCN1N(C(=O)COC)c2c(cccc2C)C~    0.800
77812-86-3 O=S(=O)(c1ccc(cc1)NC)N(C)C~    1.430
77812-87-4 O=CN(c1ccc(cc1)S(=O)(=O)N(C)C)C~    0.400
77812-88-5 O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCC#C~    0.880
77963-50-9 O1c2ccccc2(OCCOCCOCCOCCOCCOCCOCCOCCOCC1)~    0.030
78025-68-0 n1cc(c(nc1N)N)Cc2cc(OC)c(OCC)c(OC)c2~    1.340
78026-01-4 n1cc(c(nc1N)N)Cc2cc(OC)c(c(OC)c2)CC~    2.720
78090-11-6 O=C(OC)c1cc2[nH]c(nc2(cc1C))S(=O)Cc3ncccc3C~    2.400
78142-97-9 O=C(OCC5C=2C(=O)C(Nc1cnccc1)=C(C(=O)C=2N4CC3NC3C45(OC))C)N~    0.520
78182-93-1 N=3c1ccccc1N(c2ccc(cc2)Cl)C4=CC(=NCCN(CC)CC)C(=CC=34)Nc5ccc(cc5)Cl~    7.970
78233-72-4 O=C(N)C(NC(=O)C(NC(=O)C)C)CC(C)C~   -0.540
78266-06-5 O=C(O)CN(CC(=O)O)CC(=O)Nc1c(cc(c(c1C)Br)C)C~    0.110
78326-57-5 O=NN(C(=O)Nc1ccccc1)C(C)C~    2.500
78327-27-2 O=C(OCC5C=2C(=O)C(Nc1nccs1)=C(C(=O)C=2N4CC3NC3C45(OC))C)N~    0.620
78432-88-9 O=C(OCCCCCCC)C(C(=O)OCCCCCCC)=C1SCCS1~    7.600
78508-43-7 O=C(Nc1cc(c(c(c1)C)Br)C)N(C)C~    2.920
78508-44-8 O=C(N)Nc2ccc(Oc1ccccc1)cc2~    2.800
78508-46-0 O=C(N)Nc1ccc(c(c1)C)Br~    2.490
78513-74-3 O=C(Oc2cc(OC(C)CCCc1ccccc1)cc4c2C3CC(O)CCC3C(N4C)C)C~    5.720
78593-33-6 n1nc(cc2ccccc12)Br~    1.720
78617-12-6 OCC1OC(OCCCCCCC)C(O)C(O)C1(O)~    0.730
78755-81-4 O=C(OCC)c1ncn2c3ccc(F)cc3(C(=O)N(C)Cc12)~    1.000
78798-46-6 O=C(NCCN(C)C)c1ccccc1(OC)~    1.140
78879-25-1 O=[N+]([O-])c2cc(c(Nc1ncc(cc1Cl)Cl)c(c2)C(F)(F)F)[N+](=O)[O-]~    3.470
78879-38-6 O=[N+]([O-])c2cc(c(Nc1ncc(cc1Cl)C(F)(F)F)c(c2)C(F)F)[N+](=O)[O-]~    3.520
78982-40-8 O=C1Oc3c(C=C1)ccc2occ(c23)C~    2.380
79129-59-2 O=C(c1ccc(cc1)C)N(N)C~    1.360
79277-26-2 O=C(OC)c1ccsc1S(=O)(=O)NC(=O)Nc2nc(nc(n2)OC)OC~    1.300
79277-27-3 O=C(OC)c1c(ccs1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)C)OC~    1.560
79353-74-5 O=C(NN)NCC(C)C~   -0.840
79353-76-7 O=C(NN)NCCCCCC~    0.460
79402-07-6 O=C(Nc1ccc(F)cc1(F))c2cc(cc(c2(O))Br)Br~    4.990
79467-22-4 OCc1ccccc1Sc2ccccc2CN~    2.390
79508-78-4 N=1C(=NC(N(C=1N)c2cccc(c2)COc3ccccc3)(C)C)N~    1.860
79508-86-4 O=C(Nc3cccc(OCc1cccc(c1)N2C(=NC(=NC2(C)C)N)N)c3)C~    1.150
79510-48-8 O=C(O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(nc(n2)C)OC~    1.700
79540-50-4 O=C(Nc1cccc(c1Cl)Cl)c2ccc(OCOCC)cc2~    4.300
79606-43-2 O=C(c1ccc(OC)cc1)N(C(C)C)C(C)C~    2.800
79622-59-6 O=[N+]([O-])c2cc(c(c(c2(Nc1ncc(cc1Cl)C(F)(F)F))[N+](=O)[O-])Cl)C(F)(F)F~    3.560
79660-72-3 O=C(O)C1=CN(c2c(F)c(c(F)cc2(C1(=O)))N3CCN(C)CC3)CCF~    0.240
79794-75-5 O=C(OCC)N4CCC(=C2c1ncccc1CCc3cc(ccc23)Cl)CC4~    5.200
79867-78-0 O=C1c6cccc(OC)c6(C(=O)c2c(O)c5c(c(O)c12)CC(O)(C(=O)C)CC5(OC4OC(C)C(O)C(N3CCOCC3)C4))~    2.310
79911-03-8 [O-][n+]1onc(c1C)Cc2ccccc2~    2.080
79951-58-9 O=C1c6cccc(OC)c6(C(=O)c2c(O)c5c(c(O)c12)CC(O)(CC5(OC4OC(C)C(O)C(N3CCOCC3)C4))C(O)C)~    2.030
80012-43-7 N4=C(N)N3c1ccccc1Cc2ccccc2C3C4~    3.510
80033-99-4 O=C(Nc1ccc(F)cc1(F))c2cc(cc(c2(O))Cl)Cl~    4.550
80121-60-4 NC13(CC2CC(CC)(C1)CC(CC)(C2)C3)~    4.360
80121-61-5 NC13(CC2CC(C1)CC(CCC)(C2)C3)~    3.760
80125-14-0 O=C(NCC1N(CC)CCC1)c2c(OC)ccc(c2(OC))Br~    2.100
80171-69-3 O=C(OCCN1CCCCC1)Nc2ccccc2COCC~    2.720
80267-16-9 n1cc(c(nc1N)N)Cc2ccc(OCC)c(OCC)c2~    1.720
80267-17-0 n1cc(c(nc1N)N)Cc2ccc(OCCC)c(OC)c2~    2.020
80353-09-9 c2cc(C1=CCN(C)CC1)sc2~    2.510
80407-58-5 O=C(N)COc1ccccc1Cc2cnc(nc2(N))N~   -0.340
80412-20-0 O=C(O)CCSc2c[nH]c1ccccc12~    2.150
80431-02-3 O=C(NN1CC=CCC1)Cc2cnccc2~    0.050
80431-09-0 O=C(NN1CC=CCC1)C(C)(C)C~    1.030
80431-10-3 O=C(NN1CC=CCC1)C2CC2~    1.120
80431-14-7 O=C(NN1CC=CCC1)c2occc2~    0.810
80616-56-4 O=C(Nc1n[nH]c(n1)NC(=O)C(F)(F)F)C(F)(F)F~    0.620
80616-58-6 O=C(Nc1n[nH]c(n1)NC(=O)CCC)CCC~    0.790
80616-59-7 O=C(Nc1nc(n[nH]1)N)C(F)(F)C(F)(F)C(F)(F)F~    1.540
80617-74-9 OC(COCCCc1ccccc1)CNC(C)C~    1.940
80617-76-1 OC(COCCCc1ccccc1)CNC(C)(C)C~    2.580
80617-78-3 OC(COCC=Cc1ccccc1)CNC(C)(C)C~    2.290
80617-86-3 OC(COC2c1ccccc1CCC2)CNC(C)(C)C~    3.550
80715-99-7 O=C(OC)C1=CN=C2N(C1(=O))CCCC2~   -0.250
80790-68-7 O=C1c6cccc(OC)c6(C(=O)c2c(O)c5c(c(O)c12)CC(O)(C(=O)CO)CC5(OC4OC(C)C(O)C(N3CCOCC3)C4))~    1.730
80844-07-1 O(c1ccccc1)c2cccc(c2)COCC(c3ccc(OCC)cc3)(C)C~    7.050
80866-90-6 O=C(N)C(C(=O)N)(c1ccccc1)CC~    0.130
80894-32-2 O=C(NN)N(CC)CC~   -0.620
80992-92-3 O=C(C=Cc1cccc(c1)C(F)(F)F)C~    3.030
80992-93-4 O=C(C=Cc1ccc(cc1)C(F)(F)F)C~    3.130
81060-10-8 Fc2cccc(N=C1NCCN1)c2Cl~    1.520
81103-11-9 O=C3OC(CC)C(O)(C)C(O)C(C(=O)C(C)CC(OC)(C)C(OC1OC(C)CC(N(C)C)C1(O))C(C)C(OC2OC(C)C(O)C(OC)(C)C2)C3C)C~    3.160
81292-48-0 N1=C(OC(C1)COc2ccc(cc2)C)N~    1.790
81292-49-1 N1=C(OC(C1)COc2ccc(cc2)Cl)N~    2.000
81292-50-4 N1=C(OC(C1)COc2ccc(OC)cc2)N~    1.260
81310-40-9 N#CC(c1ccc(cc1)[N+](=O)[O-])C(C)C~    2.800
81334-34-1 O=C(O)c2cccnc2(C1=NC(C(=O)N1)(C)C(C)C)~    0.220
81406-37-3 O=C(OC(C)CCCCCC)COc1nc(F)c(c(N)c1Cl)Cl~    4.530
81496-81-3 OC3OC1OC2(OOC14(C(CC2)C(C)CCC4(C3(C))))(C)~    2.190
81592-11-2 O=C(Oc1cccc(c1)C(=O)N)CNC(=O)c2ccccc2~    1.200
81592-15-6 O=C(Oc1cc(cc(c1)C)C)CNC(=O)c2ccccc2~    3.400
81592-16-7 O=C(Oc1cc(OC)cc(OC)c1)CNC(=O)c2ccccc2~    2.690
81686-41-1 c1c(c(cc(c1Cl)C(C)C)Cl)C~    5.600
81686-42-2 c1c(c(c(c(c1Cl)C)Cl)Cl)C(C)C~    6.200
81686-43-3 c1(c(c(c(c(c1Cl)Cl)C(C)C)Cl)Cl)C~    6.800
81686-44-4 c1cc(c(c(c1C)Cl)Cl)C(C)C~    5.500
81792-70-3 O=C(NS(=O)(=O)c1cc(cc(c1)C(F)(F)F)[N+](=O)[O-])C(CC)CC~    3.570
81792-74-7 O=C(NS(=O)(=O)c1ccc(cc1(N))C)C(C)C~    1.650
81792-75-8 O=C(NS(=O)(=O)c1ccc(cc1(N))C(F)(F)F)C(C)C~    2.560
81792-76-9 O=C(NS(=O)(=O)c1ccc(OC)cc1(N))C(C)C~    1.580
81792-78-1 O=C(NS(=O)(=O)c1ccccc1(N))C(CC)CC~    1.640
81792-80-5 O=C(NS(=O)(=O)c1ccc(cc1(N))C(F)(F)F)C(CC)CC~    3.040
81792-81-6 O=C(NS(=O)(=O)c1ccc(OC)cc1(N))C(CC)CC~    2.030
81792-98-5 O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C~    1.720
81792-99-6 O=C(NS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C)C(C)C~    2.170
81865-11-4 N#CC(C#N)=NNc1ccc(cc1)CCCl~    3.580
81892-67-3 O=C(NCCO)C(n1ccnc1[N+](=O)[O-])C~   -1.160
81892-68-4 O=C(NCC(O)CO)C(n1ccnc1[N+](=O)[O-])C~   -1.640
81892-69-5 O=C(NC(CO)(CO)CO)Cn1ccnc1[N+](=O)[O-]~   -1.770
82211-24-3 O=C(Nc1ccc(cc1C(O)c2ccccc2)Cl)c3ccncc3~    3.130
82412-82-6 O=C(O)C(O)(c1ccc(cc1)CC(C)C)C~    2.750
82419-36-1 O=C(O)C2=CN1c3c(OCC1C)c(c(F)cc3(C2(=O)))N4CCN(C)CC4~   -0.390
82535-32-8 N#Cc1ccc(cc1)COC(=O)C2C(C=C(C)C)C2(C)(C)~    4.910
82558-50-7 O=C(Nc1onc(c1)C(C)(CC)CC)c2c(OC)cccc2(OC)~    3.940
82560-54-1 O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(CCC(=O)OCC)C(C)C~    4.300
82568-68-1 O=C(N)c2ccccc2(OCc1ccc(cc1)[N+](=O)[O-])~    1.730
82568-69-2 O=C(N)c2ccccc2(OCc1ccc(OC)cc1)~    1.630
82700-02-5 NC(C)CC1CCCCCCC1~    3.700
82756-29-4 O=C1C=CN(C(=C1(O))C)CCCCCCCC~    2.880
82774-01-4 O=C(ON=C(C)SC)N(C)SN(C(=O)c1ccccc1)C~    2.200
82774-06-9 O=C(ON=C(C)SC)N(C)SN(C(=O)c1ccc(cc1)Cl)C~    2.600
82774-07-0 O=C(ON=C(C)SC)N(C)SN(C(=O)c1ccccc1Cl)C~    2.500
82774-14-9 O=C(ON=C(C)SC)N(C)SN(C(=O)c1cccc(c1)Cl)C~    2.700
82774-15-0 O=C(ON=C(C)SC)N(C)SN(C(=O)c1cccc(c1)C(F)(F)F)C~    2.500
82774-16-1 O=C(ON=C(C)SC)N(C)SN(C(=O)c1ccc(cc1Cl)Cl)C~    3.200
82774-17-2 O=C(ON=C(C)SC)N(C)SN(C(=O)c1ccc(cc1)C)C(C)C~    3.400
82774-18-3 O=C(ON=C(C)SC)N(C)SN(C(=O)c1ccccc1)CCCC~    3.400
83002-04-4 Oc1cc(ccc1C2CC(O)CCC2(CCCO))C(C)(C)CCCCCC~    6.130
83029-57-6 O=C(NCCNCC(O)COc1ccccc1)C(C)C~    1.140
83055-99-6 O=C(OC)c1ccccc1CS(=O)(=O)NC(=O)Nc2nc(OC)cc(n2)OC~    2.450
83116-90-9 O=C(OCC2C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(n1ccnc1[N+](=O)[O-])S2)C~    0.630
83118-48-3 FC(F)(F)c1ccc2c(c1)C3CC(N)C2C3~    3.060
83121-18-0 O=C(NC(=O)c1c(F)cccc1(F))Nc2cc(c(F)c(c2(F))Cl)Cl~    4.560
83123-89-1 O=C(OCC=CC)C1C(C=C(C)C)C1(C)(C)~    5.090
83130-01-2 O=C(ON=C(C)SC)N(C)SN(Cc1ccccc1)CCC(=O)OCC~    3.430
83157-97-5 n1cc(c(nc1N)N)Cc2cc3OCOc3(cc2Br)~    2.480
83157-99-7 n1cc(c(nc1N)N)Cc2cc(nc(OC)c2)OC~    1.640
83158-01-4 n1cc(c(nc1N)N)Cc4cc(OC)c(OCc2ccccc2)c(OCc3ccccc3)c4~    4.090
83158-05-8 n1cc(c(nc1N)N)Cc3cc(OCc2ccccc2)c(OC)cc3C~    2.690
83158-06-9 n1cc(c(nc1N)N)Cc3ccc(OCc2ccccc2)c(OC)c3~    2.660
83164-33-4 O=C(Nc1ccc(F)cc1(F))c3cccnc3(Oc2cccc(c2)C(F)(F)F)~    4.900
83166-73-8 n1cc(c(nc1N)N)Cc2cc(OC)c(OC)c(c2)I~    2.330
83166-74-9 n1cc(c(nc1N)N)Cc2cc(OC)cc(OC)c2Cl~    2.130
83166-76-1 Oc1cc(ccc1(OC))Cc2cnc(nc2(N))N~    0.740
83166-78-3 O=C(OC)COc1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N~    0.550
83200-90-2 O=[N+]([O-])c1nc(cn1CC(O)COC)Br~    0.460
83293-76-9 O=C(N)c1cc(N=NN(C)C)cc(c1)C(=O)N~    0.220
83430-06-2 O=C(O)CON=C(c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-])C~    4.300
83593-63-9 OC(c1ccccc1)CN(CCCC)CCCC~    3.160
83657-24-3 OC(C(=Cc1ccc(cc1Cl)Cl)n2ncnc2)C(C)(C)C~    4.300
83704-30-7 o2c1c(cccc1Cl)c3cc(c(c(c23)Cl)Cl)Cl~    6.110
83801-60-9 O(c1cccc(c1)Br)[Si]23(OCCN(CCO2)CCO3)~    0.260
83870-89-7 O=C(O)C(NS(=O)(=O)c1ccccc1)CCC(=O)NCC~    0.150
83870-90-0 O=C(O)C(NS(=O)(=O)c1ccccc1)CCC(=O)NCCC~    0.010
83992-69-2 O(c1cc(c(cc1Cl)Cl)Cl)c2cc(c(c(c2Cl)Cl)Cl)Cl~    7.460
83992-71-6 O(c1ccc(c(c1Cl)Cl)Cl)c2c(c(cc(c2Cl)Cl)Cl)Cl~    7.140
83992-72-7 O(c1cc(c(c(c1)Cl)Cl)Cl)c2cc(c(c(c2Cl)Cl)Cl)Cl~    7.550
83992-73-8 O(c1cc(c(c(c1Cl)Cl)Cl)Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl~    8.070
84043-25-4 O=C(OCC2OC(N1C=C(C(=O)NC1(=O))I)CC2(O))CC~    0.680
84043-26-5 O=C(OCC2OC(N1C=C(C(=O)NC1(=O))I)C2(O))CCC~    0.870
84043-27-6 O=C1NC(=O)N(C=C1I)C2OC(COC(=O)C(C)C)C2(O)~    0.830
84043-28-7 O=C1NC(=O)N(C=C1I)C2OC(COC(=O)C(C)(C)C)C(O)C2~    1.340
84043-31-2 O=C(OCC2OC(N1C=C(C(=O)NC1(=O))I)CC2(O))c3ccccc3~    1.400
84052-69-7 O=C(OCC2OC(N1C=C(C(=O)NC1(=O))I)CC2(O))CCCC~    1.440
84057-95-4 O=C(Nc1c(cccc1C)C)C2N(CCC)CCCC2~    2.900
84064-38-0 O=C(O)CC(O)CC(O)CCC2C(C=CC1=CCCC(OC(=O)C(C)CC)C12)C~    3.600
84104-57-4 O=C4OC(OC(=O)C3=CCSC2N3(C(=O)C2(NC(=O)C(=NOC)c1nc(N)sc1)))c5ccccc45~    1.280
84123-05-7 O=C(c1nc(n(c1C)CC(O)C)[N+](=O)[O-])C~    0.370
84174-20-9 O=NN(C)Cc1ccc(OC)cc1~    1.620
84174-22-1 O=NN(C)Cc1ccc(cc1)Cl~    2.190
84174-23-2 N#Cc1ccc(cc1)CN(N=O)C~    0.950
84199-91-7 O=C(N)CCc1ncccc1~   -0.270
84199-97-3 O=C(N)CCCCc1ncccc1~    0.380
84199-99-5 O=C(N)CCc1cnccc1~   -0.260
84200-01-1 O=C(N)CCCc1cnccc1~   -0.080
84200-03-3 OCCCCCc1cnccc1~    1.410
84200-04-4 O=C(N)CCCCc1cnccc1~    0.400
84200-05-5 n1cccc(c1)CCCCCN~    1.410
84200-07-7 O=C(N)CCc1ccncc1~   -0.250
84200-11-3 O=C(N)CCCCc1ccncc1~    0.420
84332-86-5 O=C1OC(C(=O)OCC)(C(=O)N1c2cc(cc(c2)Cl)Cl)C~    3.150
84397-27-3 O=C(OCC5C=2C(=O)C(Nc1cnc(OC)cc1)=C(C(=O)C=2N4CC3NC3C45(OC))C)N~    0.590
84408-37-7 OCCOCn2cnc1cnc(nc12)N~   -1.080
84472-85-5 [N-]=[N+]=NC1CC(OC1(CO))N2C=CC(=O)NC2(=O)~   -0.320
84472-89-9 [N-]=[N+]=NC1CC(OC1(CO))N2C=CC(=NC2(=O))N~   -0.700
84496-56-0 O=C(Nc1ccccc1)C(Oc2ccc(c(c2Cl)C)Cl)C~    4.800
84625-61-6 O=C1N(N=CN1c2ccc(cc2)N7CCN(c6ccc(OCC3OC(OC3)(c4ccc(cc4Cl)Cl)Cn5ncnc5)cc6)CC7)C(C)CC~    5.660
84640-21-1 O=C(OCc1ccc(cc1)C)N(C)C~    2.630
84640-22-2 O=C(OCc1ccc(F)cc1)N(C)C~    2.300
84640-23-3 O=C(OCc1cccc(OC)c1)N(C)C~    2.090
84640-24-4 O=C(OCc1ccc(OC)cc1)N(C)C~    2.200
84640-25-5 O=C(OCc1cccc(N)c1)N(C)C~    1.060
84640-27-7 O=C(OCc1ccc(cc1)Cl)N(C)C~    2.930
84640-29-9 O=C(OCc1cccc(OC(C)C)c1)N(C)C~    3.030
84640-30-2 O=C(OCc2ccc(OCc1ccccc1)cc2)N(C)C~    3.270
84640-31-3 O=C(OCc1ccc(cc1)[N+](=O)[O-])N(C)C~    1.950
84640-32-4 N#Cc1ccc(cc1)COC(=O)N(C)C~    1.670
84640-33-5 O=C(OCc1ccc(cc1)Br)N(C)C~    3.010
84640-34-6 O=C(OCc1ccc(cc1)I)N(C)C~    3.320
84640-35-7 O=C(OCc1ccc(cc1)C(F)(F)F)N(C)C~    3.080
84640-36-8 O=C(OCc2cccc(Oc1ccccc1)c2)N(C)C~    3.550
84640-38-0 O=C(Oc1ccc(cc1)COC(=O)N(C)C)N(C)C~    1.590
84652-30-2 O=C(N)CC(NC(=O)C)C(=O)N~   -2.410
84712-77-6 n1c(nc(nc1NC2CCCCC2)Cl)NCC~    3.630
84846-21-9 O=C(NCC)C2C1C=CC(C1)C2(C(=O)NCC)~    0.660
84884-30-0 N#Cc1cc(cnc1N(C)C)c2ccncc2~    2.130
84952-60-3 c1ccc(cc1)C(CNC)CC~    2.820
84952-61-4 c1ccc(cc1)C(CNC)C(C)C~    3.120
85033-96-1 O=C(Cc1ccccc1)S~    1.910
85078-20-2 O=[N+]([O-])C(CC)C(c1ccc(OC)cc1)c2ccc(OC)cc2~    4.450
85078-27-9 O=[N+]([O-])CC(c1ccc(OC)cc1)c2ccc(OC)cc2~    3.570
85093-33-0 O=C1NC(=O)N(C=C1(F))Cc2ccc(cc2)Cl~    1.640
85093-35-2 O=C1NC(=O)N(C=C1(F))Cc2ccc(OC)cc2~    1.040
85179-34-6 O=CCC2CC(C(=O)C=CC3OC3(CC(OC(=O)CC(OC(=O)C)C(OC)C2(OC1OC(C)C(O)C(N(C)C)C1(O)))C))C~    0.300
85326-32-5 O=C(OCCCC)N1C=C(F)C(=O)NC1(=O)~    0.890
85432-35-5 O=C1NC(=O)C(C(=O)N1C(C)C)(CC)CC~    2.360
85432-36-6 O=C2NC(=O)C(c1ccccc1)(C(=O)N2C(C)C)CC~    2.580
85432-38-8 O=C1N=C(OC(C)C)C(C(=O)N1)(CC)CC~    1.860
85432-39-9 O=C1N=C(OC(C)C)C(C(=O)N1)(c2ccccc2)CC~    2.220
85509-19-9 Fc1ccc(cc1)[Si](c2ccc(F)cc2)(C)Cn3ncnc3~    3.700
85544-42-9 n1cc(c(nc1N)N)Cc2cc(OC)c(C=CC)c(OCC)c2~    2.650
85544-44-1 n1cc(c(nc1N)N)Cc2ccc(OC)c(N)c2~    0.760
85544-45-2 n1cc(c(nc1N)N)Cc2ccc(N)c(OC)c2~    0.490
85544-47-4 n1cc(c(nc1N)N)Cc2ccc(c(OC)c2)N(C)C~    1.870
85544-52-1 n1cc(c(nc1N)N)Cc2cc(OC)ccc2Br~    2.000
85544-53-2 n1cc(c(nc1N)N)Cc2cc(OC)c(cc2Br)Br~    3.170
85544-57-6 n1cc(c(nc1N)N)Cc2cc(OC)c(OC)c(OC)c2I~    1.790
85555-96-0 n1cc(c(nc1N)N)Cc2ccc(OC)c(OCCC)c2~    1.880
85623-70-7 [O-][N+](=Cc1ccc(F)cc1)C(C)(C)C~    1.420
85653-81-2 O=C1C=CN=C2C=C(C=CN12)C~    0.560
85664-58-0 [O-][N+](=Cc1ccc(cc1)CC)C(C)(C)C~    2.190
85683-39-2 O=C1C(=NN=C(N1C)S)c2ccc(F)cc2~    2.380
85728-59-2 O=C(OC)CS(=O)c1ccc(cc1)[N+](=O)[O-]~    0.800
85785-20-2 O=C(N(CC)C(C)C(C)C)SCc1ccccc1~    4.600
85819-14-3 O=C(NCCCN(C)C)c1ccccc1(OC)~    1.270
85819-15-4 O=C(NCCCN(CC)CC)c1ccccc1(OC)~    1.760
85856-32-2 O=C(Nc1cccc(N)c1)Cc2ccccc2~    1.590
85872-51-1 O=C2c1[nH]c(nc1N(C(=O)N2CCC)CCC)c3ccc(cc3(N))Cl~    4.020
85873-47-8 O=C(NS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)C(C)C~    3.100
85879-18-1 O=C(ON=Cc1ccc(c(c1)Cl)Cl)NC~    2.890
85879-19-2 O=C(ON=Cc2cccc(Oc1ccccc1)c2)NC~    3.120
85879-21-6 O=C(N)Nc1cccc(c1)SC~    1.570
85879-22-7 O=C(N)Nc2ccc(Oc1ccc(cc1)Br)cc2~    3.700
85918-35-0 O(c1ccc(c(c1Cl)Cl)Cl)c2c(cccc2Cl)Cl~    6.110
85918-37-2 O(c1cc(c(cc1Cl)Cl)Cl)c2c(ccc(c2Cl)Cl)Cl~    6.470
85956-22-5 O=C3OC(CCC2C(C=CC1=CC(O)CC(OC(=O)C(C)CC)C12)C)CC(O)C3~    2.420
86072-07-3 O=[N+]([O-])c1cnc(n1C)Cl~    0.620
86073-85-0 OC(c2cc(nc1ccccc12)C(C)(C)C)CCC3CCNCC3~    3.630
86230-36-6 O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)c3ccccc3)C~    3.500
86230-38-8 O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)c3ccccc3Cl)C~    4.100
86315-52-8 O=S(c3ccc(c1nc2cnccc2([nH]1))c(OC)c3)C~    1.250
86393-37-5 O=C(O)C1=CN(NC)c2cc(c(F)cc2(C1(=O)))N3CCN(C)CC3~    0.230
86436-46-6 O=C1C=C3C(=CC=C1(OC))c2c(OC)c(O)c(OC)cc2CCC3(NC(=O)C(F)(F)F)~    1.670
86476-06-4 O=C(OCC5C=1C(=O)C(N)=C(C(=O)C=1N4CC3N(C(=O)OCc2ccccc2)C3C45(OC))C)N~    1.340
86479-06-3 O=C(NC(=O)c1c(F)cccc1(F))Nc2cc(c(OC(F)(F)C(F)F)c(c2)Cl)Cl~    5.680
86516-51-0 O=C(c1ccc(OC)cc1)CS(=O)(=O)c2ccc(cc2)C~    2.470
86552-09-2 O=S(=O)(c1ccc(N)cc1)c2ccc(cc2)N(C)C~    1.990
86569-89-3 O=C(ON=C(C)SC)N(C)SN(C(=O)OCCCCCCCCCC)C~    6.200
86569-90-6 O=C(ON=C(C)SC)N(C)SN(C(=O)OC1CCCCC1)C~    3.600
86569-91-7 O=C(ON=C(C)SC)N(C)SN(C(=O)C)C~    1.300
86569-92-8 O=C(ON=C(C)SC)N(C)SN(C(=O)CC)C~    1.600
86569-93-9 O=C(ON=C(C)SC)N(C)SN(C(=O)CCC)C~    2.200
86569-94-0 O=C(ON=C(C)SC)N(C)SN(C(=O)C(C)C)C~    2.200
86569-95-1 O=C(ON=C(C)SC)N(C)SN(C(=O)C)CCCC~    2.400
86569-98-4 O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)OC(C)(C)C)C~    4.300
86570-00-5 O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)CC)C~    3.200
86570-01-6 O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)CCC)C~    3.800
86570-02-7 O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)C(C)C)C~    3.600
86570-05-0 O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)c3ccc(cc3Cl)Cl)C~    4.900
86571-25-7 O=C(C=Cc1ccccc1)C(F)(F)F~    3.010
86598-92-7 n1cnn(c1)CC(=Nc2ccc(cc2Cl)Cl)SCc3ccc(cc3)Cl~    4.940
86678-86-6 O=C(NCc1ccccc1)CCC(C)C3CCC4C5C(O)CC2CC(O)CCC2(C)C5(CC(O)C34(C))~    3.540
86763-47-5 O=C(N(c1c(cccc1CC)C)COC(C)C)CCl~    3.500
86811-58-7 O=C(NC(=O)c1c(F)cccc1(F))Nc3ccc(c(Oc2ncc(cc2Cl)C(F)(F)F)c3)Cl~    5.100
86811-82-7 O(c1ccc(cc1)Br)[Si]23(OCCN(CCO2)CCO3)~    0.580
86825-39-0 O(c1cccc(c1)Cl)[Si]23(OCCN(CCO2)CCO3)~    0.460
86880-51-5 N#Cc2ccccc2(OCC(O)CNCCNC(=O)Cc1ccc(O)cc1)~    0.920
86943-77-3 c1ccc2c(c1)C3CC(NCCC)C2C3~    3.220
86943-78-4 c1ccc2c(c1)C3CC(NCC)C2C3~    2.670
86943-80-8 O2C3c1ccccc1C2C(NC)C3~    0.930
86988-90-1 [O-][n+]1onc(c1C)Cl~    1.020
86992-69-0 c1ccc2c(c1)C3CCC2C3(NC)~    2.370
87051-43-2 O=C2C(=C(N=C1N2(C=CS1))C)CCN5CCC(=C(c3ccc(F)cc3)c4ccc(F)cc4)CC5~    5.200
87072-64-8 O=C(N(N=Nc1ccc(cc1)CC)C)C~    3.360
87072-65-9 O=C(N(N=Nc1ccc(F)cc1)C)C~    2.770
87130-18-5 O=C(OC)Nc1ccc(OCC)c(OCC)c1~    2.100
87130-19-6 O=C(OCC)Nc1ccc(OCC)c(OCC)c1~    2.540
87130-20-9 O=C(OC(C)C)Nc1ccc(OCC)c(OCC)c1~    2.910
87130-27-6 O=C(OCC=C)Nc1ccc(OCC)c(OCC)c1~    2.750
87130-34-5 O=C(OCC#C)Nc1ccc(OCC)c(OCC)c1~    2.680
87130-55-0 O=C(OC(COC)CCl)Nc1ccc(OCC)c(OCC)c1~    2.820
87130-56-1 N#CCCOC(=O)Nc1ccc(OCC)c(OCC)c1~    2.070
87130-88-9 O=C(OCCC)Nc1ccc(OCC)c(OCC)c1~    2.930
87154-30-1 O=P1(OCCCN1(Cl))(N(CCCl)CCCl)~    1.940
87237-48-7 O=C(OCCOCC)C(Oc2ccc(Oc1ncc(cc1Cl)C(F)(F)F)cc2)C~    4.330
87269-97-4 O=C(O)C(NC(C(=O)N1C(C(=O)O)CC2CCCC12)C)CCc3ccccc3~    0.220
87359-11-3 n1ccc2[nH]c(nc2(c1))c3ccc(OC)cc3(OC)~    2.560
87359-63-5 n1ccc2[nH]c(nc2(c1))c3ccc(OC)cc3(OCCCCl)~    3.530
87365-63-7 O=C(Oc1cc(OCC#C)c(cc1Cl)Cl)N2CCCC2~    3.820
87469-33-8 O=C2Nc1c(ncn1CC=C)C(=N)N2C~   -0.570
87469-41-8 O=C2Nc1c(ncn1CCOC)C(=N)N2C~   -0.960
87469-44-1 O=C1Nc2ncn(c2(C(=N)N1C))CCOCC~   -1.100
87469-45-2 O=C2Nc1c(ncn1CCSCC)C(=N)N2C~    0.000
87469-46-3 O=C1Nc2ncn(c2(C(=N)N1C))CCSCC~   -0.130
87469-47-4 O=C2Nc1c(ncn1CCOC=C)C(=N)N2C~   -0.240
87469-62-3 O=C1Nc2ncn(c2(C(=N)N1C))Cc3ccccc3~    0.070
87469-68-9 O=C2Nc1c(ncn1CCOCOC)C(=N)N2C~   -1.520
87546-18-7 O=C(OCCCCC)COc1cc(c(F)cc1Cl)N2C(=O)C3=C(C2(=O))CCCC3~    4.990
87586-46-7 O1c3ccccc3(OCCOCCOCCOCCOCCOCCOc2ccccc2(OCCOCCOCC1))~    1.450
87653-49-4 O=C(N)NCCCCCCN1N=C(C=CC1(=O))c2ccccc2~    1.820
87666-25-9 O=C(NC)NCCN1N=C(C=CC1(=O))c2ccccc2~    0.390
87666-31-7 O=C(N)NCCCCN1N=C(C=CC1(=O))c2ccccc2~    1.210
87674-68-8 O=C(N(c1c(csc1C)C)C(C)COC)CCl~    2.150
87691-87-0 n2c(c1ccccc1s2)N3CCNCC3~    2.140
87714-68-9 O=C(OC)CON=C(c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-])C~    4.540
87757-18-4 O=C(N1OCCC1)C(Oc3ccc(Oc2ncc(cc2Cl)Cl)cc3)C~    3.360
87764-56-5 O=C(Oc1cccc(c1)C2(C(=O)CC)(CCN(C)CC2))OCC~    1.290
87771-40-2 O=C(NCC(O)CO)c1c(c(C(=O)NCC(O)CO)c(c(c1I)N(C(=O)CO)CCO)I)I~   -2.980
87818-31-3 O(Cc1ccccc1C)C3CC2(OC3(C)(CC2))C(C)C~    4.620
87820-88-0 O=C2C(=C(O)CC(c1c(cc(cc1C)C)C)C2)C(=NOCC)CC~    4.460
87871-35-0 N=1C(=NC(N(C=1N)c2ccc(N)cc2)(C)C)N~   -0.590
87885-48-1 O=[N+]([O-])c1nccnc1(NCC(O)CO)~   -0.490
88054-22-2 O=[N+]([O-])c1nc([nH]c1)C~    0.150
88095-60-7 n1cc(OCCC)c[nH]1~    1.420
88107-10-2 O=C(c2ccc(OCCCCc1nnn[nH]1)c(c2(O))CCC)C~    3.820
88116-58-9 O=C(NC(CO)CO)c1c(c(C(=O)NC(CO)CO)c(c(c1I)N(C(=O)C)CCO)I)I~   -2.330
88132-15-4 O=C(Nc1ccc(cc1)[N+](=O)[O-])N(OC)C~    1.740
88132-16-5 O=C(Nc1ccc(N)cc1)N(OC)C~   -0.160
88132-19-8 O=C(Nc1cccc(c1)[N+](=O)[O-])N(OC)C~    1.640
88132-20-1 N#CC(C#N)=Cc1ccc(cc1)NC(=O)N(OC)C~    2.190
88132-23-4 O=C(Nc1ccc(cc1)C(=O)C)N(OC)C~    1.220
88132-24-5 O=C(Nc1ccc(F)cc1)N(OC)C~    1.460
88132-25-6 O=C(OCC)c1ccc(cc1)NC(=O)N(OC)C~    2.240
88132-26-7 O=C(Nc1ccc(cc1)C(=O)c2ccccc2)N(OC)C~    2.860
88132-31-4 O=C(Nc2ccc(OCCCCOc1ccccc1)cc2)N(OC)C~    3.570
88132-35-8 O=C(Nc2ccc3c1ccccc1Cc3(c2))N(OC)C~    3.670
88132-40-5 O=C(Nc1cccc(c1)CCCC)N(C)C~    3.230
88132-41-6 O=C(Nc1ccc(cc1)C2CCCCC2)N(C)C~    3.830
88132-43-8 O=C(OC(CC(C)C)CC(C)C)c1ccc(cc1Cl)NC(=O)N(C)C~    5.150
88150-42-9 O=C(OC)C2=C(NC(=C(C(=O)OCC)C2(c1ccccc1Cl))COCCN)C~    3.000
88158-44-5 O=C1C=CC4(C(=C1)CCC3C5CCC(O)(C(=O)COC2OC(CO)C(O)C(O)C2(O))C5(C)(CC(O)C34))(C)~    0.190
88203-05-8 N#CCNc1ccccc1(C(=O)N)~    0.500
88203-06-9 O=C(C)CNc1ccccc1(OC)~    1.490
88267-61-2 O=C(N)c1ccccc1(NCCO)~   -0.050
88267-62-3 O=C(N)c1ccccc1(NCCCO)~    0.700
88283-41-4 N(OC)=C(c1ccc(cc1Cl)Cl)Cc2cnccc2~    3.700
88437-14-3 O=C1C(=C(N=C2N1CCCC2)C)C~    0.600
88449-50-7 O=C(O)Cc1ccc(OC(C)C)c(OC)c1~    1.750
88485-37-4 FC(F)(F)C(=NOCC1OCCO1)c2ccc(cc2)Cl~    2.900
88491-49-0 O=C1C3=C(N=C2N1CCC2)CCC3~    0.220
88491-50-3 O=C1C3=C(N=C2N1CCC2)CCCC3~    0.830
88497-95-4 O=C(N)Nc1cccc(c1)S(=O)(=O)C~   -0.120
88511-47-1 O=C(N)c1cnncc1~   -0.960
88511-48-2 O=C(N)c1ncccn1~   -1.200
88530-27-2 O=C(N)C(NC(=O)C)CC23(CC1CC(CC(C1)C2)C3)~    1.900
88598-34-9 O=C(O)C3N2C(=O)C(NC(=O)Cc1ccc(cc1Cl)Cl)C2SC3(C)(C)~    3.300
88644-13-7 O=C(O)C3N2C(=O)C(NC(=O)C(NS(=O)(=O)C)c1ccccc1)C2SC3(C)(C)~    0.950
88671-89-0 N#CC(c1ccc(cc1)Cl)(Cn2ncnc2)CCCC~    2.940
88678-67-5 n1c(OC)cccc1N(C(Oc2cccc(c2)C(C)(C)C)=S)C~    5.180
88695-07-2 O=C1Nc3cc(ccc3(C(=NC1)c2c(F)cccc2(F)))Cl~    2.880
88695-10-7 O=C1N(c3ccc(N)cc3(C(=NC1)c2ccccc2))CC~    1.810
88695-11-8 O=C1N(c3ccc(cc3(C(=NC1C)c2ccccc2Cl))Cl)C~    3.400
88695-12-9 O=C1N(c3ccc(N)cc3(C(=NC1)c2ccccc2))CSC~    1.920
88695-13-0 O=C1N(c3ccc(N)cc3(C(=NC1(O))c2ccccc2))COC~    0.750
88854-59-5 O=C(OCC5C=2C(=O)C(Nc1cnc(N)cc1)=C(C(=O)C=2N4CC3NC3C45(OC))C)N~   -0.320
88854-60-8 O=C(OCC5C=2C(=O)C(Nc1nc(c(C)s1)C)=C(C(=O)C=2N4CC3NC3C45(OC))C)N~    1.290
88854-64-2 O=C(OCC5C=2C(=O)C(Nc1cc(ns1)C)=C(C(=O)C=2N4CC3NC3C45(OC))C)N~   -0.300
88946-19-4 O=S(=O)(NC)c2nc1ccc(OCC)cc1s2~    2.590
88946-20-7 O=S(=O)(N)c2nc1ccc(cc1s2)Cl~    2.100
89016-31-9 O=C1OCC(=C1)C4C(O)CC5(O)(C6CCC3CC(OC2OC(C)C(O)C(OC)C2)CCC3(C)C6(CCC45(C)))~    0.590
89073-49-4 O=C2c1[nH]c(nc1N(C(=O)N2CC)CC)c3ccc(cc3)S(=O)(=O)NCCN(C)C~    2.570
89073-58-5 O=C2c1[nH]c(nc1N(C(=O)N2CCC)CCC)c3ccc(cc3)S(=O)(=O)NCCN(C)C~    3.320
89145-31-3 O=C(OCC)NC2=NCC(c1ccc(F)cc1)N2C~    1.900
89145-43-7 O=C(OCC)NC2=NCC(c1ccc(cc1)CO)N2C~    0.840
89145-44-8 O=Cc1ccc(cc1)C2N(C(=NC2)NC(=O)OC)C~    0.740
89145-54-0 O=C(OC)NC2=NCC(c1cc(ccc1Br)Br)N2C~    2.770
89145-58-4 O=C(OC)NC2=NCC(c1cccc(c1)Cl)N2C~    2.100
89164-73-8 O=C1c6cccc(OC)c6(C(=N)c2c(O)c5c(c(O)c12)CC(O)(CC5(OC4OC(C)C(O)C(N3CCOCC3)C4))C(O)CO)~    1.430
89164-74-9 N#CC1N(CCOC1)C6CC(OC3c2c(O)c4C(=O)c5c(OC)cccc5(C(=O)c4(c(O)c2CC(O)(C(=O)C)C3)))OC(C)C6(O)~    2.590
89164-77-2 N#CC1N(CCOC1)C6CC(OC3c2c(O)c4C(=O)c5c(OC)cccc5(C(=O)c4(c(O)c2CC(O)(C3)C(O)CO)))OC(C)C6(O)~    1.560
89196-07-6 N#CC1N(CCOC1)C6CC(OC3c2c(O)c4C(=O)c5c(OC)cccc5(C(=O)c4(c(O)c2CC(O)(C(=O)CO)C3)))OC(C)C6(O)~    1.980
89242-75-1 C#CCC(O)c1cnccc1~    1.210
89242-77-3 C#CCC(O)(c1cnccc1)CC#C~    1.290
89242-78-4 C#CCC(O)(c1cnccc1)Cc2ccccc2~    1.870
89242-79-5 C#CCC(O)(c1cnccc1)C2CCCCC2~    2.090
89242-81-9 C#CCC(O)(c1cnccc1)c2ccccc2~    1.670
89242-82-0 Fc1ccc(cc1)C(O)(c2cnccc2)CC#C~    1.780
89242-84-2 C#CCC(O)(c1cnccc1)c2ccc(cc2Cl)Cl~    2.290
89242-85-3 C#CCC(O)(c1cnccc1)c2ccc(c(c2)Cl)Cl~    2.420
89242-87-5 C#CCC(O)(c1cnccc1)c2ccc(cc2)C~    1.830
89242-89-7 C#CCC(O)(c1cnccc1)c2ccc3ccccc3(c2)~    2.140
89246-39-9 O=C(Nc1ccc(cc1)C(=O)C)Cc2ccccc2~    2.750
89529-99-7 O=C(N)c1ccc(N=NN(C)CCC)cc1~    2.170
89530-00-7 O=C(N)c1ccc(N=NN(C)CCCCCC)cc1~    3.690
89530-01-8 O=C(N)c1ccc(N=NN(C)CCCCCCC)cc1~    4.200
89599-01-9 O=S(=O)(N)c1cccc(c1)Br~    1.350
89674-85-1 C1=C(CC(C(C1Cl)Cl)Cl)Cl~    3.630
89690-76-6 O=[N+]([O-])c1ncc(nc1)NC(CO)C(O)CO~   -0.890
89770-25-2 O=C(c2ccnc1cc(ccc12)Cl)C~    2.620
89770-26-3 O=[N+]([O-])c2cccc1c2(nccc1(N))~    1.310
89770-27-4 O=C(Nc2ccnc1cc(ccc12)Cl)CC~    2.730
89770-28-5 O=[N+]([O-])c2cccc1c2(nccc1(OC))~    1.920
89770-29-6 O=S(=O)(c1ccc2ncccc2(c1))C~    0.700
89770-30-9 O=S(=O)(c1ccccc1)c2ccc3ncccc3(c2)~    2.570
89770-31-0 O=S(=O)(N)c1ccc2ncccc2(c1)~    0.560
89770-32-1 n1cccc2ccc(cc12)N(C)C~    2.710
89770-33-2 O=S(=O)(c1ccccc1)c3cccc2cccnc23~    2.330
89770-34-3 n1ccnc2cc(OCC)ccc12~    2.220
89770-37-6 O=C(c1nnc2ccccc2(c1))C~    1.440
89770-38-7 O=C(OCC)c1nnc2cc(ccc2(c1))CC~    2.310
89770-39-8 n2nc1ccc(cc1c(c2)C)Cl~    1.960
89770-40-1 n2nc1cc(ccc1c(c2)C)Cl~    1.980
89770-41-2 n2nc1c(cccc1C)c(N)c2~    1.570
89789-53-7 O=C(c1ccc[nH]1)CCCC~    2.420
89893-97-0 O=C(O)COc1ccc(c(c1)I)Cl~    3.100
89937-38-2 OC(C)CN(c1nnc(cc1)Nn2c(ccc2C)C)C~    1.730
89937-39-3 O=C(N(c1nnc(cc1)N2CCOCC2)n3c(ccc3C)C)C~    1.640
89937-40-6 n1nc(ccc1Nn2c(ccc2C)C)N3C(C)COCC3C~    2.590
90037-19-7 O=C1C(O)=CC=CN1CC~    0.200
90037-20-0 O=C1C(O)=CC=CN1CCC~    0.690
90047-59-9 C=CCN2CCc1cccc(c1CC2)Cl~    3.300
90110-78-4 O=C(Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-])C~    0.560
90147-18-5 O=C(OCCC)C=Cc1oc(cc1)[N+](=O)[O-]~    2.670
90147-21-0 O=C(OC(C)C)C=Cc1oc(cc1)[N+](=O)[O-]~    2.640
90197-63-0 O=C1NC(=O)C(C(=O)N1)C(C)(C)C~    0.280
90355-74-1 O=C1NC(=O)C(C)(CC)CC1~    0.230
90426-03-2 O=C(Nc1ccc(cc1C)[N+](=O)[O-])c2cc(cc(c2(O))Cl)Cl~    4.510
90426-05-4 O=C(Nc1ccc(cc1[N+](=O)[O-])Cl)c2cc(cc(c2(O))Cl)Cl~    5.080
90467-89-3 N#CN=[N+]([O-])c1ncccc1~    0.530
90507-19-0 ON=Cc1nnc(o1)c2ccccc2~    2.030
90507-20-3 ON=Cc1nc(no1)c2ccccc2~    2.720
90507-21-4 ON=Cc1nc(no1)C~    0.470
90507-24-7 ON=C(c1nsnc1)SCCN(CC)CC~    0.740
90597-22-1 O=C1N=C(N)C=CN1C2C=C(CO)C(O)C2(O)~   -2.450
90656-45-4 O=C(O)c2ccc(cc2(Nc1ccc(cc1)Cl))Cl~    4.970
90663-30-2 O=C(NCCCCN)c1ccccc1(OC)~    0.580
90700-03-1 O=C(O)c2ccc(cc2(Nc1ccc(cc1)I))Cl~    5.370
90873-90-8 O=C(Nc1ccccc1S(=O)(=O)N)C(C)C~    0.970
90914-81-1 O=C(Nc1ccc(c(c1)C)Br)C~    2.800
90936-47-3 O(c1cc(cc(c1)Cl)Cl)[Si]23(OCCN(CCO2)CCO3)~    1.220
90936-52-0 O(c1cccc(N)c1)[Si]23(OCCN(CCO2)CCO3)~   -1.150
90936-53-1 O(c1ccc(cc1)CC)[Si]23(OCCN(CCO2)CCO3)~    0.560
90955-56-9 O(c1cc(cc(c1)C)C)[Si]23(OCCN(CCO2)CCO3)~    0.460
90982-32-4 O=C(OCC)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(OC)cc(n2)Cl~    2.500
91027-93-9 O=[N+]([O-])c1nc(n(c1Cl)C)C~    0.340
91027-94-0 O=[N+]([O-])c1c(nc(n1C)C)Cl~    0.870
91134-58-6 O=C(OCC(C)C)C=Cc1oc(cc1)[N+](=O)[O-]~    3.140
91350-72-0 O=C(OCCc2c[nH]c1ccccc12)N~    1.690
91374-21-9 O=C2Nc1cccc(c1C2)CCN(CCC)CCC~    2.700
91430-64-7 O=C1NC(=O)C(C(=O)N1)(CC=C)C(C)(C)C~    1.640
91431-42-4 O=C(Oc1c(OC)c(OC)c(OC(=O)C)c2cc(ccc12)Cl)C~    3.260
91564-01-1 O=C(OCCCc1ccccc1)N(C)C~    2.930
91595-86-7 N1=C(OC(C1)CN3CCN(c2ccccc2)CC3)N~    0.850
91642-47-6 O=C(OCCCCC)C=Cc1oc(cc1)[N+](=O)[O-]~    3.400
91814-09-4 O=C(Oc1c(OC)c(OC)c(OC(=O)C(C)(C)C)c2ccccc12)C(C)(C)C~    5.690
91814-10-7 O=C(Oc2c(OC)c(OC)c(OC(=O)C)c1c2(cccc1Cl))C~    3.160
91814-12-9 O=C(Oc1c(OC)c(OC)c(OC(=O)C)c2cc(F)ccc12)C~    2.750
91814-13-0 O=C(Oc1c(OC)c(OC)c(OC(=O)C)c2cc(ccc12)Br)C~    3.390
91814-24-3 O=C(Oc1c(OC)c(OC)c(OC(=O)C)c2c(OC)cccc12)C~    2.430
91814-29-8 N#Cc1cccc2c(OC(=O)C)c(OC)c(OC)c(OC(=O)C)c12~    2.510
91814-30-1 N#Cc1ccc2c(OC(=O)C)c(OC)c(OC)c(OC(=O)C)c2(c1)~    2.280
91814-31-2 O=C(Oc1c(OC)c(OC)c(OC(=O)C)c2cc(ccc12)NC(=O)C)C~    2.000
91814-40-3 O=C(Oc1c(OC)c(OC)c(OC(=O)C)c2cc(OC)ccc12)C~    2.390
91814-42-5 O=C(Oc1c(OC)c(OC)c(OC(=O)C)c2cc(ccc12)C)C~    2.860
91814-56-1 O=C(Oc1c(OC)c(OC)c(OC(=O)CC)c2ccccc12)CC~    3.440
91814-58-3 O=C(Oc1c(OC)c(OC)c(OC(=O)C(C)C)c2ccccc12)C(C)C~    4.610
91833-49-7 n1cccc2c1OC(CN(C2=S)C)CCN(C)C~    1.080
92287-70-2 O=C(NCC)c1oc2ccccc2(c1)~    2.220
92598-81-7 O=C(OC(c1ccccc1)C)C(CC)C(CO)Cc2cncn2C~    2.230
92598-82-8 O=C(OCc1ccccc1)C(CC)C(CO)Cc2cncn2C~    1.970
92598-86-2 O=C(OCCc1ccccc1)C(CC)C(CO)Cc2cncn2C~    2.310
92598-89-5 O=C(OCc1ccc(cc1)Cl)C(CC)C(CO)Cc2cncn2C~    2.690
92598-92-0 O=C(OCc1ccccc1C)C(CC)C(CO)Cc2cncn2C~    2.420
92598-93-1 O=C(OCc1ccc(cc1)C)C(CC)C(CO)Cc2cncn2C~    2.460
92598-94-2 O=C(OCC(Cc1cncn1C)C(C(=O)OCc2ccc(cc2)C)CC)c3ccccc3~    4.850
92598-95-3 O=C(OCC(Cc1cncn1C)C(C(=O)OCc2ccc(cc2)C)CC)CCC~    4.330
92598-97-5 O=C(OCC(Cc1cncn1C)C(C(=O)OCc2ccc(cc2)C)CC)C~    3.310
92598-99-7 O=C(OCc1ccc(cc1)C(C)(C)C)C(CC)C(CO)Cc2cncn2C~    3.670
92622-07-6 O=C(OCC(Cc1cncn1C)C(C(=O)OCc2ccccc2)CC)Cc3ccccc3~    4.000
92627-83-3 O=C(OCC(Cc1cncn1C)C(C(=O)OCc2ccccc2)CC)c3cnccc3~    3.050
92817-12-4 FC3CC2C4CCc1cc(O)ccc1C4(CCC2(C)C3(O)(C#C))~    3.300
92854-81-4 O=C(Oc1ccc(cc1)N(C(=O)C(Cl)Cl)C)c2ccccc2~    2.560
92897-88-6 N=1OC3COC(OCC3(C=1c2ccccc2))c4ccccc4~    2.880
92901-23-0 O=C1C=CC4(C(=C1)CCC3C5CC(C)C(O)(C(=O)COC2OC(CO)C(O)C(O)C2(O))C5(C)(CC(O)C34(F)))(C)~    0.490
92901-25-2 O=C4C=C3CCC2C5CCC(O)(C(=O)COC1OC(CO)C(O)C(O)C1(O))C5(C)(CC(O)C2C3(C)CC4)~    0.150
92901-27-4 O=C1C=CC5(C(=C1)CCC4C6CCC(O)(C(=O)COC3OC(CO)C(OC2OC(CO)C(O)C(O)C2(O))C(O)C3(O))C6(C)(CC(O)C45))(C)~   -0.560
93276-61-0 O=S(c3ccc(c1nc2NCCCn2(c1))c(OC)c3)C~    0.630
93371-36-9 O=C(O)C(c1ccc(cc1)c2ccccc2)C(O)C~    2.780
93371-38-1 O=C(O)C(c1ccc(cc1)c2ccccc2)C(O)CCC~    3.750
93371-46-1 O=C(O)C(c1ccc(cc1)c2ccccc2)C(O)c3ccc(OC)cc3~    3.590
93371-50-7 O=C(O)C(c1ccc(cc1)c2ccccc2)C(O)c3ccccc3(F)~    3.770
93371-51-8 O=C(O)C(c1ccc(cc1)c2ccccc2)C(O)c3cccc(F)c3~    3.310
93371-56-3 O=C(O)C(c1ccc(cc1)c2ccccc2)C(O)C(C)C~    3.840
93414-39-2 O=Cc2ccc(OCCOC(=O)C=Cc1ccccc1(OC))c(OC)c2~    3.650
93414-42-7 O=Cc2ccc(OCCOC(=O)c1cccc(c1)Cl)c(OC)c2~    3.670
93414-45-0 O=C(OCCOc1ccc(C=NO)cc1(OC))c2ccc(cc2)Cl~    3.920
93414-47-2 O=C(OCCOc1ccc(C=NO)cc1(OC))c2cccc(c2)Cl~    3.940
93414-55-2 O=C(OCCOc1ccc(C=NOCC(=O)OCC)cc1(OC))c2cc(OC)c(OC)c(OC)c2~    3.260
93414-58-5 O=C(NCC1CN(CC=C)CC1)c2cc3[nH]nnc3(cc2(OC))~    0.950
93414-60-9 O=C(NCCN(CC)CC)c1cc(c(N)cc1(OC))I~    3.090
93414-63-2 O=C(NCC1CN(CC)CC1)c2cc(ccc2(OC))S(=O)(=O)CC~    1.310
93414-65-4 O=C(NCCN(CC)CC)c1cc(c(N)cc1(OC))S(=O)(=O)CC~    1.700
93450-05-6 O=C(OCCN1CCCCC1)Nc2ccccc2COCCCCC~    4.420
93450-24-9 O=C(OCCN1CCCCC1)Nc2cccc(c2)COCCCCC~    4.200
93450-34-1 O=C(OCCN1CCCCC1)Nc2ccccc2COCCCC~    3.940
93476-51-8 O=C2N(c1cccc(c1)C)C(=O)CC2~    0.570
93484-23-2 N=C(N)NN=C(C)CCCCCC~    2.080
93677-64-6 O=C(OCC(C)C)N(CC)CC~    2.820
94011-82-2 N#Cc2cc(nnc2(NCCN1CCOCC1))c3ccccc3~    1.890
94050-52-9 O=C(NC(=O)c1c(F)cccc1(F))Nc2ccc(cc2)CON=C(c3ccc(cc3)Cl)C4CC4~    6.940
94089-22-2 n1ccnc(c1OC(C)C)C~    2.240
94470-73-2 O=C(OC)Nc1nonc1C~    0.420
94563-11-8 N#Cc1ccc(cc1)NC(=O)OC~    1.820
94593-91-6 O=C(Nc1nc(nc(n1)OC)OC)NS(=O)(=O)c2ccccc2(OCCOC)~    2.040
94641-10-8 O=[N+]([O-])c1ccc2nc(sc2(c1))S(=O)(=O)N~    1.360
94779-66-5 O=C1NC(=O)C(C(=O)N1C)(C2=CCCC2)CC=C~    1.890
94921-29-6 Oc1cccc2c1CCC3N(CCOC23)CCC~    2.220
95215-85-3 O=C1C=CN(C(=C1(O))C)CCCCO~   -0.740
95261-40-8 O=C(OCC(C)C)Nc1ccc(OCC)c(OCC)c1~    3.360
95261-60-2 O=C(OCCOC)Nc1ccc(OCC)c(OCC)c1~    2.270
95261-65-7 O=C(OCc1ccccc1)Nc2ccc(OCC)c(OCC)c2~    3.290
95266-40-3 O=C(OCC)C1CC(=O)C(C(=O)C1)=C(O)C2CC2~    1.600
95333-49-6 Fc1cc(ccc1(O))CN2C=CNC2=S~    1.120
95333-60-1 Fc1cc(cc(F)c1(O))CN2C=CNC2=S~    1.080
95333-64-5 Oc1ccc(cc1)CN2C=CNC2=S~    1.020
95333-80-5 Fc1ccccc1CN2C=CNC2=S~    1.770
95384-53-5 O=C(Nc1cccc(c1)NC)Cc2ccccc2~    2.310
95384-54-6 O=C(Nc1cccc(c1)NCC)Cc2ccccc2~    2.590
95384-55-7 O=C(Oc1cccc(c1)NC(=O)Cc2ccccc2)C~    2.370
95384-56-8 O=C(Nc1cccc(OS(=O)(=O)C)c1)Cc2ccccc2~    2.320
95384-57-9 O=C(Nc1ccc(O)cc1)Cc2ccccc2~    1.820
95384-59-1 O=C(Nc1ccccc1(N))Cc2ccccc2~    1.450
95457-68-4 O=[N+]([O-])c1oc(cc1)C=CS(=O)(=O)c2ccccc2~    1.880
95465-99-9 O=P(OCC)(SC(C)CC)SC(C)CC~    3.900
95579-17-2 n1oc2c(c1OC)CNCC2~   -0.040
95579-22-9 n1oc2c(c1OC)CN(C)CC2~    0.400
95599-36-3 O=S(=O)(N)c2nc1ccc(OCCO)cc1s2~    0.590
95635-46-4 O=C(Nc1cc(c(cc1(F))Br)[N+](=O)[O-])C~    2.110
95715-61-0 O=C(N(CC)CC)CC1CCCCC1~    3.120
95796-50-2 O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CC)(C(=O)CCl)C4(C)(CC(O)C23))(C)~    3.340
95796-51-3 O=C1C=CC4(C(=C1)CCC3C4(C(=O)CC2(C)(C3(CC(C)C2(OC(=O)CC)(C(=O)CCl)))))(C)~    3.300
96000-43-0 O=C(OCc2c1C(=O)C(OC)=CC(=O)c1n3c2C(OC(=O)C)CC3)NC~    1.190
96000-44-1 O=C(OCc2c1C(=O)C(OC)=C(C(=O)c1n3c2C(OC(=O)C)CC3)Cl)NC~    2.080
96000-46-3 O=C(OCc2c1C(=O)C(OC)=C(C(=O)c1n3c2C(OC(=O)C)CC3)C)NC~    2.390
96000-47-4 O=C(OCc2c1C(=O)C(=CC(=O)c1n3c2C(OC(=O)C)CC3)N4CCCC4)NC~    1.400
96000-48-5 O=C(OCc2c1C(=O)C(N)=C(C(=O)c1n3c2C(OC(=O)C)CC3)Br)NC~    1.150
96107-02-7 O=C(C=Cc1ccc(OC)cc1)C(F)(F)F~    3.330
96237-91-1 O=C(N)c1c(cccc1Br)Br~    1.000
96258-78-5 O=[N+]([O-])c1ncn(c1I)CC(O)COC~    0.410
96258-79-6 O=[N+]([O-])c1c(ncn1CC(O)COC)I~    0.890
96258-81-0 O=C(OCC)Cn1cnc(c1[N+](=O)[O-])I~    0.930
96258-83-2 O=C(NCc1cnccc1)Cc2nc(c([nH]2)[N+](=O)[O-])I~    0.880
96327-32-1 O=C(c1cccc(c1)C)c2ccc3n2CCC3(C(=O)O)~    3.230
96327-34-3 O=CC1=CC=C3N(c2cc(ccc12)Br)CCC3(C(=O)O)~    3.600
96327-38-7 O=C(O)C3c2ccc(C(=O)c1ccc(OC(C)C)cc1)n2CC3~    3.380
96327-39-8 O=C(O)C3c2ccc(C(=O)c1ccc(OCC=C)cc1)n2CC3~    3.480
96327-51-4 O=C(O)C3c2ccc(C(=O)c1cccc(c1)C(F)(F)F)n2CC3~    3.690
96327-52-5 O=C(O)C3c2ccc(C(=O)c1ccc(cc1)C(F)(F)F)n2CC3~    3.710
96327-56-9 O=C(O)C3c2ccc(C(=O)c1c(F)cccc1(F))n2CC3~    2.470
96327-57-0 O=C(O)C3c2ccc(C(=O)c1ccc(F)cc1(F))n2CC3~    2.590
96327-58-1 O=C(c1ccc(cc1Cl)Cl)c2ccc3n2CCC3(C(=O)O)~    3.560
96327-61-6 O=C(c1ccc(cc1)c2ccccc2)c3ccc4n3CCC4(C(=O)O)~    4.270
96327-63-8 O=C(O)C3c2ccc(C(=O)C1CCC1)n2CC3~    2.410
96327-65-0 O=C(O)C3c2ccc(C(=O)Cc1ccccc1)n2CC3~    2.520
96337-67-6 N#Cc1cccc(c1)NC(=O)N(OC)C~    1.330
96358-98-4 O=C(OCC(=C)C)C1C(C=C(C)C)C1(C)(C)~    4.890
96382-70-6 N#CC(C#N)=NNc1cccc(O)c1~    2.280
96445-34-0 O=C2c1[nH]c(nc1N(C(=O)N2CCC)CCC)c3ccccc3(N)~    3.540
96448-66-7 O=C(OCOC(=O)C(C)(C)C)C4=C(CSc1nnnn1C)CSC3N4(C(=O)C3(NC(=O)Cc2nc(N)sc2))~    1.360
96452-92-5 O=C(OCOC(=O)C(C)(C)C)C4=C(CSc1nncs1)CSC3N4(C(=O)C3(NC(=O)Cn2nnnc2))~    1.450
96474-17-8 O=S(=O)(N)c2nc1c(cc(cc1s2)Cl)Cl~    2.600
96474-18-9 O=S(=O)(N)c3nc2ccc(OCc1ccccc1)cc2s3~    3.180
96474-19-0 O=C(Nc1ccc2nc(sc2(c1))S(=O)(=O)N)C~    0.860
96489-71-3 O=C1C(=C(C=NN1C(C)(C)C)SCc2ccc(cc2)C(C)(C)C)Cl~    6.370
96491-05-3 O=C(N(c1c(cccc1C)C)Cc2c(OC)ccs2)CCl~    3.530
96662-66-7 O=C(NC1CC(NC(C)(C)C1)(C)C)NP(=O)(N2CC2)N3CC3~   -0.800
96841-03-1 N#CC(=Cc1oc(cc1)Cl)C(=O)OC~    2.400
96850-25-8 Oc1ccccc1CCCCCCCCCCCCC~    8.610
96914-10-2 O=C(OCC)CC(CO)C(c1cncn1C)CC~    0.730
96914-11-3 O=C(OCCCCCC)C(CC)C(CO)Cc1cncn1C~    2.710
97055-06-6 O=C(Nc1c(cccc1CC)C)C~    1.410
97141-29-2 O=C(Nc1cc(ccc1S(=O)(=O)N)C)C(C)C~    1.450
97141-30-5 O=C(Nc1cc(ccc1S(=O)(=O)N)C(F)(F)F)C(C)C~    2.450
97141-31-6 O=C(Nc1cc(OC)ccc1S(=O)(=O)N)C(C)C~    1.370
97141-33-8 O=C(Nc1cc(ccc1S(=O)(=O)N)C(F)(F)F)C(CC)CC~    3.060
97141-34-9 O=C(Nc1cc(OC)ccc1S(=O)(=O)N)C(CC)CC~    2.010
97141-35-0 O=C(Nc1cc(ccc1S(=O)(=O)N)Cl)C(CC)CC~    2.550
97183-44-3 N(NC(=Nc1ccccc1)N)=C(c2ccccc2)C~    2.180
97183-47-6 N(NC(=Nc1ccccc1)N)=C(C)CCCC~    2.050
97183-51-2 N=C(N)NN=C(CCC)CCC~    1.730
97383-42-1 O=C(OC)C1(CC1)S(=O)(=O)c2ccccc2~    1.430
97454-00-7 O=C(NCC=C)CN(C(=O)C(Cl)Cl)CC=C~    1.000
97461-38-6 O=C(OC(C)CC)C=Cc1oc(cc1)[N+](=O)[O-]~    3.090
97461-39-7 O=C(OC(C)(C)C)C=Cc1oc(cc1)[N+](=O)[O-]~    3.060
97461-40-0 O=C(C=Cc1oc(cc1)[N+](=O)[O-])NC(C)CC~    2.280
97461-41-1 O=C(C=Cc1oc(cc1)[N+](=O)[O-])NCC(C)(C)C~    2.610
97713-49-0 O=C(O)c2ccc(cc2(Nc1cccc(c1)Br))Cl~    5.160
97871-45-9 O=C(C=C(c1ccccc1)Br)NC(C)CC~    3.110
97871-48-2 O=C(NC(C)CC)C(=Cc1ccccc1)Cl~    2.750
97871-51-7 O=C(NC(C)CC)C(=Cc1ccccc1)C~    2.880
97871-52-8 O=C(C=C(c1ccccc1)SC)NC(C)CC~    3.030
97871-53-9 O=C(NC(C)CC)C(OC)=Cc1ccccc1~    2.860
97871-54-0 O=C(NC(C)CC)C(=Cc1ccccc1)NC(=O)C~    1.760
97871-56-2 O=C(NC(C)CC)C(=Cc1ccccc1)SCC~    3.400
97871-59-5 O=C(NC(C)CC)C(=Cc1ccccc1)Sc2ccccc2~    4.360
97871-60-8 O=C(NC(=Cc1ccccc1)C(=O)NC(C)CC)c2ccccc2~    2.470
97871-64-2 O=C(C=C(c1ccc(cc1)Cl)CCC)NC(C)CC~    4.870
97871-65-3 O=C(C=C(c1ccc(cc1)Cl)C(C)C)NC(C)CC~    4.030
97871-66-4 O=C(C=C(c1ccccc1)c2ccc(cc2)Cl)NC(C)CC~    4.460
97871-67-5 O=C(C=C(c1ccc(cc1)Cl)Cl)NC(C)CC~    3.610
97871-68-6 O=C(C=C(c1ccc(cc1)Cl)Br)NC(C)CC~    3.900
97874-69-6 N#CC(C(=O)OCCOCC)=C(NCc1ccc(cc1)[N+](=O)[O-])CC~    2.640
98006-91-8 N#Cc1ncc(nc1)C~    0.260
98079-47-1 O=C(O)C1=CN(c2cc(c(F)cc2(C1(=O)))N3CCNC(C)C3)CC~    0.340
98079-51-7 O=C(O)C1=CN(c2c(F)c(c(F)cc2(C1(=O)))N3CCNC(C)C3)CC~   -0.300
98087-97-9 n1ccc(cc1NCCCc2ccccc2)c3nc(n[nH]3)N~    3.050
98106-17-3 O=C(O)C2=CN(c1ccc(F)cc1)c3cc(c(F)cc3(C2(=O)))N4CCN(C)CC4~    0.890
98134-74-8 n1ncc(OCC)cc1~    0.200
98154-93-9 O=C(OC(C)Cc1ccccc1)N(C)C~    2.600
98154-95-1 O=C(OCCc2c[nH]c1ccccc12)N(CC)CC~    3.300
98154-96-2 O=C(OCCCc1cnccc1)N~    0.460
98154-98-4 O=C(OCCCc1ncccc1)N(CC)CC~    2.360
98154-99-5 O=C(OCC(CC)CC)N(C)C~    2.870
98155-00-1 O=C(OCC(CC)CC)N(CC)CC~    3.600
98183-16-5 O=C(OCCc1ccccc1)N(C)C~    2.400
98183-17-6 O=C(OCCc1ccccc1)N(CC)CC~    3.200
98204-04-7 O=C(OCn2ncc1C(=O)NC=Nc12)C(N)c3ccccc3~   -0.150
98204-05-8 O=C(OCn2ncc1C(=O)NC=Nc12)C(N)Cc3ccccc3~    0.400
98204-06-9 O=C(OCn2ncc1C(=O)NC=Nc12)C(N)CC(C)C~    0.190
98204-09-2 O=C(OCn2ncc1C(=O)NC=Nc12)CN(CCC)CCC~    1.270
98270-76-9 N=3c1ccccc1N(c2ccc(cc2)Cl)C4=CC(=NCCCN(CC)CC)C(=CC=34)Nc5ccc(cc5)Cl~    8.050
98319-26-7 O=C1C=CC4(C)(C(N1)CCC2C4(CCC3(C)(C(C(=O)NC(C)(C)C)CCC23)))~    3.030
98378-56-4 O=C(NCCCCCC)c1ccc(O)c(O)c1~    2.710
98417-01-7 O=C(c1no[n+]([O-])c1C)C~    0.800
98486-60-3 O=C(N(CCC)C(C)C)C~    1.480
98547-26-3 O=C(NCC)c1cccs1~    1.180
98736-45-9 O=NN(C)Cc1cccc(OC)c1~    1.600
98736-46-0 O=NN(C)Cc1cccc(c1)Cl~    1.460
98736-50-6 O=NN(C)Cc1ccc(cc1)Br~    1.570
98736-51-7 O=NN(C)Cc1ccc(cc1)C(=O)OC~    1.210
98736-52-8 O=NN(C)Cc1cccc(c1)[N+](=O)[O-]~    1.170
98827-15-7 O=C2NC=Nc1nn(cc12)COC(=O)C(C)(C)C~    0.790
98827-16-8 O=C(OCn2ncc1C(=O)N(C=Nc12)COC(=O)C(C)(C)C)C(C)(C)C~    2.500
98827-19-1 O=C(OCn2ncc1C(=O)N(C=Nc12)COC(=O)CCC)CCC~    1.820
98827-21-5 O=C(OCn2ncc1C(=O)NC=Nc12)CCC~    0.600
98827-22-6 O=C(OCn1nc2N=CNC(=O)c2(c1))CCC~    0.330
98846-65-2 O=C(OCn2ncc1C(=O)NC=Nc12)c3ccccc3~    1.500
98846-66-3 O=C(OCn2ncc1C(=O)NC=Nc12)c3cnccc3~    0.270
98886-44-3 O=C1N(CCS1)P(=O)(OCC)SC(C)CC~    1.680
99027-00-6 O=C(N)C(NC(=O)C(NC(=O)C)Cc1ccc(O)cc1)C(C)C~   -0.200
99035-19-5 O=C1N=C(NC1)NCCSCc2[nH]cnc2C~   -0.500
99035-20-8 O=C2C=CNC(NCCSCc1[nH]cnc1C)=C2[N+](=O)[O-]~   -0.200
99035-21-9 O=C2C(=O)C(NCCSCc1[nH]cnc1C)=C2(NC)~   -0.080
99069-47-3 O=C(N)CC(n2nnc1ccccc12)C~    0.750
99081-87-5 [O-][N+](=Cc1c(cccc1Cl)Cl)c2ccccc2~    2.160
99081-88-6 [O-][N+](=Cc1ccc(cc1)C(C)C)c2ccccc2~    3.370
99167-62-1 O=C1NC(NC(=O)C1(CCC)CCC)=S~    2.660
99167-69-8 O=C1NC(=O)C(C(=O)N1)(C(C)C)C(C)C~    1.560
99310-47-1 O=C(Nc1ccc(c(c1Cl)Cl)Cl)C~    2.880
99607-70-2 O=C(OC(C)CCCCC)COc1ccc(c2cccnc12)Cl~    5.030
99726-76-8 O=C(O)C1=CN(c2c(F)c(c(F)cc2(C1(=O)))N3CCNCC3)CC~   -0.570
99764-47-3 ON=Cc1nc(no1)C(C)(C)C~    2.150
99854-42-9 O=C(Oc1ccc(cc1)N(C(=O)C(Cl)Cl)C)C~    1.560
99877-03-9 O=C(OCC(O)C)C(N)Cc1ccc(O)c(O)c1~   -0.490
99877-04-0 O=C(OC(C)COC)C(N)Cc1ccc(O)c(O)c1~    0.080
99877-06-2 O=C(OCC1OCCCC1)C(N)Cc2ccc(O)c(O)c2~    0.470
99877-08-4 O=C(OCCc1ccccc1)C(N)Cc2ccc(O)c(O)c2~    1.760
99877-09-5 O=C(OCCc1ccc(cc1)Cl)C(N)Cc2ccc(O)c(O)c2~    2.330
100199-35-7 OC3(c1ccccc1Cl)(CCCCC3(n2ncnc2))~    2.680
100199-38-0 OC3(c1cc(ccc1Cl)Cl)(CCCCC3(n2ncnc2))~    3.240
100400-78-0 O=C1N(C(=O)CCCCCC)CCC1~    3.040
100515-03-5 n1cc(c(nc1N)N)Cc2cc(OCC)cc(OCC)c2~    2.520
100640-32-2 O=C(NCCN2CCN(c1ccccc1(OC))CC2)C3CCCCC3~    2.800
100668-11-9 O=C(C=Cc1ccc(O)c(O)c1)NCCCCCC~    3.370
100668-21-1 Oc1ccc(C=CCCCC)cc1(O)~    3.820
100754-93-6 O=C(O)Cc2ccccc2(Nc1c(F)cccc1Cl)~    3.800
100853-65-4 O=P(NN=Cc1ccc(cc1)Cl)(N2CC2)N3CC3~    0.130
100853-67-6 O=P(NN=Cc1ccc(OC)cc1)(N2CC2)N3CC3~    0.420
100853-68-7 O=[N+]([O-])c3ccc(C=NNP(=O)(N1CC1)N2CC2)cc3~    0.450
100853-69-8 O=P(N(N=Cc1ccccc1)C)(N2CC2)N3CC3~    0.510
100853-70-1 O=P(N(N=Cc1ccc(F)cc1)C)(N2CC2)N3CC3~    0.480
100853-71-2 O=P(N(N=Cc1ccc(cc1)Br)C)(N2CC2)N3CC3~    0.310
100853-72-3 O=P(N(N=Cc1ccc(OC)cc1)C)(N2CC2)N3CC3~    0.470
100853-74-5 O=P(N(N=Cc1ccccc1)c2ccccc2)(N3CC3)N4CC4~    0.560
100853-75-6 O=P(N(N=Cc1ccc(F)cc1)c2ccccc2)(N3CC3)N4CC4~    0.560
100853-76-7 O=P(N(N=Cc1ccc(OC)cc1)c2ccccc2)(N3CC3)N4CC4~    0.570
100853-77-8 O=[N+]([O-])c4ccc(C=NN(c1ccccc1)P(=O)(N2CC2)N3CC3)cc4~    0.570
100853-78-9 O=[N+]([O-])c1ccc(cc1)N(N=Cc2ccccc2)P(=O)(N3CC3)N4CC4~    0.570
100853-81-4 O=P(N(N=C(C)C)c1ccccc1)(N2CC2)N3CC3~    0.570
100853-82-5 O=P(N(N=Cc1ccc(cc1)Cl)c2ccccc2)(N3CC3)N4CC4~    0.350
100853-83-6 O=P(NN=Cc1ccc(F)cc1)(N2CC2)N3CC3~    0.450
100866-99-7 O=C(c1ccc(cc1)S(=O)(=O)c2ccc(N)cc2)C~    1.670
101048-47-9 N#Cc1ccc(C=CC(=O)C(F)(F)F)cc1~    2.420
101048-56-0 N#Cc1cccc(C=CC(=O)C(F)(F)F)c1~    2.450
101054-93-7 FC(F)(F)CC(O)C~    0.710
101063-92-7 O=C(O)CCC1=NS(=O)(=O)c2ccc(cc2(N1))Cl~    0.720
101063-95-0 O=C(O)CCC1=NS(=O)(=O)c2cc(cc(c2(N1))Br)Br~    1.350
101063-97-2 O=C(O)CCC1=NS(=O)(=O)c2ccc(OC)cc2(N1)~    0.180
101064-00-0 O=C(O)CCCC1=NS(=O)(=O)c2cc(ccc2(N1))Cl~    0.830
101064-01-1 O=C(O)CCCC1=NS(=O)(=O)c2cc(cc(c2(N1))Cl)Cl~    1.220
101064-02-2 O=C(O)CCCC1=NS(=O)(=O)c2cc(c(cc2(N1))Cl)Cl~    1.800
101064-03-3 O=C(O)CCCC1=NS(=O)(=O)c2cc(ccc2(N1))Br~    1.020
101064-05-5 O=C(O)CCCC1=NS(=O)(=O)c2ccc(cc2(N1))C~    0.330
101064-07-7 O=C(O)CCCC1=NS(=O)(=O)c2ccc(cc2(N1))C(F)(F)F~    1.240
101080-58-4 O=C(N)c1c(cccc1Cl)C~    0.890
101126-54-9 O=C2c3ccccc3(C(=O)C(CNCCOc1cc(c(O)cc1C(C)C)C)C2)~    4.250
101347-42-6 O(CC)CCOCCOP(N1CC1)(N2CC2)=S~    0.380
101398-30-5 N#CC(C#N)=NNc1ccccc1Br~    3.110
101398-31-6 N#CC(C#N)=NNc1ccccc1C(F)(F)F~    4.200
101398-33-8 N#CC(C#N)=NNc1cc(ccc1C)C~    3.080
101421-55-0 O=C(C=C)NCCCN(CCO)CCO~   -0.600
101533-57-7 N#Cc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2~    1.630
101533-58-8 O=C(c1ccc(cc1)S(=O)(=O)c2ccc(N)cc2)N(CC)CC~    1.440
101626-70-4 n1c(N)sc2c1CCN(CC=C)CC2~    1.480
101705-35-5 O=C(O)CCCCOc1cccc2ccccc12~    4.000
101705-36-6 O=C(O)CCCCCOc1cccc2ccccc12~    4.500
101708-63-8 O=C1NC(CC1)C2CCCN(=O)C2~   -1.010
101820-62-6 O=C(N)c1ccccc1(NCC(O)CO)~   -0.800
101820-63-7 O=C(N)c1ccccc1(NCC(O)C)~    0.620
101820-64-8 O=C(N)c1ccccc1(NCCOCCCC)~    2.270
101820-65-9 O=C(N)c1cc(ccc1(NCCOCCCC))Cl~    2.990
101881-19-0 O=C(OC)C1CC(=O)N(CCCCCCCCCCCC)C1~    4.000
102089-65-6 O=C(Nc1c(cccc1C)C)CCCN~    0.710
102089-66-7 O=C(Nc1c(cccc1C)C)CCCCN~    1.020
102089-67-8 O=C(Nc1c(cccc1C)C)CCCCCN~    1.290
102089-68-9 O=C(Nc1c(cccc1C)C)CCC(N)C~    1.080
102089-69-0 O=C(Nc1c(cccc1C)C)CCCCCN(CC)CC~    2.950
102151-07-5 OC(COc1ccc(cc1)c2nc(c[nH]2)c3cccs3)CNCCC~    2.840
102151-09-7 OC(COc1ccc(cc1)c2nc(c[nH]2)c3cccs3)CNCCOCC~    2.250
102151-10-0 OC(COc1ccc(cc1)c2nc(c[nH]2)c3cccs3)CNCCc4ccncc4~    2.250
102151-13-3 O=C(NCCNCC(O)COc1ccc(cc1)c2nc(c[nH]2)C)NCCCC~    1.240
102151-23-5 OC(COc1ccc(cc1)COCc2ncc[nH]2)CNCCc3ccc(OC)c(OC)c3~    1.290
102152-14-7 OC(COc1ccc(cc1(OC))c2nc(c[nH]2)C)CNCCc3ccc(OC)c(OC)c3~    1.890
102152-21-6 O=C(c1[nH]c(nc1C)c3ccc(OCC(O)CNCCc2ccc(OC)c(OC)c2)cc3)C~    2.140
102152-24-9 OC(COc1ccc(cc1)c2nc(c[nH]2)CCOC)CNCCc3ccc(OC)c(OC)c3~    2.060
102152-27-2 OC(COc1ccc(cc1)c2nc(c[nH]2)Cl)CNCCc3ccc(OC)c(OC)c3~    2.400
102152-28-3 O=C(OCC)c1nc([nH]c1)c3ccc(OCC(O)CNCCc2ccc(OC)c(OC)c2)cc3~    2.300
102262-55-5 N=C5C=C3C(=Nc1ccccc1N3(c2ccc(cc2)Cl))C=C5(Nc4ccc(cc4)Cl)~    6.470
102273-20-1 O=C(OCOc2ccccc2(C(=O)NCN1CCOCC1))CCC~    1.340
102273-21-2 O=C(OCOc2ccccc2(C(=O)NCN1CCOCC1))C(C)(C)C~    1.810
102273-25-6 O=C(OCOc1ccccc1(C(=O)N))C~    0.520
102281-28-7 OC(COc1ccc(cc1)c2nc(c[nH]2)COC)CNCCc3ccc(OC)c(OC)c3~    1.710
102362-14-1 O=S(c3ccc(c1nc2n(c1)CCNC2)c(OC)c3)C~    1.110
102408-27-5 n1cccc3c1ccc2c3(nc(n2C)N(C)C)~    2.280
102587-49-5 O=C(Nc1cccc(c1)CCc2ccccc2)N(C)C~    3.210
102587-50-8 n1c(nc(nc1NC2CCC2)Cl)NCC~    2.770
102587-54-2 n1c(nc(nc1NC(C)CCCCC)Cl)NCC~    4.740
102626-89-1 O=C(Nc1nonc1C)NC~    0.300
102632-22-4 O=C(Oc1c(OC)c(OC)c(OC(=O)C)c2cc(c(cc12)C)C)C~    3.140
103066-37-1 O=C2N(C(=O)C3C1C=CC(C1)C23)CCCCN5CCN(c4ncccn4)CC5~    1.360
103188-47-2 O=C(C=Cc1ccc(O)c(O)c1)NCCc2ccccc2~    2.720
103360-35-6 n1cc(c(nc1N)N)Cc2cc(ccc2(OC))I~    2.700
103361-09-7 O=C1C4=C(C(=O)N1c3cc2c(OCC(=O)N2CC#C)cc3(F))CCCC4~    2.550
103426-96-6 c1c2c(cc(c1Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl~    7.700
103450-89-1 N#CN(COC)C5CC(OC2c1c(O)c3C(=O)c4c(OC)cccc4(C(=O)c3(c(O)c1CC(O)(C(=O)C)C2)))OC(C)C5(O)~    2.640
103499-06-5 ON=Cc1nc(no1)Cc2ccccc2~    2.290
103499-08-7 ON=Cc1noc(n1)c2ccccc2~    2.400
103499-11-2 ON=C(c1nc(no1)c3cccc2ccccc23)SCCN(CC)CC~    3.870
103595-57-9 O=S(=O)(c1cc(OC)c(OC)c(OC)c1)CCN(C)Cc2ccccc2~    2.180
103620-84-4 N#CCN(CC(=O)O)C5CC(OC2c1c(O)c3C(=O)c4c(OC)cccc4(C(=O)c3(c(O)c1CC(O)(C(=O)C)C2)))OC(C)C5(O)~    0.030
103628-46-2 O=S(=O)(NC)Cc1ccc2[nH]cc(c2(c1))CCN(C)C~    0.930
103748-25-0 n1c(N)n(c2ccc(cc12)Cl)C~    2.090
103890-78-4 O=C(OC(C)(C)C)C=Cc1ccccc1C2C(C(=O)OCC)=C(NC(=C2(C(=O)OCC))C)C~    5.200
103951-39-9 O=C(OCOc1ccccc1(C(=O)N))CCC~    1.660
103970-46-3 O=C(OC)Nc1ccccc1I~    2.440
103981-92-6 O=C(NC1CC(C)(C)N(=O)C(C)(C)C1)NP(=O)(N2CC2(C)C)N3CC3(C)C~    0.440
103981-93-7 O=C(NC1CC(C)(C)N(=O)C1(C)(C))NP(=O)(N2CC2(C)C)N3CC3(C)C~    0.450
103981-94-8 O=C(NC1CC(N(O)C(C)(C)C1)(C)C)NP(=O)(N2CC2(C)C)N3CC3(C)C~    0.480
103981-96-0 O=C(NC1CC(N(O)C1(C)(C))(C)C)NP(=O)(N2CC2(C)C)N3CC3(C)C~    0.510
103981-97-1 O=C(NC1CC(NC(C)(C)C1)(C)C)NP(=O)(N2CC2(C)C)N3CC3(C)C~    0.550
104076-38-2 n2c1ccccc1sc2NCCCOc3cccc(c3)CN4CCCCC4~    5.410
104151-78-2 O=C(OC)c1c(no[n+]1([O-]))C~    0.690
104151-90-8 O=C(OC)c1no[n+]([O-])c1C~    0.560
104182-04-9 O=C(c1ccc(F)cc1)CCN3CCC(O)(c2ccc(cc2)Cl)CC3~    3.240
104294-16-8 O(c1ccc(cc1Cl)Cl)c2c(cc(cc2Cl)Cl)Cl~    6.110
104383-17-7 Fc4ccc(OCC(O)CN3CCC(N(c2nc1ccccc1s2)C)CC3)cc4~    4.610
104411-79-2 OC(COc1ccccc1)CNCC(O)COc2ccccc2~    2.520
104437-96-9 O=S(=O)(N)c1ccc(s1)SCCO~    0.380
104437-99-2 O=S(=O)(N)c1ccc(s1)SCCCO~    0.850
104438-00-8 O=S(=O)(N)c1ccc(s1)S(=O)(=O)CCO~   -0.540
104438-02-0 O=S(=O)(N)c1ccc(s1)S(=O)(=O)CCCO~   -0.360
104438-05-3 O=C(OCCCS(=O)(=O)c1ccc(s1)S(=O)(=O)N)COC~   -0.140
104608-36-8 O=C1N(CCC1)P(=O)(OCC)Cc2ccc(cc2)c4nc3ccccc3s4~    3.000
104662-93-3 O=C(OC)Nc2nc1cc(ccc1n2(C(=O)OC))C(=O)c3ccccc3~    2.470
104668-67-9 O=C(Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])C(C)C(F)(F)F~    3.710
104697-84-9 O=C(O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3)COc4ccccc4~    2.370
104732-07-2 O=C2c3c(O)cc(O)cc3(OC(c1cccc(O)c1)C2)~    2.610
104764-52-5 O=C1C=CN(C=C1(O))CCC~   -0.170
104764-53-6 O=C1C=CN(C=C1(O))C(C)C~   -0.020
104764-54-7 O=C1C=CN(C=C1(O))CCCC~    0.720
104795-66-6 O=C(Nc1nnn[nH]1)c3c(OC(C)C)c2cc(OC)ccc2s3~    1.780
104901-18-0 N#CC(C#N)=NNc1c(cccc1C)C~    2.800
104946-50-1 O1c3ccccc3(OCCOCCOCCOCCOCCOCCOc2ccccc2(OCC1))~    1.630
104946-54-5 O1c3ccccc3(OCCOCCOCCOCCOCCOCCOCCOc2ccccc2(OCC1))~    1.820
104946-62-5 O1c2ccccc2(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCC1)~   -0.090
104958-85-2 O=C(NCCO)Cn1nc(nc1)[N+](=O)[O-]~   -1.590
104958-92-1 O=[N+]([O-])c1ncn(n1)CC(O)CN2CC2~   -0.720
104958-94-3 O=[N+]([O-])c1ncn(n1)CC(O)CCl~    0.050
105024-66-6 Fc2ccc(cc2(Oc1ccccc1))CCC[Si](c3ccc(OCC)cc3)(C)C~    8.200
105217-56-9 OC(COCCc1ccccc1)CNC(C)C~    1.760
105217-57-0 OC(COCCOc1ccccc1)CNC(C)C~    1.630
105217-58-1 OC(COCC=Cc1ccccc1)CNC(C)C~    2.150
105412-23-5 FC(F)(F)C(F)(F)C(F)(F)CNC(NC)=S~    1.990
105412-24-6 O=[N+]([O-])c1ccc(OCCCS(=O)C)cc1~    0.930
105412-25-7 O=[N+]([O-])c1ccc(OCCC)cc1S(=O)(=O)C~    1.100
105412-26-8 O=[N+]([O-])c1ccc(OCCCS(=O)(=O)N)cc1~    0.970
105456-57-3 O=S(=O)(c1ccc(N)cc1)c2ccc(cc2Cl)Cl~    3.120
105456-58-4 O=S(=O)(c1ccc(N)cc1)c2ccc(cc2C)C~    2.710
105456-64-2 O=S(=O)(c1ccc(N)cc1)c2c(OC)cc(OC)cc2(OC)~    1.030
105456-65-3 O=S(=O)(c1ccc(N)cc1)c2c(O)cc(O)cc2(O)~    1.530
105512-06-9 O=C(OCC#C)C(Oc2ccc(Oc1ncc(cc1(F))Cl)cc2)C~    3.900
105784-83-6 O=C1NC(=O)N(C=C1I)C2OC(CO)CC2~   -0.610
105801-48-7 O=C(NC1c2ccccc2(OC1))CN3CCCCC3~    2.300
105801-51-2 O=C(NC1c2cc(ccc2(OC1))Cl)CN(CCCC)CCCC~    4.440
105801-56-7 O=C(NC1c2cc(ccc2(OC1))C)CN(CCCC)CCCC~    4.430
105801-57-8 O=C(NC1c2cc(ccc2(OC1))C)CN3CCCC3~    2.240
105801-60-3 O=C(NC1c2ccc(OC)cc2(OC1))CN(CCCC)CCCC~    4.240
105801-62-5 O=C(NC1c2ccc(OC)cc2(OC1))CN3CCCCC3~    2.410
105801-63-6 O=C(NC1c2ccc(OC)cc2(OC1))CN3CCOCC3~    0.920
105801-66-9 O=C(NC1c2ccccc2(OC1))CN(CCCC)CCCC~    4.150
105951-31-3 O=C2c1cc(sc1SCC2)S(=O)(=O)N~    0.740
105951-35-7 O=C2c1cc(sc1S(=O)(=O)CC2)S(=O)(=O)N~   -0.040
105951-36-8 O=S2c1cc(sc1C(O)CC2)S(=O)(=O)N~   -1.010
105951-71-1 O=S(=O)(N)c1cc2c(s1)S(=O)(=O)CCC2~   -0.160
105979-17-7 O=C(OC)C4=C(NC(=C(C(=O)OC2CN(Cc1ccccc1)CCC2)C4(c3cccc(c3)[N+](=O)[O-]))C)C~    4.610
105983-47-9 O=[N+]([O-])c1c(nc(n1C)Br)C~    0.820
106206-96-6 O=C(OCN1C=C(F)C(=O)NC1(=O))OCC~   -0.040
106206-97-7 O=C(OCN1C(=O)NC=C(F)C1(=O))OCC~    0.150
106219-34-5 O=C(Oc1ccccc1)OCN2C(=O)NC=C(F)C2(=O)~    1.110
106220-81-9 O(c1cc(c(cc1Cl)Cl)Cl)c2c(cc(cc2Cl)Cl)Cl~    6.490
106220-83-1 O(c1ccc(cc1Cl)Cl)c2c(cc(c(c2Cl)Cl)Cl)Cl~    6.840
106231-36-1 O=C(ON=C1C(OCS1)(C)C)NC~    0.820
106231-39-4 O=C(ON=C1C(C)(C)SCCS1)NC~    1.510
106231-45-2 O=C(ON=C1CSCS1)NC~    0.510
106231-48-5 O=C(ON=C1CSC(C)(C)S1)NC~    1.330
106231-51-0 O=C(OCC(=O)NCCC)c1ccccc1~    1.880
106231-53-2 O=C(OCC(=O)NCC(=O)N)c1ccccc1~    0.090
106231-55-4 O=C(OCC(=O)N(CCC)CCC)c1ccccc1~    2.650
106231-56-5 O=C(OCC(=O)N(C(C)C)C(C)C)c1ccccc1~    2.560
106231-57-6 O=C(OCC(=O)N(CCCC)CCCC)c1ccccc1~    3.910
106231-58-7 O=C(OCC(=O)N(CC=C)CC=C)c1ccccc1~    2.340
106231-59-8 O=C(OCC(=O)N(C)CCO)c1ccccc1~    0.580
106231-60-1 O=C(OCC(=O)N(CC)CCO)c1ccccc1~    0.930
106231-61-2 O=C(OCC(=O)N(CCO)CCO)c1ccccc1~    0.170
106231-62-3 O=C(OCC(=O)N(C)CC(=O)N)c1ccccc1~    0.080
106231-63-4 O=C(OCC(=O)N(C)CC(=O)OCC)c1ccccc1~    1.560
106231-64-5 O=C(OCC(=O)N(C)CC(=O)O)c1ccccc1~    0.670
106231-68-9 O=C(OCC(=O)N1CCOCC1)c2ccccc2~    0.900
106231-69-0 O=C(OCC(=O)N1CCCC1(C(=O)N))c2ccccc2~    0.200
106293-84-9 O=C(ON=C1C(OC(C)S1)C)NC~    0.960
106319-45-3 O=S(=O)(N)c2cc1c(C(O)CCS1(=O)(=O))s2~   -0.590
106319-46-4 O=S(=O)(N)c2cc1c(CC(O)CS1(=O)(=O))s2~   -0.700
106335-79-9 O=S2c1c(cc(s1)S(=O)(=O)N)C(O)CC2~   -0.920
106362-29-2 Nc1cccc(c1)C2=CCN(C)CC2~    1.470
106362-30-5 Nc1ccc(cc1)C2=CCN(C)CC2~    1.480
106400-04-8 O=S(=O)(N)c1cc2c(s1)S(=O)(=O)CCC2(O)~   -0.350
106848-85-5 O=C(OCC(Cc1cncn1C)C(C(=O)OCc2ccccc2)CC)CCCCC~    4.750
107036-62-4 O=C1N=C(N)C(F)=CN1C2OC(CO)CC2~   -1.090
107103-97-9 FC(F)(F)CC(C)CCO~    1.610
107115-73-1 O=C(c1ccccc1)c2c(cc3n2CCC3(C(=O)O))C~    2.850
107419-07-8 O=C(Oc1cccc(c1)C2(C(=O)CC)(CCN(C)CC2))C~    1.050
107485-43-8 O=C(N)c1c(OC)cccc1Cl~    0.590
107485-46-1 O=C(NC(=O)c1c(cccc1C)[N+](=O)[O-])Nc2ccc(cc2)Cl~    3.750
107485-58-5 O=C(NC(=O)c1ccccc1(OC))Nc2ccc(cc2)Cl~    4.350
107485-63-2 O=C(N)c1c(F)cccc1Br~    0.630
107485-64-3 O=C(N)c1c(cccc1Cl)[N+](=O)[O-]~    0.120
107485-65-4 O=C(N)c1c(cccc1Br)[N+](=O)[O-]~    0.280
107550-73-2 OCC3OC(n2cnc1c(nc(nc12)N)N)CC3~   -0.460
108050-54-0 O=C3OC(CC)C(C=C(C=CC(=O)C(C)CC(CCN1CC(C)CC(C)C1)C(OC2OC(C)C(O)C(N(C)C)C2(O))C(C)C(O)C3)C)COC4OC(C)C(O)C(OC)C4(OC)~    3.800
108319-06-8 O=C(O)C2=CN(c1ccc(F)cc1(F))c3cc(c(F)cc3(C2(=O)))N4CCNC(C)C4~   -0.200
108441-45-8 [N-]=[N+]=NC1CC(OC1(CO))N2C=C(C(NC2(=O))=S)C~    1.070
108610-76-0 N#Cc1cc(cnc1(NCCO))c2ccncc2~    1.170
108610-79-3 N#Cc1cc(cnc1(NCC(O)C))c2ccncc2~    0.790
108610-80-6 N#Cc1cc(cnc1(NC(CO)CC))c2ccncc2~    1.040
108610-82-8 N#Cc1cc(cnc1(NCCCO))c2ccncc2~    1.420
108610-85-1 N#Cc1cc(cnc1(NCCCCO))c2ccncc2~    1.930
108611-04-7 N#Cc1cc(cnc1(OCC(O)C))c2ccncc2~    1.650
108611-25-2 N#Cc2cc(c1ccccc1)c(nc2(NCCCO))C~    2.720
108611-26-3 N#Cc1cc(c(nc1N2CCOCC2)C)c3ccccc3~    3.650
108611-33-2 N#Cc2cc(c1ccccc1)c(nc2N3CCNCC3)C~    3.150
108611-54-7 N#Cc1cc(c(nc1Cl)C)c2ccc(OC)c(OC)c2~    2.860
108966-48-9 O=S(=O)(N)c1ccc(cc1)SCCO~    0.360
108966-49-0 O=S(=O)(N)c1ccc(cc1)S(=O)(=O)CCO~   -0.850
108966-51-4 O=S(=O)(N)c1ccc(cc1)SCCCO~    0.800
108966-53-6 O=S(=O)(N)c1ccc(cc1)SCCC(O)(C)C~    1.400
108966-54-7 O=S(=O)(N)c1ccc(cc1)SCCCCCO~    1.040
108966-55-8 O=S(=O)(N)c1ccc(cc1)S(=O)(=O)CCCO~   -0.640
108966-56-9 O=S(=O)(N)c1ccc(cc1)S(=O)(=O)CCC(O)(C)C~   -0.090
108966-58-1 O=[N+]([O-])c1cc(ccc1SCCO)S(=O)(=O)N~    0.380
108966-59-2 O=[N+]([O-])c1cc(ccc1SCCCO)S(=O)(=O)N~    0.960
108966-66-1 O=C(OC)c1cc(ccc1SCCCO)S(=O)(=O)N~    0.740
108966-70-7 O=S(=O)(N)c1ccc(c(F)c1)SCCO~    0.720
108966-73-0 O=S(=O)(N)c1ccc(c(c1)Cl)SCCCO~    1.590
108966-74-1 O=S(=O)(N)c1ccc(c(F)c1)SCCCO~    0.990
108966-75-2 O=S(=O)(N)c1ccc(c(F)c1)SCCCCO~    1.280
108966-76-3 O=S(=O)(N)c1ccc(c(F)c1)S(=O)(=O)CCO~   -0.600
108966-77-4 O=S(=O)(N)c1ccc(c(F)c1)S(=O)(=O)CCCO~   -0.410
108966-78-5 O=S(=O)(N)c1ccc(c(F)c1)S(=O)(=O)CCCCO~   -0.260
109151-40-8 O=C(O)C=CC(=O)c1cnccc1~    0.260
109828-23-1 O(c1cc(c(cc1Cl)Cl)Cl)c2c(c(cc(c2Cl)Cl)Cl)Cl~    7.130
109871-96-7 O=N2C(C=C(CN1CCCCC1)C2(C)(C))(C)C~    1.880
110192-35-3 FC(F)(F)c1ccc2c(c1)C3CCC(C2)C3(N)~    3.520
110235-47-7 C(#CC)c1nc(nc(c1)C)Nc2ccccc2~    3.280
110267-92-0 NC3C2c1ccccc1CC3(CC2)~    1.630
110301-07-0 O=C(OC(C)C)C(N)Cc1ccc(O)c(O)c1~    0.570
110442-37-0 O=C(c1ccccc1)N(NC(Nc2ccccc2)=S)c3ccccc3~    3.730
110488-70-5 O=C(C=C(c1ccc(cc1)Cl)c2ccc(OC)c(OC)c2)N3CCOCC3~    2.680
110933-19-2 Fc1ccc(cc1)C(O)(c2ccc(F)cc2)Cn3cncc3~    2.950
111041-44-2 O=C(Nc1cc(ccc1(F))Cc2ccccc2)N(C(=O)NC)C~    3.900
111041-46-4 O=C(Nc1cc(ccc1(F))CC)N(C(=O)NC)C~    3.230
111041-47-5 O=C(Nc1cc(F)ccc1(F))N(C(=O)NC)C~    2.400
111041-48-6 O=C(Nc1cc(ccc1(F))C(C)C)N(C(=O)NC)C~    3.530
111041-55-5 O=C(Nc1cc(ccc1(F))I)N(C(=O)NC)C~    3.580
111041-57-7 O=C(Nc1cc(OC(C)C)ccc1(F))N(C(=O)NC)C~    3.080
111041-62-4 O=C(Nc1cc(ccc1(F))C(=O)C)N(C(=O)NC)C~    1.820
111041-66-8 O=C(Nc1cc(ccc1(F))c2ccccc2)N(C(=O)NC)C~    3.780
111041-67-9 O=C(Nc1cc(OC)ccc1(F))N(C(=O)NC)C~    2.140
111041-76-0 O=C(Nc1cc(ccc1(F))C(CC)CC)N(C(=O)NC)C~    4.460
111041-86-2 O=C(Nc1cc(ccc1(F))C2CCCCC2)N(C(=O)NC)C~    4.580
111041-88-4 O=C(Nc1cc(ccc1(F))C(C)(C)C)N(C(=O)NC)C~    3.960
111075-86-6 O=C(NNC(=O)C)Nc1cccc(c1)C~    0.750
111075-89-9 O=C(NNC(=O)C)Nc1ccc(F)cc1~    0.450
111075-90-2 O=C(NNC(=O)C)Nc1cccc(c1)Cl~    1.330
111075-91-3 O=C(NNC(=O)C)Nc1cccc(c1)Br~    1.480
111075-92-4 O=C(NNC(=O)C)Nc1cccc(c1)I~    1.710
111075-93-5 O=C(NNC(=O)C)Nc1ccc(cc1)I~    1.650
111075-95-7 O=C(NNC(=O)C)Nc1cccc(OC)c1~    0.330
111075-96-8 O=C(NNC(=O)C)Nc1ccc(OCC)cc1~    0.510
111075-97-9 O=C(NNC(=O)C)Nc2ccc(Oc1ccccc1)cc2~    2.010
111076-00-7 O=C(NNC(=O)C)Nc1cccc(c1)[N+](=O)[O-]~    0.670
111076-01-8 O=C(NNC(=O)C)Nc1ccc(cc1)[N+](=O)[O-]~    0.770
111226-63-2 n1ccn(c1)C(OC(COc2ccc(cc2)Cl)C(C)(C)C)=S~    4.960
111226-64-3 n1ccn(c1)C(OC(COc2ccc(cc2)Br)C(C)(C)C)=S~    5.110
111226-65-4 n1ccn(c1)C(OC(COc2ccc(cc2)C)C(C)(C)C)=S~    4.660
111226-67-6 n1ccn(c1)C(OC(COc2ccc(cc2)CCC)C(C)(C)C)=S~    5.770
111226-70-1 n1ccn(c1)C(OC(COc2ccc(cc2)c3ccccc3)C(C)(C)C)=S~    6.060
111226-71-2 n1ccn(c1)C(OC(COc2ccc(OC)cc2)C(C)(C)C)=S~    4.310
111226-84-7 n1ccn(c1)C(OC(COc2ccc(cc2)CC)C(C)(C)C)=S~    5.090
111226-99-4 O=C(OC(COc1ccccc1)C(C)(C)C)n2cncc2~    3.580
111227-00-0 O=C(OC(COc1ccc(F)cc1)C(C)(C)C)n2cncc2~    3.680
111227-01-1 O=C(OC(COc1ccc(cc1)Cl)C(C)(C)C)n2cncc2~    4.190
111227-03-3 O=C(OC(COc1ccc(cc1)Br)C(C)(C)C)n2cncc2~    4.370
111227-04-4 O=C(OC(COc1ccc(cc1)[N+](=O)[O-])C(C)(C)C)n2cncc2~    3.350
111227-05-5 N#Cc2ccc(OCC(OC(=O)n1cncc1)C(C)(C)C)cc2~    3.150
111227-07-7 O=C(OC(COc1ccc(cc1)C(C)C)C(C)(C)C)n2cncc2~    4.770
111227-08-8 O=C(OC(COc1ccc(cc1)C)C(C)(C)C)n2cncc2~    4.060
111227-10-2 O=C(OC(COc1ccc(cc1)C(C)(C)C)C(C)(C)C)n2cncc2~    4.820
111227-13-5 O=C(OC(COc1ccc(cc1)CC)C(C)(C)C)n2cncc2~    4.100
111227-14-6 O=C(OC(COc1ccc(cc1)CCC)C(C)(C)C)n2cncc2~    4.730
111227-15-7 O=C(OC(COc1ccc(cc1)CCCC)C(C)(C)C)n2cncc2~    4.970
111227-17-9 O=C(OC(COc1ccc(OC)cc1)C(C)(C)C)n2cncc2~    3.460
111227-21-5 O=C(OC(COc1ccc(OCC)cc1)C(C)(C)C)n2cncc2~    3.860
111227-26-0 O=C(OC(COc1ccc(OCCC)cc1)C(C)(C)C)n2cncc2~    4.100
111227-41-9 O=C(OCC)c2ccc(OCC(OC(=O)n1cncc1)C(C)(C)C)cc2~    4.120
111435-97-3 N=4c1ccccc1N(c2ccc(cc2)Cl)C5=CC(=NCCCN3CCCC3)C(=CC=45)Nc6ccc(cc6)Cl~    7.170
111435-98-4 N=4c1ccccc1N(c2ccc(cc2)Cl)C5=CC(=NCCCN3CCCCC3)C(=CC=45)Nc6ccc(cc6)Cl~    8.180
111436-11-4 N=3c1ccccc1N(c2ccc(cc2)Cl)C4=CC(=NC(C)CCCN(CC)CC)C(=CC=34)Nc5ccc(cc5)Cl~    7.920
111479-05-1 O=C(OCCON=C(C)C)C(Oc3ccc(Oc1nc2ccc(cc2(nc1))Cl)cc3)C~    4.600
111526-85-3 n1c3cc(ccc3([nH]c1Cc2ccc(cc2)C))Cl~    5.210
111802-43-8 O=C1C=CC3(C(=C1)CCC2C4CC(C(=O)OC)C(C(=O)CO)C4(C)(CC(O)C23))(C)~    1.700
111812-58-9 O=C(OC(C)(C)C)c1ccc(cc1)CON=Cc3c(nn(c3(Oc2ccccc2))C)C~    5.010
111991-09-4 O=C(Nc1nc(OC)cc(n1)OC)NS(=O)(=O)c2ncccc2(C(=O)N(C)C)~    0.010
112225-83-9 O=C(NN(C(=O)c1cccc(c1)Cl)C(C)(C)C)c2ccccc2~    3.280
112225-85-1 O=C(NN(C(=O)c1ccc(F)cc1)C(C)(C)C)c2ccccc2~    2.850
112225-86-2 O=C(NN(C(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C)c2ccccc2~    2.270
112225-87-3 O=C(NN(C(=O)c1ccccc1)C(C)(C)C)c2ccccc2~    2.450
112226-30-9 O=C(NN(C(=O)c1ccccc1Cl)C(C)(C)C)c2ccccc2Cl~    2.750
112226-54-7 O=C(NN(C(=O)c1ccc(cc1)Cl)C(C)(C)C)c2ccccc2~    3.420
112226-56-9 O=C(NN(C(=O)c1ccc(cc1)C)C(C)(C)C)c2ccccc2~    2.990
112226-58-1 O=C(NN(C(=O)c1ccccc1Cl)C(C)(C)C)c2ccccc2~    2.590
112226-64-9 O=C(NN(C(=O)c1ccccc1Cl)C(C)(C)C)c2cccc(c2)Cl~    3.490
112226-65-0 O=C(NN(C(=O)c1ccccc1Cl)C(C)(C)C)c2ccc(cc2)Cl~    3.510
112226-76-3 O=C(NN(C(=O)c1ccccc1(F))C(C)(C)C)c2ccccc2~    2.380
112226-77-4 O=C(NN(C(=O)c1ccccc1(OC))C(C)(C)C)c2ccccc2~    2.040
112226-78-5 O=C(NN(C(=O)c1ccccc1C)C(C)(C)C)c2ccccc2~    2.750
112226-85-4 O=C(NN(C(=O)c1ccc(cc1)Br)C(C)(C)C)c2ccccc2~    3.660
112226-86-5 O=C(NN(C(=O)c1c(F)cccc1(F))C(C)(C)C)c2ccccc2~    2.160
112226-92-3 O=C(NN(C(=O)c1ccc(OC)cc1)C(C)(C)C)c2ccccc2~    2.560
112226-93-4 O=C(NN(C(=O)c1ccccc1I)C(C)(C)C)c2ccccc2~    2.830
112226-95-6 O=C(NN(C(=O)c1ccccc1SC)C(C)(C)C)c2ccccc2~    2.600
112226-97-8 O=C(NN(C(=O)c1ccc(cc1Cl)Cl)C(C)(C)C)c2ccccc2~    3.550
112227-02-8 O=C(NN(C(=O)c1cccc(F)c1)C(C)(C)C)c2ccccc2~    2.780
112249-32-8 O=C(NN(C(=O)c1ccccc1Br)C(C)(C)C)c2ccccc2~    2.690
112281-77-3 FC(F)C(F)(F)OCC(c1ccc(cc1Cl)Cl)Cn2ncnc2~    3.560
112410-23-8 O=C(NN(C(=O)c1cc(cc(c1)C)C)C(C)(C)C)c2ccc(cc2)CC~    4.250
112411-06-0 O=C(NN(C(=O)c1c(F)c(F)c(F)c(F)c1(F))C(C)(C)C)c2ccccc2~    3.250
112411-46-8 O=C(NN(C(=O)c1cccc(c1)C)C(C)(C)C)c2ccccc2~    2.790
112411-90-2 O=C(NN(C(=O)c1cccc(c1C)C)C(C)(C)C)c2ccccc2~    3.100
112412-44-9 O=C(NN(C(=O)c1ccc(c(c1)C)C)C(C)(C)C)c2ccccc2~    3.340
112426-60-5 O=C(NN(C(=O)c1cccc(OC)c1)C(C)(C)C)c2ccccc2~    2.560
112426-62-7 N#Cc1ccc(cc1)C(=O)N(NC(=O)c2ccccc2)C(C)(C)C~    2.500
112426-65-0 O=C(NN(C(=O)c1ccc(cc1)C(F)(F)F)C(C)(C)C)c2ccccc2~    3.770
112426-66-1 O=C(NN(C(=O)c1cccc(c1)C(F)(F)F)C(C)(C)C)c2ccccc2~    3.610
112426-67-2 O=C(NN(C(=O)c1ccccc1C(F)(F)F)C(C)(C)C)c2ccccc2~    2.850
112426-69-4 N#Cc1cccc(c1)C(=O)N(NC(=O)c2ccccc2)C(C)(C)C~    2.340
112426-71-8 O=C(NN(C(=O)c1c(cccc1Cl)Cl)C(C)(C)C)c2ccccc2~    2.560
112426-76-3 O=C(NN(C(=O)c1cccc(c1Cl)Cl)C(C)(C)C)c2ccccc2~    3.410
112426-79-6 O=C(NN(C(=O)c1cc(cc(c1)C)C)C(C)(C)C)c2ccccc2~    3.390
112426-81-0 O=C(NN(C(=O)c1cccc(c1C)Cl)C(C)(C)C)c2ccccc2~    3.570
112426-98-9 O=C(NN(C(=O)c1ccccc1Cl)C(C)(C)C)c2ccc(cc2)C~    3.150
112427-40-4 O=C(NN(C(=O)c1cccc(c1)I)C(C)(C)C)c2ccccc2~    3.720
112427-41-5 O=C(NN(C(=O)c1ccccc1CC)C(C)(C)C)c2ccccc2~    2.960
112427-66-4 O=C(NN(C(=O)c1ccc(OC)c(OC)c1)C(C)(C)C)c2ccccc2~    2.090
112473-77-5 O=C(Oc1ccccc1)C(CC)C(C)C~    4.200
112473-78-6 O=C(OCc1ccccc1)C(OCC)C(C)C~    3.290
112740-61-1 O=C(C=NO)CSC~    1.210
112830-95-2 Oc1cc(cc2OC(C)(C)C3CC=C(CO)CC3(c12))C(C)(C)CCCCCC~    7.440
112904-74-2 Oc2cccc1c2(OCC(N(CCC)CCC)C1)~    3.300
112941-26-1 O=C(OC)c1ccccc1CS(=O)(=O)N~    0.370
113024-34-3 O=S(=O)(Nc1c(F)cccc1(F))c2nc(n(n2)c3ccccc3)CC~    3.700
113024-75-2 O=S(=O)(Nc1c(ccc(c1Cl)C)Cl)c2nc(n(n2)c3ccccc3)C~    4.400
113270-70-5 n1cccc2nc([nH]c12)c3ccc(cc3)C(C)(C)C~    4.820
113588-95-7 O=C(Nc1nnn[nH]1)c2c(OC(C)C)c(c(C)s2)Br~    1.720
113589-05-2 O=C(Nc1nnn[nH]1)c2c(OC(C)C)c(c(OC)s2)Br~    1.350
113589-14-3 O=C(Nc1nnn[nH]1)c2c(OC(C)C)c(c(n2C)Br)Br~    2.520
113916-37-3 O=C(N)NS(=O)(=O)c1cnccc1~   -0.650
113932-77-7 O=C(OCCCC)Nc1ccc(OCC)c(OCC)c1~    3.460
113932-78-8 O=C(OC1CCCC1)Nc2ccc(OCC)c(OCC)c2~    3.330
113932-79-9 O=C(OC)Nc1ccccc1(OCC)~    2.430
113932-81-3 O=C(OC)Nc1cccc(c1)I~    3.030
113932-82-4 O=C(OC)Nc1cccc(c1)CC~    2.740
113932-83-5 O=C(OC)Nc1cccc(OCC)c1~    2.310
113932-84-6 O=C(OC)Nc1ccc(cc1)CCCC~    3.690
114012-04-3 N#Cc1cccc(c1(OP(OC)(OC)=S))Cl~    3.580
114260-32-1 O=C(OCC(=O)N(C)C)c2cc(c(cc2(NCc1occc1))Cl)S(=O)(=O)N~    1.180
114260-71-8 O=C(O)CSC1=NS(=O)(=O)c2cc(ccc2(N1))Cl~    0.720
114260-73-0 O=C(O)CSC1=NS(=O)(=O)c2ccc(c(c2(N1))Cl)Cl~    1.100
114260-74-1 O=C(O)CSC1=NS(=O)(=O)c2cc(ccc2(N1))Br~    0.920
114260-75-2 O=C(O)CSC1=NS(=O)(=O)c2cc(cc(c2(N1))Br)Br~    1.160
114260-78-5 O=C(O)CSC1=NS(=O)(=O)c2ccc(cc2(N1))C(F)(F)F~    1.620
114298-20-3 O=C3N(C(=O)C4C2C=CC(C1C=CC12)C34)CCCCN6CCN(c5ncccn5)CC6~    1.790
114311-32-9 O=C(O)c2cc(cnc2(C1=NC(C(=O)N1)(C)C(C)C))COC~    0.730
114369-43-6 N#CC(c1ccccc1)(Cn2ncnc2)CCc3ccc(cc3)Cl~    3.230
114525-06-3 FC(F)(F)CC(C)CO~    1.390
114593-85-0 O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CCC(=O)N~    1.430
114593-87-2 O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CCCCCC(=O)N~    2.300
114593-88-3 O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CCCCCO~    2.790
114665-08-6 O=C(OCC(=O)N(C)C)c1ccccc1(O)~    1.210
114665-09-7 O=C(OCC(=O)N(C)CCO)c1ccccc1(O)~    0.860
114753-51-4 Oc1cc(ccc1C2CCCC(O)C2)C(C)(C)CCCCCC~    6.680
114753-52-5 [N-]=[N+]=NC1CC(OC1(CO))n3cnc2c(nc(nc23)N)N~    0.240
114753-53-6 FC1CC(OC1(CO))n3cnc2c(nc(nc23)N)N~    0.050
114841-65-5 c1ccc(cc1)CC2=C(C)SSC2=S~    3.780
114895-11-3 N#CN=[N+]([O-])c1ccc(cc1)C(F)(F)F~    2.470
114912-51-5 N#CN=[N+]([O-])c1cccc(c1)C(F)(F)F~    2.520
114912-52-6 N#CN=[N+]([O-])c1cccc(C#N)c1~    1.150
114912-53-7 N#CN=[N+]([O-])c1ccc(C#N)cc1~    1.180
114991-36-5 O=C(C=CC=1C(=O)NC(=O)NC=1C)NC(CO)CS(=O)CSCCC~   -0.670
115054-74-5 O=C(OCC)C(n2nnc1ccccc12)CCCC~    3.320
115054-75-6 O=C(N)C(n2nnc1ccccc12)CC~    0.880
115054-76-7 O=C(N)C(n1nc2ccccc2(n1))CC~    1.250
115054-79-0 O=C(OCC)C(n2nnc1ccccc12)(C)C~    2.600
115054-80-3 O=C(OCC)C(n1nc2ccccc2(n1))CC~    2.880
115054-82-5 O=C(OCC)C(n1nc2ccccc2(n1))CCC~    3.380
115054-83-6 O=C(N)C(n1nc2ccccc2(n1))CCC~    1.750
115054-86-9 O=C(OCC)C(n2nnc1ccccc12)CCC~    2.820
115054-87-0 O=C(OCC)C(n1nc2ccccc2(n1))CCCC~    3.880
115054-89-2 O=C(N)C(n2nnc1ccccc12)CCC~    1.380
115054-91-6 O=C(O)CCC(n2nnc1ccccc12)C~    0.150
115054-94-9 O=C(N)CC(n1nc2ccccc2(n1))C~    1.000
115054-96-1 O=C(O)CCC(n1nc2ccccc2(n1))C~    0.690
115174-03-3 [O-][n+]1onc(N)c1C~   -0.170
115178-63-7 O=C(OCC(=O)N(CC(O)C)CC(O)C)c1ccccc1~    0.660
115178-64-8 O=C(OCC(=O)N(CCOC)CCOC)c1ccccc1~    1.280
115178-69-3 O=C(OCC(=O)N1CCCCC1CC)c2ccccc2~    2.620
115178-71-7 O=C(OCC(=O)N1CCC(O)CC1)c2ccccc2~    0.630
115178-75-1 O=C(OCC(=O)N1CCCC1(C(=O)O))c2ccccc2~    1.020
115178-78-4 O=C(OCCCC(=O)N(C)C)c1ccccc1~    1.860
115178-79-5 O=C(OC(C(=O)N(CC)CC)C)c1ccccc1~    2.300
115193-31-2 O=C(OCC(=O)NC(CO)(CO)CO)c1ccccc1~    0.250
115193-32-3 O=C(OCC(=O)N(C)CC)c1ccccc1~    1.270
115193-33-4 O=C(OCC(=O)N(CC(C)C)CC(C)C)c1ccccc1~    3.800
115201-41-7 Fc1ccc(cc1)Cn2ncnc2~    1.100
115201-44-0 FC(F)(F)c1cccc(c1)Cn2ncnc2~    1.740
115201-45-1 n1cnn(c1)Cc2ccc(c(c2)Cl)Cl~    2.540
115583-15-8 n1c3cc(ccc3([nH]c1Cc2ccc(cc2)Cl))Cl~    5.180
115656-32-1 O=C(NCCOC)COc2ccc(OCCNCC(O)COc1ccccc1)cc2~    1.700
115787-59-2 O=C3N=C(N)Nc1c3([nH]c(N)c1Cc2ccsc2)~    1.080
115812-51-6 O=C3N=C(N)Nc1c3([nH]c(N)c1Cc2cccs2)~    1.010
115864-73-8 O=C1C=CN(C(=C1(O))CC)C~   -0.200
115864-74-9 O=C1C=CN(C(=C1(O))CC)CCC~    0.700
116005-01-7 Oc3cccc1c3(OCC2N(CCOC12)CCC)~    1.930
116005-04-0 Oc1ccc2OCC(N(CCC)CCC)Cc2(c1)~    3.190
116255-48-2 n1cnn(c1)CC2(OCC(C2)Br)(c3ccc(cc3Cl)Cl)~    3.240
116383-78-9 O=C(OC)c1c([nH]c(c1(C(=O)OC))C)c2ncccc2Cl~    1.510
116383-80-3 O=C(OC)c1c([nH]c(c1(C(=O)OC))C)c2ncc(cc2)Cl~    2.700
116482-56-5 O=C(OCC(=O)N(CC)CC)c1ccccc1(OC(=O)C)~    1.160
116482-76-9 O=C(OCC(=O)N(C(C)C)C(C)C)c1ccccc1(OC(=O)C)~    2.030
116482-77-0 O=C(OCC(=O)N(C)CC(=O)OCC)c1ccccc1(OC(=O)C)~    1.670
116482-78-1 O=C(OCC(=O)N(C)CC(=O)N)c1ccccc1(OC(=O)C)~   -0.460
116583-45-0 O=C1OC(C)(CC(=O)C1C(=NOCC)CCC)C2CC2~    3.280
116714-46-6 O=C(NC(=O)c1c(F)cccc1(F))Nc2ccc(OC(F)(F)C(F)OC(F)(F)F)c(c2)Cl~    5.270
116792-06-4 n1cc3c4cc(OC)ccc4([nH]c3(c2ccc(cc12)Cl))~    4.490
116995-20-1 O(c1ccc(cc1Cl)Cl)c2c(ccc(c2Cl)Cl)Cl~    6.060
117121-33-2 O=C(Nc3ccc(Oc1nnnn1C2CCCCC2)cc3)N(C)C~    2.180
117121-34-3 O=C(Nc2ccc(Oc1nnnn1CCCCCCCC)cc2)N(C)C~    3.960
117121-35-4 O=C(Nc2ccc(OC1NNNN1(CC=C))cc2)N(C)C~    1.000
117121-36-5 O=C(Nc3ccc(Oc1nnnn1Cc2ccccc2)cc3)N(C)C~    1.700
117121-37-6 O=C(OCC)Cn2nnnc2(Oc1ccc(cc1)NC(=O)N(C)C)~    0.700
117121-38-7 O=C(Nc2ccc(Oc1nnnn1CC#C)cc2)N(C)C~    1.000
117121-39-8 O=C(Nc2ccc(Oc1nnnn1CC)c(c2)Cl)N(C)C~    1.500
117121-42-3 O=C(Nc2ccc(Oc1nnn(n1)CC)cc2)N(C)C~    1.100
117121-43-4 O=C(Nc2ccc(Oc1nnn(n1)C(C)C)cc2)N(C)C~    1.450
117121-44-5 O=C(Nc2ccc(Oc1nnn(n1)C(C)(C)C)cc2)N(C)C~    2.080
117121-45-6 O=C(Nc3ccc(Oc1nnn(n1)C2CCCCC2)cc3)N(C)C~    2.670
117121-46-7 O=C(Nc2ccc(Oc1nnn(n1)CCCCCCCC)cc2)N(C)C~    4.400
117121-47-8 O=C(Nc2ccc(Oc1nnn(n1)CC=C)cc2)N(C)C~    1.650
117121-48-9 O=C(Nc3ccc(Oc1nnn(n1)Cc2ccccc2)cc3)N(C)C~    2.250
117121-49-0 O=C(OCC)CN2NNC(Oc1ccc(cc1)NC(=O)N(C)C)N2~    1.120
117121-51-4 O=C(Nc2ccc(Oc1nnn(n1)CC)c(c2)Cl)N(C)C~    1.700
117144-73-7 O=C(Nc2ccc(Oc1nnn(n1)CC#C)cc2)N(C)C~    1.650
117337-19-6 O=C(OC)CSc3cc(N=C1N2N(C(=O)S1)CCCC2)c(F)cc3Cl~    3.770
117491-57-3 O=C(OCN1C(=O)C(=C(C1(=O))C)C)C~    0.650
117491-58-4 O=C(OCN2C(=O)c1ccccc1C2)C~    0.990
117505-23-4 N#CN=[N+]([O-])C2c1ccccc1N(=O)CC2~    1.120
117505-24-5 N#CN=[N+]([O-])C1CCN(=O)CC1~   -0.410
117505-25-6 N#CN=[N+]([O-])c1nccnc1~    0.100
117539-78-3 N#CN=[N+]([O-])c1ncccn1~   -0.130
117574-40-0 O=C1C(=C(C(=O)C(=C1C)Cc2cnccc2)C)C~    2.550
117718-60-2 O=C(OC)c2c(nc(c(C1=NCCS1)c2CC(C)C)C(F)(F)F)C(F)F~    3.890
117856-61-8 n1cc(ncc1OC)OC~    1.140
117994-51-1 O=[N+]([O-])c1ccc2[nH]c(nc2(c1))Cc3ccc(OC)cc3~    3.480
118024-67-2 O=C2c1[nH]cnc1N(C(=O)N2C)CCC~    1.020
118178-79-3 O=C1C=CN(C(=C1(O))C)CCOC~   -0.410
118178-81-7 O=C1C=CN(C(=C1(O))C)CCCOCC~    0.120
118198-78-0 O=C(C=Cc1ccc(O)c(O)c1)CCCCCO~    1.670
118247-01-1 O=C(OCC(=O)NCC)c1ccccc1(OC(=O)C)~    0.900
118247-02-2 O=C(OCC(=O)NCC(=O)N)c1ccccc1(OC(=O)C)~   -0.430
118247-04-4 O=C(OCC(=O)N(C)C)c1ccccc1(OC(=O)C)~    0.380
118247-07-7 O=C(OCOC(=O)CCC)c1ccccc1(OC(=O)C)~    2.500
118259-53-3 O=C(Nc2ccc(Oc1nnnn1C(C)(C)C)cc2)N(C)C~    1.650
118409-80-6 O=C(O)Cc2ccccc2(Nc1c(cc(OC)cc1Cl)Cl)~    4.440
118712-89-3 O=C(OCc1c(F)c(F)cc(F)c1(F))C2C(C=C(Cl)Cl)C2(C)(C)~    5.460
118976-97-9 O=C(c1ccc(OC)cc1)c2cc(sc2)S(=O)(=O)N~    1.760
118993-57-0 O=C(c1ccc(O)cc1)c2cc(sc2)S(=O)(=O)N~    1.410
119005-12-8 O=C(OCc1ccccc1)c3cccc(OC2NC(=O)C2)c3~    2.830
119005-13-9 O=C3NC(Oc1cccc2ccccc12)C3~    2.660
119005-15-1 O=C3NC(Oc1ccc(cc1)c2ccccc2)C3~    2.610
119005-16-2 O=C4NC(Oc2c3ccccc3(cc1ccccc12))C4~    3.080
119005-17-3 O=C3NC(Oc1ccc(cc1)C(=O)c2ccccc2)C3~    2.140
119005-18-4 O=C(C=Cc1ccccc1)c3ccc(OC2NC(=O)C2)cc3~    2.560
119005-21-9 O=C3NC(Oc1ccccc1C(=O)c2ccccc2)C3~    1.830
119005-23-1 O=C1NC(C1)Sc2ncccc2~    0.610
119005-26-4 O=C(OCC)CN3C(=O)CC3(Oc1ccc2ccccc2(c1))~    2.800
119005-27-5 O=C(OC(C)(C)C)CN3C(=O)CC3(Oc1ccc2ccccc2(c1))~    3.600
119005-28-6 O=C(c1ccccc1)c3ccc(OC2N(C(=O)C2)CC(=O)OCC)cc3~    3.000
119005-30-0 O=C(OCC)CN1C(=O)CC1Sc2ccc3ccccc3(c2)~    3.400
119410-37-6 O=C(C=CC=1C(=O)NC(=O)NC=1C)NC(CO)CS(=O)CSCCCCC~    0.600
119410-38-7 O=C(C=CC=1C(=O)NC(=O)NC=1C)NC(C)CS(=O)CSCC~   -0.300
119416-26-1 O=C(Nc1c(cc(cc1C)Br)C)C~    2.120
119446-68-3 n1cnn(c1)CC2(OCC(O2)C)c4ccc(Oc3ccc(cc3)Cl)cc4Cl~    4.300
119555-47-4 O=C1N=C(N)C=CN1C2OC(CO)CC2(F)~   -1.180
119644-21-2 [N-]=[N+]=NC3C(N=[N+]=[N-])C(OC3(n2cnc1c(ncnc12)N))CO~    0.800
119644-22-3 O=C1NC(=O)N(C=C1Cl)C2OC(CO)C(F)C2~   -0.170
119644-23-4 O=C1NC(=O)N(C=C1I)C2OC(CO)C(F)C2~    0.210
119691-79-1 n1c3cc(ccc3([nH]c1Cc2ccc(N)cc2))Cl~    3.200
119731-18-9 O=S(=O)(N)c1cc(cs1)S(=O)(=O)c2ccc(OC)cc2~    1.360
119738-06-6 O=C(OCC1OCCC1)C(Oc4ccc(Oc2nc3ccc(cc3(nc2))Cl)cc4)C~    4.320
120137-94-2 N#Cc1cc(cnc1(NCC=C))c2ccncc2~    2.070
120182-12-9 FC(F)(F)c1cccc(c1)N2CCN(CC2)CC3OC(=NC3)N~    2.210
120182-15-2 Fc1ccc(cc1)N2CCN(CC2)CC3OC(=NC3)N~    1.000
120236-83-1 O=S(c3ccc(c1nc2nnccc2([nH]1))c(OC)c3)C~    0.230
120236-84-2 O=S(c3ccc(c1nc2cnncc2([nH]1))c(OC)c3)C~    0.390
120236-85-3 O=S(c3ccc(c1nc2nccnc2([nH]1))c(OC)c3)C~    0.660
120236-88-6 n1ccc2[nH]c(cc2(c1))c3ccc(OC)cc3(OC)~    3.500
120277-93-2 OC(Cn1cncc1)CN2C3CCCC23~    0.370
120277-95-4 OC(Cn1cncc1)CN2C3CCCCCC23~    1.440
120282-84-0 O=C(NC23(CC1CC(CC(C1)C2)C3))C(O)c4ccccc4~    3.090
120282-87-3 O=C(OC(C(=O)ON=C(C)C23(CC1CC(CC(C1)C2)C3))c4ccccc4)C~    5.890
120356-09-4 O=C(OCCOCn2cnc1cnc(nc12)NC(=O)C)C~   -1.050
120399-49-7 O=C(NCC(=O)NC(C(=O)NCC)C(C)C)c1ccccc1~    1.050
120399-50-0 O=C(NCC(=O)NCC)c1ccccc1~    0.580
120503-34-6 OCC3OC(n2cnc1c2(ncnc1Cl))CC3~    0.240
120908-61-4 OC(COc1ccccc1)CNCC(O)COc2cccc3ccccc23~    3.870
120908-62-5 O=[N+]([O-])c2ccc(OCC(O)CNCC(O)COc1ccccc1)cc2~    2.620
120908-63-6 O=C(Nc2ccc(OCC(O)CNCC(O)COc1ccccc1)cc2)C~    1.390
120923-37-7 O=C(Nc1nc(OC)cc(n1)OC)NS(=O)(=O)N(C)S(=O)(=O)C~    1.630
120928-09-8 n1cnc3ccccc3(c1OCCc2ccc(cc2)C(C)(C)C)~    5.510
121009-77-6 O=C(O)CC(O)CC(O)CCC2C(C=CC1=CC(C)CC(OC(=O)C(C)(C)CC)C12)C~    4.470
121107-46-8 c1cc(c(cc1Cl)Cc2cc(c(cc2Cl)Cl)C)Cl~    7.530
121107-65-1 c1cc(c(cc1Cc2cc(c(cc2Cl)Cl)C)Cl)Cl~    7.260
121107-77-5 c1cc(cc(c1Cc2cc(c(cc2C)Cl)Cl)Cl)Cl~    7.410
121284-18-2 O(c1ccc(OCCOCCOC)cc1)CCOCCOC~    0.760
121284-19-3 O(c1cccc(OCCOCCOC)c1)CCOCCOC~    0.860
121284-20-6 O1c3ccccc3(OCCOCCOCCOCCOCCOCCOCCOc2ccccc2(OCCOCCOCCOCCOCCOCCOCC1))~    0.520
121325-44-8 O=C(OC)c2cc(Oc1cc(ccc1Cl)C(F)(F)F)ccc2[N+](=O)[O-]~    4.210
121508-87-0 O=C(NCCNCC(O)OCc1ccccc1)Cc2ccccc2~    1.050
121508-88-1 O=C(NCCNCC(O)COCc1ccccc1)C(C)C~    0.630
121508-89-2 OC(COCCc1ccccc1)CNC(C)(C)C~    2.520
121508-90-5 O=C(NCCNCC(O)COCCc1ccccc1)Cc2ccccc2~    1.240
121508-91-6 O=C(NCCNCC(O)COCCc1ccccc1)C(C)C~    0.950
121508-92-7 O=C(NCCNCC(O)COCCCc1ccccc1)Cc2ccccc2~    1.620
121508-93-8 O=C(NCCNCC(O)COCCCc1ccccc1)C(C)C~    1.250
121508-94-9 OC(COCCOc1ccccc1)CNC(C)(C)C~    2.350
121508-95-0 O=C(NCCNCC(O)COCCOc1ccccc1)Cc2ccccc2~    0.750
121508-96-1 O=C(NCCNCC(O)COCCOc1ccccc1)C(C)C~    0.480
121508-97-2 O=C(NCCNCC(O)COCC=Cc1ccccc1)Cc2ccccc2~    1.760
121508-98-3 O=C(NCCNCC(O)COCC=Cc1ccccc1)C(C)C~    0.510
121509-02-2 O=C(NCCNCC(O)COC2c1ccccc1CCC2)Cc3ccccc3~    1.680
121509-03-3 O=C(NCCNCC(O)COC2c1ccccc1CCC2)C(C)C~    1.990
121552-61-2 n1c(nc(cc1C)C2CC2)Nc3ccccc3~    4.000
121776-33-8 O=C(N1CC(OC1(C)C)c2occc2)C(Cl)Cl~    2.120
121788-14-5 O=C(OC)c1ccc(F)c(c1)NC(=O)N(C(=O)NC)C~    2.280
121788-15-6 O=C(Nc1cc(ccc1(F))[N+](=O)[O-])N(C(=O)NC)C~    2.300
121788-16-7 O=C(Nc1cc(ccc1(F))S(=O)(=O)C(C)C)N(C(=O)NC)C~    1.870
121822-75-1 O=C(N)NS(=O)(=O)Cc1ccccc1~    0.240
121822-76-2 O=C(NC)NS(=O)(=O)Cc1ccccc1~    0.540
121822-78-4 O=C(NC)N(C)S(=O)(=O)Cc1ccccc1~    1.180
121822-79-5 O=C(NC)NS(=O)(=O)c1cnccc1~   -0.450
121892-98-6 O=C1N=C(N=CN(C)C)C=CN1C2OC(CO)CC2~   -0.950
122009-33-0 O=C2NN(C=NNc1ccccc1)C(C)(C)C2~    0.260
122224-71-9 O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(CC(=O)N2CCOCC2)Cc3ccccc3)Cc4nc[nH]c4)CC5CCCCC5~    2.200
122224-80-0 O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(CC(=O)N(C)CCO)Cc2ccccc2)Cc3nc[nH]c3)CC4CCCCC4~    1.940
122224-83-3 O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(CC(=O)N2CC(OCOC)C(OCOC)C2)Cc3ccccc3)Cc4nc[nH]c4)CC5CCCCC5~    2.310
122224-84-4 O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(CC(=O)N(C)CCOCOCCOC)Cc2ccccc2)Cc3nc[nH]c3)CC4CCCCC4~    2.210
122224-98-0 O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(c2ccccc2)CC(=O)N3CCOCC3)Cc4ncsc4)CC5CCCCC5~    2.830
122225-00-7 O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(CC(=O)N2CCOCC2)Cc3ccccc3)Cc4cccs4)CC5CCCCC5~    3.590
122266-90-4 O=S(=O)(N)c2cc1cc(CNCCOC)sc1s2~    0.320
122266-93-7 O=S(=O)(N)c2cc1cc(CNCCO)sc1s2~   -0.720
122266-99-3 O=S(=O)(N)c2cc1cc(CNCCSC)sc1s2~    1.180
122267-01-0 O=S(C)CCNCc2cc1cc(sc1s2)S(=O)(=O)N~   -0.440
122321-30-6 O=S(=O)(N)c1oc3c(c1)cc(CN2CCOCC2)s3~    0.880
122321-32-8 O=S(=O)(N)c1oc2c(c1)cc(CNCCF)s2~    0.340
122453-73-0 N#Cc2c(c1ccc(cc1)Cl)n(c(c2Br)C(F)(F)F)COCC~    4.830
122568-02-9 O=C1NC(C=CN1C2OC(C=C2)CO)=S~   -0.280
122568-04-1 O=C1NC(C=CN1C2OC(CO)CC2)=S~   -0.210
123045-56-7 O=S(=O)(N)c1cccc(c1)C(C)C~    1.810
123045-57-8 O=S(=O)(N)c1cccc(OCCCC)c1~    2.060
123045-58-9 O=[N+]([O-])c1cc(ccc1(OCCCCCC))S(=O)(=O)N~    2.990
123063-34-3 Oc1ccc(c(O)c1)CCCCCCCCCCCCC~    6.840
123063-36-5 Oc1ccc(cc1(O))CCCCCCCCCCC~    6.970
123134-25-8 OC2(c1cccc(OC)c1)(CCCCC2(CN(C)C))~    2.570
123162-04-9 O=C(OCCN1CCOCC1)Nc2ccccc2(OC)~    1.730
123162-05-0 O=C(OCCN1CCOCC1)Nc2cccc(OC)c2~    2.190
123162-06-1 O=C(OCCN1CCOCC1)Nc2ccc(OC)cc2~    1.700
123162-07-2 O=C(OCCN1CCOCC1)Nc2ccccc2(OCC)~    2.270
123162-08-3 O=C(OCCN1CCOCC1)Nc2cccc(OCC)c2~    2.500
123162-09-4 O=C(OCCN1CCOCC1)Nc2ccc(OCC)cc2~    2.180
123297-69-8 O=C(Oc1ccc2OCOc2(c1))N(C)SN(C(=O)OCCCCCCCCCCCC)C~    7.390
123331-83-9 O=CC1=CC2c3c(O)cc(cc3(OC(C)(C)C2(CC1)))C(C)(C)CCCCCC~    8.030
123331-84-0 Oc1cc(cc2OC(C)(C)C3CCC(=CC3(c12))CO)C(C)(C)CCCCCC~    7.830
123643-51-6 O=C1C=C3C(=CC=C1SC)c2c(OC)c(OC)c(O)cc2CCC3(NC(=O)C(F)(F)F)~    2.610
123692-64-8 Fc1ccccc1C3OCC4ON=C(c2ccccc2)C4(CO3)~    2.900
123692-66-0 FC(F)(F)c1ccccc1C3OCC4ON=C(c2ccccc2)C4(CO3)~    4.310
123750-56-1 N=1OC3COC(OCC3(C=1c2ccccc2))c4ccccc4C~    2.720
123822-90-2 O=C(O)C5=C(C)CSC4N5(C(=O)C4(NC(NC(=O)C1=NN(C(=O)NC1(=O))c2ccccc2)c3ccc(O)cc3))~    1.260
123822-92-4 O=C(O)C5=C(C)CSC4N5(C(=O)C4(NC(=O)C(NC(=O)C1=NN(C(=O)NC1(=O))c2ccc(cc2)S(=O)(=O)N)c3ccc(O)cc3))~   -0.390
123953-16-2 O=Cc1no[n+]([O-])c1C~    1.020
123953-17-3 O=Cc1c(no[n+]1([O-]))C~    1.290
124050-99-3 O=C3OC(c1ccccc1)(c2ccccc2)CC(=O)C3C(=NOCC)CCC~    4.750
124051-00-9 O=C1OC(C(=CC)C)(C)CC(=O)C1C(=NOCC)CCC~    3.400
124076-66-0 O(c1ccc(c(c1Cl)Cl)Cl)c2c(ccc(c2Cl)Cl)Cl~    6.470
124497-72-9 OC1(OCCN(C)C1)(c2ccccc2)~    1.540
124497-74-1 OC1(OCCN(C)C1)(c2ccc(cc2)Br)~    1.570
124497-75-2 OC1(OCCN(C)C1(C))(c2ccccc2)~    1.920
124497-77-4 OC2OCCN(C)C2(c1ccccc1)~    0.990
124497-78-5 FC(F)(F)c1cccc(c1)C2(O)(OCCN(C)C2)~    1.390
124497-80-9 O1CCN(C)CC1(OCCC)c2ccccc2~    2.130
124497-81-0 O(CC=C)C1(OCCN(C)C1)(c2ccccc2)~    2.090
124497-82-1 C#CCOC1(OCCN(C)C1)(c2ccccc2)~    1.870
124497-83-2 O(CC)C1(OCCN(C)C1(C))(c2ccccc2)~    2.270
124497-85-4 O1CCN(C)CC1(OCCCC)c2ccccc2~    2.230
124497-86-5 O1CCN(C)CC1(OCC(C)C)c2ccccc2~    2.170
124802-90-0 O=C(O)CCSC1=NS(=O)(=O)c2cc(c(cc2(N1))Cl)Cl~    1.810
124802-91-1 O=C(O)CCSC1=NS(=O)(=O)c2cc(ccc2(N1))Br~    1.770
124802-92-2 O=C(O)CCSC1=NS(=O)(=O)c2cc(cc(c2(N1))Br)Br~    2.040
124802-93-3 O=C(O)CCSC1=NS(=O)(=O)c2ccc(cc2(N1))C~    1.160
124840-52-4 O=C(NCC1N(CCF)CCC1)c2c(O)c(cc(c2(OC))Cl)Cl~    3.660
124850-85-7 O=C(O)CCSC1=NS(=O)(=O)c2ccc(cc2(N1))Cl~    1.600
124850-87-9 O=C(O)CCSC1=NS(=O)(=O)c2ccc(OC)cc2(N1)~    0.960
124979-37-9 O=C(OCCCCCCC)C1=CC(=O)NC(=O)N1~    2.150
125111-04-8 O=C1NC(=O)N(C=C1(F))Cc2ccc(cc2)C~    1.500
125306-83-4 O=C(n1nc(nc1)S(=O)(=O)c2c(cc(cc2C)C)C)N(CC)CC~    3.210
125328-80-5 O=C(Nc1ccc(c(c1C)Cl)Br)C~    2.690
125573-05-9 O=C2c1[nH]cnc1N(C(=O)N2C)CC~    0.520
125757-81-5 O=C1C=CN(C=C1(O))CC~   -0.400
126055-13-8 O=C1C=CN(C(=C1(O))CC)CCO~   -0.660
126055-14-9 O=C1C=CN(C(=C1(O))CC)CCOC~    0.040
126479-61-6 O=NN(C(=O)NC1C(O)OC(CO)C(O)C1(O))C2CC(C)(C)N(=O)C2(C)(C)~    1.810
126479-63-8 O=NN(C(=O)NC1C(OC(=O)C)OC(COC(=O)C)C(OC(=O)C)C1(OC(=O)C))C2CC(C)(C)N(=O)C(C)(C)C2~    2.270
126479-64-9 O=NN(C(=O)NC1C(OC(=O)C)OC(COC(=O)C)C(OC(=O)C)C1(OC(=O)C))C2CC(C)(C)N(=O)C2(C)(C)~    2.250
126502-17-8 FC3CC(OC3(n2cnc1c(ncnc12)NC))CO~    0.270
126801-58-9 O=C(Nc1nc(OC)cc(n1)OC)NS(=O)(=O)Oc2ccccc2(OCC)~    2.890
126813-40-9 O=[N+]([O-])c1cc(ccc1C([N+](=O)[O-])(C)C)S(=O)(=O)N(C)CCN(C)C~    1.420
127025-29-0 O=S(=O)(N)c2cc1c(cc(CNCCOC)s1)s2~    0.510
127142-14-7 n1ccccc1C(=NNC(NNC(Nc2ccccc2Cl)=S)=S)C~    2.670
127356-05-2 O=S(c3ccc(c1nc2ncc(N)cc2([nH]1))c(OC)c3)C~    0.330
127356-43-8 n1cc(N)cc2[nH]c(nc12)c3ccc(OC)cc3(OC)~    1.620
127390-68-5 O=C(OC)c1c([nH]c(c1(C(=O)OC))C)c2nc(ccc2)Cl~    2.650
127592-40-9 O=C1NC(=O)N(C=C1Cl)C2OC(CO)CC2~   -1.110
127640-90-8 O=C(NC(c1ccc(cc1)Cl)C)C2(CC)(C(C)C2(Cl)Cl)~    4.260
127697-59-0 O=C(OCCOCn2cnc1C(=O)NC(=Nc12)N)CCCC~    0.370
127792-23-8 O=C(O)Cc2ccccc2(Nc1c(cccc1Br)Cl)~    4.640
127792-24-9 O=C(O)Cc2ccccc2(Nc1c(cccc1I)Cl)~    4.800
127792-31-8 O=C(O)Cc2ccccc2(Nc1cc(ccc1Cl)Cl)~    4.940
127792-33-0 O=C(O)Cc2ccccc2(Nc1ccc(c(c1)Cl)Cl)~    4.900
127944-47-2 O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(NC(=O)C(C)C)Cc2ccc(OC)cc2)Cc3nc[nH]c3)CC4CCCCC4~    2.850
127944-48-3 O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(NC(=O)N2CCOCC2)Cc3ccc(OC)cc3)Cc4nc[nH]c4)CC5CCCCC5~    2.110
127944-49-4 O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(NC(=O)N2CC(O)C(O)C2)Cc3ccc(OC)cc3)Cc4nc[nH]c4)CC5CCCCC5~    1.220
127944-51-8 O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(CC(=O)N(C)CCOC)Cc2ccccc2)Cc3nc[nH]c3)CC4CCCCC4~    2.450
127944-53-0 O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(CC(=O)N(C)CCOCOC)Cc2ccccc2)Cc3nc[nH]c3)CC4CCCCC4~    2.490
127944-55-2 O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(NC(=O)N2CC(OCOC)C(OCOC)C2)Cc3ccc(OC)cc3)Cc4nc[nH]c4)CC5CCCCC5~    2.060
127944-56-3 O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(NC(=O)N2CC(OCOCCOC)C(OCOCCOC)C2)Cc3ccc(OC)cc3)Cc4nc[nH]c4)CC5CCCCC5~    1.670
127944-57-4 O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(CC(=O)N2CC(OCOCCOC)C(OCOCCOC)C2)Cc3ccccc3)Cc4nc[nH]c4)CC5CCCCC5~    1.870
128104-25-6 Fc1ccc(cc1)C(O)(c2ccc(cc2)Br)Cn3cncc3~    3.420
128104-27-8 Fc1ccc(cc1)C(O)(c2ccc(F)cc2)C(n3cncc3)C~    3.130
128348-35-6 O=S(=O)(N)c1occ(c1)S(=O)(=O)c2ccc(OC)cc2~    1.170
128348-42-5 O=S(=O)(N)c1cc(cs1)S(=O)(=O)c2ccc(O)cc2~    1.110
128348-44-7 O=S(=O)(N)c1occ(c1)S(=O)(=O)c2ccc(O)cc2~   -0.100
128496-09-3 O=C1N=C(N)C(F)=CN1C2OC(CO)CC2(F)~   -0.920
128887-26-3 N#Cc1cc(c(nc1(OC))C)c2ccncc2~    2.410
129625-27-0 O=C(OCOC(=O)CC)c2cc(c(cc2(NCc1occc1))Cl)S(=O)(=O)N~    2.900
129865-48-1 OCCN2CC=C(c1ccccc1)CC2~    2.000
130179-73-6 O=C(N)c3ccc(c1nc2cnccc2([nH]1))c(OC)c3~    1.180
130336-12-8 O=C(NCCCN1CCOCC1)C(CC(O)C(NC(=O)C(NC(C(=O)N2CCC(OCOC)CC2)Cc3ccccc3)CCCC)CC4CCCCC4)C(C)C~    4.500
130778-40-4 OC3CC4C(C)C(OCC)OC1OC2(OOC14(C(CC2)C3(C)))(C)~    2.040
130778-42-6 OC1CC4(OOC23(C(OC(OCC)C(C)C3(CCC(C)C12))O4))C~    2.700
130778-43-7 OCC3CCC4C(C)C(OCC)OC1OC2(OOC14(C3(CC2)))(C)~    2.080
130787-06-3 O=C(Nc1ccc2nn(nc2(c1))C3CCCC3)C~    2.450
130787-07-4 O=C(Nc1ccc2nn(nc2(c1))C3CCCC3)CCl~    2.780
130787-08-5 O=C(Nc1ccc2nn(nc2(c1))C3CCCC3)C(Cl)Cl~    3.400
130787-12-1 O=C(OCC)Nc1ccc2nn(nc2(c1))C3CCCC3~    3.430
130787-13-2 O=C(OCC(C)C)Nc1ccc2nn(nc2(c1))C3CCCC3~    4.280
130787-14-3 O=C(Nc1ccc2nn(nc2(c1))C3CCCC3)c4ccccc4~    3.850
130787-15-4 O=C(Nc1ccc2nn(nc2(c1))C3CCCC3)c4ccc(cc4)Cl~    4.110
130787-16-5 O=C(Nc1ccc2nn(nc2(c1))C3CCCC3)c4ccc(OC)cc4~    4.030
130787-17-6 O=C(Nc1ccc2nn(nc2(c1))C3CCCC3)c4ccc(cc4)C(F)(F)F~    4.950
130787-18-7 O=C(Nc1ccc2nn(nc2(c1))C3CCCC3)c4ccc(cc4)[N+](=O)[O-]~    3.750
130787-19-8 O=C(Nc1ccc2nn(nc2(c1))C3CCCC3)c4ccc(c(c4)Cl)Cl~    5.320
130787-20-1 O=C(Nc1ccc2nn(nc2(c1))C3CCCC3)c4cc(OC)c(OC)c(OC)c4~    3.870
130787-21-2 O=S(=O)(Nc1ccc2nn(nc2(c1))C3CCCC3)C~    2.440
130787-22-3 O=S(=O)(Nc1ccc2nn(nc2(c1))C3CCCC3)c4ccc(cc4)C~    3.910
130787-23-4 O=[N+]([O-])c1ccc(cc1)S(=O)(=O)Nc2ccc3nn(nc3(c2))C4CCCC4~    3.820
130787-24-5 O=S(=O)(Nc1ccc2nn(nc2(c1))C3CCCC3)c4ccc(N)cc4~    2.480
130817-91-3 O=C(OC)n1cnc(c1)CC(NC(=O)C2NC(=O)CC2)C(=O)N3CCCC3(C(=O)N)~   -1.880
130817-92-4 O=C(OCC)n1cnc(c1)CC(NC(=O)C2NC(=O)CC2)C(=O)N3CCCC3(C(=O)N)~   -1.300
130817-93-5 O=C(OC(C)C)n1cnc(c1)CC(NC(=O)C2NC(=O)CC2)C(=O)N3CCCC3(C(=O)N)~   -0.800
130817-94-6 O=C(OCCCC)n1cnc(c1)CC(NC(=O)C2NC(=O)CC2)C(=O)N3CCCC3(C(=O)N)~   -0.470
130817-99-1 O=C(OC1CCCCC1)n2cnc(c2)CC(NC(=O)C3NC(=O)CC3)C(=O)N4CCCC4(C(=O)N)~    0.600
130818-00-7 O=C(OCc1ccccc1)n2cnc(c2)CC(NC(=O)C3NC(=O)CC3)C(=O)N4CCCC4(C(=O)N)~   -0.110
130892-66-9 O(c1ccc(c(c1)Cl)Cl)c2c(cccc2Cl)Cl~    5.700
130927-06-9 O=CN(C(=C(CCOC(=O)OCC)SC(=O)OCC)C)CC3=C(C(=O)OCOC(=O)C(C)(C)C)N2C(=O)C(NC(=O)C(=NOC)c1nc(N)sc1)C2SC3~    3.340
131042-60-9 O=C1N(O)C(=O)C2(C1)(CCCC2)~   -0.260
131042-61-0 O=C2N(OCc1ccccc1)C(=O)C3(C2)(CCCC3)~    2.300
131067-26-0 O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(CC(=O)N2CCOCC2)Cc3ccccc3)Cc4ncn(c4)C)CC5CCCCC5~    2.160
131073-11-5 n1ccc2oc(nc2(c1))c3ccc(OC)cc3(OC)~    2.420
131138-20-0 O(c1cc(c(c(c1)Cl)Cl)Cl)c2cc(c(cc2Cl)Cl)Cl~    7.110
131138-21-1 O(c1cc(ccc1Cl)Cl)c2cc(c(cc2Cl)Cl)Cl~    6.220
131229-37-3 O=C1c3ccccc3(N=C2N1CN(C)C2C)~    0.850
131229-39-5 O=C1c3ccccc3(N=C2N1CN(CCC)C2C)~    1.400
131229-40-8 O=C1c3ccccc3(N=C2N1CN(CCCC)C2C)~    1.600
131229-42-0 O=C1c4ccccc4(N=C3N1CN(CCc2ccccc2)C3C)~    1.800
131229-43-1 O=C1c4ccccc4(N=C3N1CN(Cc2ccccc2)C3C)~    1.720
131229-44-2 O=C1c4ccccc4(N=C3N1CN(c2ccccc2)C3C)~    1.790
131229-45-3 O=C1c4ccccc4(N=C3N1CN(c2ccc(OC)cc2)C3C)~    1.730
131341-86-1 N#Cc1c[nH]cc1c3cccc2OC(F)(F)Oc23~    4.120
131374-19-1 O=C(C=C)NCCCN1CCSCC1~    0.540
131402-49-8 O=C(OCn2ncc1C(=O)NC=Nc12)c3ccc(cc3)CN4CCN(C)CC4~    1.470
131402-50-1 O=C(OCn2ncc1C(=O)NC=Nc12)c3cccc(c3)CN4CCN(C)CC4~    1.490
131402-51-2 O=C(OCn2ncc1C(=O)NC=Nc12)c3ccc(cc3)CN(C)C~    1.050
131402-52-3 O=C(OCn2ncc1C(=O)NC=Nc12)c3cccc(c3)Cn4cncc4~    0.970
131524-16-8 O=C1C=C(OC(=C1(O))CCCC)C~    1.920
131807-57-3 O=C4OC(c2ccc(Oc1ccccc1)cc2)(C(=O)N4(Nc3ccccc3))C~    4.650
131983-72-7 OC2(C(=Cc1ccc(cc1)Cl)CCC2(C)(C))(Cn3ncnc3)~    3.290
132101-77-0 O=C(NCCN1CCOCC1)CC(O)C(NC(=O)C(NC(=O)C(CC(=O)N2CCOCC2)Cc4cccc3ccccc34)CCCCNC(NC)=S)CC5CCCCC5~    1.680
132101-88-3 O=C(NCCN1CCOCC1)CC(O)C(NC(=O)C(NC(=O)C(Cc2ccc3ccccc3(c2))Cc5cccc4ccccc45)CC#CCNC(NC)=S)CC6CCCCC6~    5.460
132101-89-4 O=C(NCCN1CCOCC1)CC(O)C(NC(=O)C(NC(=O)C(Cc2ccc3ccccc3(c2))Cc5cccc4ccccc45)CC#CCNC(=N)N[N+](=O)[O-])CC6CCCCC6~    4.730
132101-91-8 O=CNCC#CCC(NC(=O)C(Cc1ccc2ccccc2(c1))Cc4cccc3ccccc34)C(=O)NC(CC5CCCCC5)C(O)CC(=O)NCCN6CCOCC6~    5.440
132169-99-4 O=C(O)CN(CC(=O)O)CC(=O)Nc1c(ccc(c1C(C)C)Br)C(C)C~    0.200
132170-00-4 O=C(O)CN(CC(=O)O)CC(=O)Nc1c(ccc(c1C)Br)C~   -0.280
132194-21-9 Fc3nc(nc1c3(ncn1C2OC(CO)CC2))N~   -0.050
132194-24-2 Fc3ncnc1c3(ncn1C2OC(CO)CC2)~    0.000
132213-87-7 O(c1cc(cc2OC(C)(C)C3CC=C(C)CC3(c12))CCCCC)CCCCN~    8.380
132213-88-8 O=S(=O)(Nc3cc(O)c1c(OC(C)(C)C2CC=C(C)CC12)c3)C~    3.120
132213-90-2 O=C1c5ccccc5(C(=O)CN1CCCCCOc2cc(cc3OC(C)(C)C4CC=C(C)CC4(c23))CCCCC)~    9.070
132213-91-3 O(c1cc(cc2OC(C)(C)C3CC=C(C)CC3(c12))CCCCC)Cc4ccc(cc4)c5ccccc5~   10.890
132213-93-5 O(c1cc(cc2OC(C)(C)C3CCC(=C)CC3(c12))CCCCC)Cc4ccc(cc4)c5ccccc5~   11.290
132296-11-8 Oc1cc(ccc1C2CCCC(O)C2)C(C)(C)CCCCCCC~    7.180
132296-12-9 Oc1cc(ccc1C2CCCC(O)C2)C(C)(C)CCCCCCCC~    8.160
132296-13-0 Oc1cc(ccc1C2CCCC(O)C2)C(C)(C)CCCCCCCCCC~    8.420
132296-14-1 Oc1cc(ccc1C2CC(O)CCC2(C))C(C)(C)CCCCCC~    7.490
132296-15-2 Oc1cc(ccc1C2CC(O)CCC2(CCCCO))C(C)(C)CCCCCC~    6.680
132296-16-3 Oc1cc(ccc1C2CCCC(O)C2)C(C)(C)C~    4.050
132296-17-4 Oc1cc(ccc1C2CCCC(O)C2)C(C)(C)CC~    4.320
132296-19-6 Oc1cc(ccc1C2CCCC(O)C2)C(C)(C)CCCC~    5.430
132296-20-9 Oc1cc(ccc1C2CCCC(O)C2)C(C)(C)CCCCC~    5.970
132390-57-9 N#Cc1cccc(C=CC(=O)C)c1~    1.590
132452-02-9 OC2CCC3CCc1ccccc1C3(NC)(C2)~    2.370
132453-06-6 O(c1ccc2c(c1)C3(NC)(CCCCC3(CC2)))C~    3.750
132453-23-7 O2c1ccccc1C3(NC)(CCCCC3(C2))~    3.310
132453-25-9 NCC2CCC3(NC)(c1ccccc1CC3(C2))~    1.840
132453-26-0 c1ccc2c(c1)CC3CC(CNC)CCC23(NC)~    2.480
132483-29-5 O=C(O)C(c1ccc(cc1)c2nc(cs2)c3ccccc3)C~    4.950
132483-34-2 O=C(O)C(c1ccc(c(F)c1)c2nccs2)C~    3.140
132483-36-4 O=C(O)C(c1ccc(c(c1)C)c2nccs2)C~    3.060
132483-43-3 O=C(O)C(c1ccc(cc1)c2ncc(C)s2)C~    3.150
132483-46-6 O=C(O)C(c1ccc(cc1)c2nc(c(C)s2)C)C~    3.360
132483-51-3 O=C(O)C(c1ccc(cc1)c2nc(cs2)C(=O)NC)C~    2.450
132483-55-7 O=C(O)C(c1ccc(cc1)c2nc(cs2)CCCC)C~    4.830
132483-56-8 O=C(O)C(c1ccc(c(O)c1)c2nccs2)C~    3.180
132483-61-5 O=C(O)C(c1ccc(cc1)c2nc(cs2)C(=O)C)C~    2.650
132659-49-5 O=C1NCC2CNC(=O)C2(C1)~   -2.060
132722-90-8 FC3CC(OC3(n2cnc1cncnc12))CO~   -0.400
132722-91-9 FC3CC(OC3(n2cnc1c(nc(nc12)C)N))CO~    0.120
132722-92-0 FC3CC(OC3(n2cnc1c(nc(nc12)C)NC))CO~    0.640
132722-93-1 O=C(Nc3ncnc1c3(ncn1C2OC(CO)CC2(F)))c4ccccc4~    0.730
132722-94-2 FC3CC(OC3(n1c2ncnc(N)c2(nc1C)))CO~    0.100
132722-95-3 FC3CC(OC3(n2cnc1c2(ncnc1Cl)))CO~    0.320
132765-80-1 O=C(N)C(NC(=O)C(NC(=O)C)C)C(C)C~   -1.130
132765-81-2 O=C(N)C(NC(=O)C(NC(=O)C)CC(C)C)C(C)C~    0.260
132765-82-3 O=C(N)C(NC(=O)C(NC(=O)C)C(C)CC)C(C)C~    0.160
132765-83-4 O=C(N)C(NC(=O)C(NC(=O)C)C(C)C)C(C)C~   -0.320
132765-84-5 O=C(N)C(NC(=O)C(NC(=O)C)CC(C)C)C(C)CC~    0.680
132765-85-6 O=C(N)C(NC(=O)C(NC(=O)C)C(C)C)C~   -1.140
132765-86-7 O=C(N)C(NC(=O)C(NC(=O)C)Cc2c[nH]c1ccccc12)C(C)C~    0.730
132765-87-8 O=C(NC(C(=O)NC(C(=O)N)C(C)C)CO)C~   -1.530
132765-88-9 O=C(N)C(NC(=O)C(NC(=O)C)CO)Cc1ccccc1~   -0.790
132765-89-0 O=C(N)C(NC(=O)C(NC(=O)C)C(O)C)C(C)C~   -1.250
132765-90-3 O=C(NC(C(=O)NC(C(=O)N)C(C)CC)C(O)C)C~   -0.860
132765-91-4 O=C(N)CCC(NC(=O)C)C(=O)NC(C(=O)N)C(C)C~   -1.850
132765-92-5 O=C(N)CCC(NC(=O)C)C(=O)NC(C(=O)N)CC(C)C~   -1.320
132765-93-6 O=C(N)CCC(NC(=O)C)C(=O)NC(C(=O)N)Cc1ccccc1~   -1.140
132765-94-7 O=C(N)CCC(NC(=O)C(NC(=O)C)Cc1ccccc1)C(=O)N~   -1.030
132765-95-8 O=C(N)CCC(NC(=O)C(NC(=O)C)C(C)C)C(=O)N~   -1.820
132765-96-9 O=C(N)CC(NC(=O)C(NC(=O)C)C(C)CC)C(=O)N~   -1.410
132765-97-0 O=C(N)CC(NC(=O)C)C(=O)NC(C(=O)N)C(C)C~   -1.850
132765-98-1 O=C(N)CC(NC(=O)C)C(=O)NC(C(=O)N)C(C)CC~   -1.430
132765-99-2 O=C(N)CC(NC(=O)C)C(=O)NC(C(=O)N)Cc1ccccc1~   -1.140
132766-00-8 O=C(N)CC(NC(=O)C(NC(=O)C)CC(C)C)C(=O)N~   -1.300
132766-01-9 O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)C(C)C)C)C~   -1.400
132766-02-0 O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)C(C)C)C)C(C)C~   -0.670
132766-03-1 O=C(N)CNC(=O)C(NC(=O)C(NC(=O)C)C(C)C)C(C)CC~   -0.450
132766-04-2 O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)C)CC(C)C)C(C)C~   -0.140
132766-05-3 O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)C(C)C)Cc1ccccc1)C~    0.060
132766-06-4 O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)C)C(C)C)C(C)CC~   -0.200
132766-07-5 O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)C(C)CC)Cc1ccccc1)C~    0.520
132766-08-6 O=C(N)C(NC(=O)C(NC(=O)CNC(=O)C)C)C(C)C~   -1.560
132766-09-7 O=C(N)C(NC(=O)CNC(=O)C(NC(=O)C)C)Cc1ccccc1~   -0.710
132766-10-0 O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)C(C)CC)C)C(C)C~   -0.210
132766-11-1 O=C(N)CNC(=O)C(NC(=O)C(NC(=O)C)Cc1ccccc1)C(C)CC~    0.340
132766-12-2 O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)C(C)C)C(C)C)C(C)CC~    0.490
132766-13-3 O=C(N)CNC(=O)C(NC(=O)CNC(=O)C)CC(C)C~   -1.230
132766-14-4 O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc2c[nH]c1ccccc12)C)C~   -0.380
132766-15-5 O=C(N)CNC(=O)C(NC(=O)C(NC(=O)C)Cc2c[nH]c1ccccc12)C(C)CC~    0.620
132766-16-6 O=C(N)C(NC(=O)CNC(=O)C(NC(=O)C)Cc2c[nH]c1ccccc12)Cc3ccccc3~    0.990
132766-17-7 O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc2c[nH]c1ccccc12)C)C(C)C~    0.360
132766-18-8 O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)CC(C)C)CO)Cc1ccccc1~    0.230
132766-19-9 O=C(NC(C(=O)NC(C(=O)NC(C(=O)N)CC(C)C)C(O)C)CC(C)C)C~    0.240
132766-20-2 O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)C)Cc1ccc(O)cc1)CC(C)C~   -0.040
132766-21-3 O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)C)Cc1ccc(O)cc1)Cc2ccccc2~    0.260
132899-69-5 O=C(Nc1cc(ccc1(OCC))[N+](=O)[O-])CC~    1.850
133445-74-6 O=S(=O)(N)c2cc1cc(CNCCS(=O)(=O)C)sc1s2~   -0.260
133636-94-9 O=C(OC)c2cc(OC(=O)N1CCCC1)c(cc2Cl)Cl~    3.950
133636-96-1 O=C(OC(C)C)c2cc(OC(=O)N1CCCC1)c(cc2Cl)Cl~    4.670
133636-98-3 O=C(OC(C)C)c2cc(OC(=O)N1CCCC1)c(F)cc2Cl~    4.220
133959-98-5 O=N1C(C=C(CN(C)CCN(C)C)C1(C)(C))(C)C~    0.910
133960-00-6 O=N2C(C=C(CN1CCOCC1)CC2(C)(C))(C)C~    1.140
134419-51-5 O=C(O)C1N(CC1)CC(O)Cn2cncc2~   -2.020
134419-52-6 O=C(OC)C1N(CC1)CC(O)Cn2cncc2~   -0.290
134419-53-7 OC(CNC1CCCCC1Br)Cn2cncc2~    1.210
134917-52-5 O=C(O)CCSC1=NS(=O)(=O)c2cc(ccc2(N1))Cl~    1.430
135100-43-5 O=C1C=C(OC=C1(O))COCC~   -0.380
135158-54-2 O=C(c2cccc1nnsc12)SC~    3.100
135590-91-9 O=C(OCC)C2=NN(c1ccc(cc1Cl)Cl)C(C(=O)OCC)(C)C2~    3.830
135600-74-7 O=C(OCC2OC(N1C=C(C(=O)NC1(=O))I)CC2(O))c3ccc(OC)cc3~    1.380
135617-14-0 O=C(OCC2OC(N1C=C(C(=O)NC1(=O))I)CC2(O))c3ccc(cc3)[N+](=O)[O-]~    1.240
135685-04-0 O=[N+]([O-])c1cc(ccc1C([N+](=O)[O-])(C)C)S(=O)(=O)N(C)CCN~    0.650
135685-11-9 O=C(N)NOCc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N(C)CCNC~    0.450
135733-30-1 [O-][n+]2onc(c1ccccc1)c2CO~    1.770
135733-31-2 [O-][n+]2onc(c2(c1ccccc1))CO~    1.640
135733-32-3 OCc1nonc1c2ccccc2~    1.920
135733-34-5 O=Cc1c(no[n+]1([O-]))c2ccccc2~    2.920
135733-35-6 O=Cc1no[n+]([O-])c1c2ccccc2~    2.610
135832-36-9 O=C(OCCS(=O)(=O)c1ccc(s1)S(=O)(=O)N)C~    0.110
135832-38-1 O=S(=O)(N)c1ccc(s1)SCCCCO~    0.950
135832-39-2 O=S(=O)(N)c1ccc(s1)S(=O)(=O)CCCCO~   -0.340
135832-40-5 O=S(=O)(N)c1ccc(s1)S(=O)(=O)CCCNCC(C)C~   -0.350
135832-41-6 O=S(=O)(N)c1ccc(cc1)SCCCCO~    0.930
135832-42-7 O=S(=O)(N)c1ccc(cc1)S(=O)(=O)CCCCO~   -0.600
135832-44-9 O=S(=O)(N)c1ccc(cc1)S(=O)(=O)CCNCC(C)C~    0.230
135832-46-1 O=S(=O)(N)c1ccc(cc1)CCCO~    0.170
135832-47-2 O=C(OCCCc1ccc(cc1)S(=O)(=O)N)C~    0.980
135832-48-3 O=S(=O)(N)c1ccc(cc1)CCCCO~    0.570
135832-50-7 O=S(=O)(N)c1ccc(cc1)CCCCCO~    1.040
135832-51-8 O=C(OCCCCCc1ccc(cc1)S(=O)(=O)N)C~    1.860
136050-74-3 O=C(NC(C(=O)OC)C)C1=CN(c2nc(ccc2(C1(=O)))C)CC~    2.470
136191-64-5 O=C(OC)c2c(Oc1nc(OC)cc(n1)OC)cccc2(C(=NOC)C)~    2.840
136309-02-9 n1cc(nc(c1)Cl)OCC~    2.220
136309-03-0 n1cc(nc(c1)Cl)OCCC~    2.710
136309-04-1 N#Cc1nc(cnc1)C~    0.440
136309-05-2 n1cc(nc(OCC)c1)OC~    1.980
136309-06-3 O=C(Nc1nc(OC)cnc1)C~    0.820
136309-07-4 N#Cc1nc(OC)cnc1~    0.950
136309-08-5 O=C(OCC)c1nc(OC)cnc1~    1.200
136309-09-6 n1cc(nc(c1)N(C)C)OC~    1.990
136309-11-0 n1cc(ncc1OCC)Cl~    1.990
136309-13-2 n1cc(ncc1N(C)C)Cl~    1.700
136309-14-3 n1cc(ncc1OC)N(C)C~    1.650
136389-87-2 O=[N+]([O-])c3c(nn(c1ccccc1)c3(Nc2ccc(cc2)C(F)(F)F))C~    3.890
136426-54-5 O=C2c4cc(F)ccc4(N=C(n1ncnc1)N2c3ccc(cc3Cl)Cl)~    3.240
136832-80-9 O=C(Oc1cccc(c1)C2(C(=O)CC)(CCN(C)CC2))C(C)(C)C~    2.590
136832-82-1 O=C(Oc1cccc(c1)C2(C(=O)CC)(CCN(C)CC2))c3ccccc3~    3.030
136832-83-2 O=C(Oc1cccc(c1)C2(C(=O)CC)(CCN(C)CC2))OC~    0.750
136832-84-3 O=C(Oc1cccc(c1)C2(C(=O)CC)(CCN(C)CC2))OC(C)C~    1.720
136832-85-4 O=C(Oc1cccc(c1)C2(C(=O)CC)(CCN(C)CC2))OCC(C)C~    2.380
136832-86-5 O=C(Oc1cccc(c1)C2(C(=O)CC)(CCN(C)CC2))OCCCC~    2.420
136849-15-5 O=C(Nc1nc(OC)cc(n1)OC)NS(=O)(=O)Nc3ccccc3(C(=O)C2CC2)~    2.050
136944-23-5 O=C(C=Cc1ccc(O)c(O)c1)NCc2ccc(OC)c(OC)c2~    1.990
136944-24-6 O=C(C=Cc1ccc(O)c(O)c1)NCCc2ccc(OC)c(OC)c2~    2.070
136944-25-7 O=C(C=Cc1ccc(O)c(O)c1)CCC~    2.610
136944-37-1 O=C(C=COc1ccc(O)c(O)c1)NCCCCCC~    3.360
136944-43-9 Oc1cc2ccc(cc2(cc1(O)))CC~    3.250
136944-48-4 O=C(NCCCC)c1ccc2cc(O)c(O)cc2(c1)~    2.720
136944-52-0 Oc1cc2ccc(OCC)cc2(cc1(O))~    2.700
136991-36-1 O=C(OC(C)C)CS(=O)(=O)c1ccc(cc1)Cl~    2.040
137057-42-2 O=C(OCC3OC(n2cnc1c(ncnc12)OC)C(OC(=O)CC)C3(OC(=O)CC))CC~    2.750
137057-43-3 O=C(OCC3OC(n2cnc1c(ncnc12)OC)C(OC(=O)CCC)C3(OC(=O)CCC))CCC~    4.070
137057-45-5 O=C(OCC3OC(n2cnc1c(ncnc12)OC)C(OC(=O)C(C)C)C3(OC(=O)C(C)C))C(C)C~    3.960
137057-57-9 O=C(OC1C(OC(CO)C1(OC(=O)CCCC))n3cnc2c(ncnc23)OC)CCCC~    3.830
137057-62-6 O=C(OC1C(OC(CO)C1(OC(=O)C(C)(C)C))n3cnc2c(ncnc23)OC)C(C)(C)C~    3.610
137057-67-1 O=C(OC2C(OC(CO)C2(OC(=O)Cc1ccccc1))n4cnc3c(ncnc34)OC)Cc5ccccc5~    3.480
137057-69-3 O=C(OCC3OC(n2cnc1c(ncnc12)OC)C(OC(=O)CCCC)C3(O))CCCC~    3.580
137057-71-7 O=C(OCC3OC(n2cnc1c(ncnc12)OC)C(OC(=O)C(C)(C)C)C3(O))C(C)(C)C~    3.400
137057-72-8 O=C(OCC4OC(n2cnc1c(ncnc12)OC)C(OC(=O)c3ccccc3)C4(O))c5ccccc5~    3.390
137057-73-9 O=C(OCC4OC(n2cnc1c(ncnc12)OC)C4(OC(=O)c3ccc(OC)cc3))c5ccc(OC)cc5~    3.650
137103-53-8 Fc1ccc(cc1)C(O)(c2ccc(cc2)c3ccncc3)Cn4cncc4~    2.470
137103-54-9 Fc1ccc(cc1)C(O)(c2ccc(cc2)c3ncccc3)Cn4cncc4~    3.580
137103-55-0 Fc1ccc(c(F)c1)C(O)(c2ccc(cc2)c3cnccc3)Cn4cncc4~    3.310
137103-59-4 Fc1ccc(cc1)C(O)(c2cccc(c2)c3ccncc3)Cn4cncc4~    2.910
137103-63-0 OC(c1ccc(OC)cc1)(c2ccc(cc2)c3ccncc3)Cn4cncc4~    3.550
137103-64-1 OC(c1ccc(cc1)c2ccncc2)(c3ccc(cc3)Cl)Cn4cncc4~    3.270
137103-66-3 O=C(c1ccc(cc1)C(O)(c2ccc(cc2)c3ccncc3)Cn4cncc4)C~    2.410
137103-67-4 OC(c1ccc(cc1)c2ccncc2)(c3ccc(cc3)N(C)C)Cn4cncc4~    3.290
137103-74-3 OCc1ccc(cc1)C(O)(c2ccc(cc2)c3ccncc3)Cn4cncc4~    2.400
137128-33-7 Fc1ccc(c(F)c1)C(O)(c2ccc(cc2)c3ncccc3)Cn4cncc4~    3.650
137302-35-3 O=C(NC(C(=O)C(F)(F)C(=O)NCCN1CCOCC1)CC2CCCCC2)C(NC(=O)C(NS(=O)(=O)N3CCOCC3)Cc4ccccc4)CC=C~    3.390
137429-62-0 O=C(NC(C(=O)C(F)(F)C(=O)NCCN1CCOCC1)CC2CCCCC2)C(NC(=O)C(NS(=O)(=O)N3CCN(C)CC3)Cc4ccccc4)CC=C~    2.730
137605-59-5 O=C(NC(C(=O)NCC(=O)NC(C(=O)NC(C)(C)C)C)C)C~   -0.600
137605-60-8 O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C)(C)C)C)C)C)C~   -0.510
137605-62-0 O=C(NC(C(=O)N1CCCC1(C(=O)NC(C(=O)NC(C)(C)C)C))C)C~   -0.390
137605-63-1 O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C)(C)C)C)Cc1ccccc1)C)C~    1.010
137605-64-2 O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C)(C)C)C)Cc2c[nH]c1ccccc12)C)C~    1.260
137605-65-3 O=C(O)CC(NC(=O)C(NC(=O)C)C)C(=O)NC(C(=O)NC(C)(C)C)C~   -0.740
138324-58-0 O=C(c1ccccc1(OCC))N(C(C)C)C(C)C~    3.000
138568-62-4 O=C(O)C(c2ccc(c1nccs1)c(c2)Br)C~    3.350
138568-63-5 O=C(O)C(c1ccc(cc1)c2nc(cs2)C(C)C)C~    4.290
138568-64-6 O=C(O)C(c1ccc(cc1)c2nc(cs2)CC=C)C~    4.110
138568-66-8 O=C(O)C(c1ccc(cc1)c2nc(cs2)COC)C~    2.560
138568-68-0 O=C(O)C(c1ccc(cc1)c2nc(c(C)s2)CC)C~    3.990
138568-69-1 O=C(O)C(c1ccc(cc1)c3nc2c(CCCC2)s3)C~    4.410
138568-71-5 O=C(O)C(c1ccc(c(F)c1)c2nc(cs2)CC)C~    4.160
138568-72-6 O=C(O)C(c1ccc(c(F)c1)c2nc(cs2)C(C)C)C~    4.620
138568-73-7 O=C(O)C(c1ccc(c(F)c1)c2nc(cs2)CCCC)C~    5.240
138568-74-8 O=C(O)C(c1ccc(c(F)c1)c2ncc(C)s2)C~    3.550
138568-75-9 O=C(O)C(c1ccc(c(F)c1)c2ncc(CC)s2)C~    4.100
138568-79-3 O=C(O)C(c2ccc(c1nc(cs1)CC)c(c2)Cl)C~    4.280
138568-80-6 O=C(O)C(c2ccc(c1nc(cs1)C(C)C)c(c2)Cl)C~    4.780
138568-81-7 O=C(O)C(c2ccc(c1nc(cs1)CCCC)c(c2)Cl)C~    5.360
138568-84-0 O=C(O)C(c2ccc(c1nc(c(C)s1)C)c(c2)Cl)C~    3.940
138568-85-1 O=C(O)C(c2ccc(c1nc(c(C)s1)CC)c(c2)Cl)C~    4.620
138597-35-0 O=C1C=C(OC=C1(O))COCCCC~    0.780
138597-46-3 O=C1C=C(OC=C1(O))COCCC~    0.300
138686-07-4 O=C1NC(=O)N(C=C1Cl)C2OC(CO)CC2(F)~   -0.280
138771-70-7 O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc1ccccc1)Cc2ccccc2)Cc3ccccc3~    2.300
138771-71-8 O=C(N)C(N(C(=O)C(NC(=O)C(NC(=O)C)Cc1ccccc1)Cc2ccccc2)C)Cc3ccccc3~    2.630
138848-10-9 O=C1N=C(N=CN(C)C)C=CN1C2OC(CO)C(F)C2~   -0.640
138848-13-2 O=C1N=C(N=CN(CC)CC)C=CN1C2OC(CO)C(O)C2~   -0.590
138848-15-4 O=C1N=C(N=CN(C(C)C)C(C)C)C=CN1C2OC(CO)C(O)C2~    0.170
138926-22-4 O=C(Oc1cc(OCC#C)c(cc1Cl)Cl)N2CCC(F)(F)CC2~    3.570
139326-35-5 O=C(OC)CSc1ccc(cc1Cl)[N+](=O)[O-]~    2.260
139326-36-6 O=C(OC(C)C)CSc1ccc(cc1Cl)[N+](=O)[O-]~    3.200
139326-37-7 O=C(OC(C)C)CSc1ccccc1[N+](=O)[O-]~    2.760
139326-38-8 O=C(OC)CSc1ccc(cc1[N+](=O)[O-])Cl~    2.240
139326-40-2 O=C(OC)CS(=O)c1ccc(cc1Cl)[N+](=O)[O-]~    1.350
139326-41-3 O=C(OC(C)C)CS(=O)c1ccc(cc1Cl)[N+](=O)[O-]~    2.010
139326-42-4 O=C(OC)CS(=O)c1ccccc1[N+](=O)[O-]~    0.740
139326-43-5 O=C(OC(C)C)CS(=O)c1ccccc1[N+](=O)[O-]~    1.590
139326-44-6 O=C(OC)CS(=O)c1ccc(cc1[N+](=O)[O-])Cl~    1.290
139326-45-7 O=C(OC(C)C)CS(=O)c1ccc(cc1[N+](=O)[O-])Cl~    2.220
139326-46-8 O=C(OC)CS(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]~    0.630
139326-47-9 O=C(OC(C)C)CS(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]~    1.610
139326-49-1 O=C(OC)CS(=O)(=O)c1ccc(cc1Cl)[N+](=O)[O-]~    1.450
139326-50-4 O=C(OC(C)C)CS(=O)(=O)c1ccc(cc1Cl)[N+](=O)[O-]~    2.400
139326-51-5 O=C(OC(C)C)CS(=O)(=O)c1ccccc1[N+](=O)[O-]~    1.720
139326-52-6 O=C(OC(C)C)CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])Cl~    2.450
139359-10-7 O=C(OC(C)C)CSc1ccc(cc1[N+](=O)[O-])Cl~    3.000
139727-35-8 O=C2N(C)C1OC3(OOC14(C(C2)CCC(C)C4(CC3)))(C)~    2.760
139727-72-3 O=C2N(CCC)C1OC3(OOC14(C(C2)CCC(C)C4(CC3)))(C)~    3.400
139727-75-6 O=C(O)CN2C(=O)CC3CCC(C)C4CCC1(OOC34(C2(O1)))C~    1.750
139733-55-4 O=C(N)COc2ccc(OCCNCC(O)COc1ccccc1)cc2~    1.100
139733-59-8 O=C(NCCC)COc2ccc(OCCNCC(O)COc1ccccc1)cc2~    2.400
139733-61-2 O=C(NC(C)C)COc2ccc(OCCNCC(O)COc1ccccc1)cc2~    2.400
139733-77-0 O=C(NCCCO)COc2ccc(OCCNCC(O)COc1ccccc1)cc2~    0.500
139734-30-8 O=C(N2Cc1ccccc1CC2)COc4ccc(OCCNCC(O)COc3ccccc3)cc4~    3.600
140111-43-9 n1ccc(cc1)C2=CCN(C)CC2~    1.250
140706-48-5 O=C(Nc1nonc1(N))c2ccccc2~    1.410
140706-49-6 n1onc(NCC)c1N~    0.510
141018-14-6 O=C1N=C(N=CN(CC)CC)C=CN1C2OC(CO)CC2~   -0.060
141018-15-7 O=C1N=C(N=CN(CCC)CCC)C=CN1C2OC(CO)CC2~    0.950
141018-16-8 O=C2N=C(N=CN1CCCCC1)C=CN2C3OC(CO)CC3~    0.060
141018-18-0 O=C2N=C(N=CN1CCCC1)C=CN2C3OC(CO)CC3~   -0.470
141018-19-1 O=C1N=C(N=CN(CC)CC)C=CN1C2OC(CO)C(F)C2~    0.230
141018-20-4 O=C1N=C(N=CN(CCC)CCC)C=CN1C2OC(CO)C(F)C2~    1.350
141018-21-5 O=C1N=C(N=CN(C(C)C)C(C)C)C=CN1C2OC(CO)C(F)C2~    1.140
141018-22-6 O=C2N=C(N=CN1CCCCC1)C=CN2C3OC(CO)C(F)C3~    0.360
141018-24-8 O=C2N=C(N=CN1CCCC1)C=CN2C3OC(CO)C(F)C3~   -0.160
141112-29-0 O=C(c1cnoc1C2CC2)c3ccc(cc3S(=O)(=O)C)C(F)(F)F~    2.320
141249-30-1 O=C1N=C(N)C(=CN1C2OC(CO)CC2(F))Cl~   -0.460
141249-32-3 O=C1NC(=O)N(C=C1(F))C2OC(CO)CC2(F)~   -0.720
141605-11-0 O=C1C(=NN=C(N1(N))SC)C2CCOCC2~    1.070
141605-15-4 O=C1C(=NN=C(N1(NC))C)c2cccc(OCC)c2~    1.910
141605-16-5 O=C1C(=NN=C(N1(N))SC)c2cc(cc(c2)Cl)Cl~    3.020
141605-18-7 O=C1C(=NN=C(N1C)S)c2cc(cc(c2)Cl)Cl~    3.430
141605-19-8 O=C1C(=NN=C(N1(N))S)c2cc(cc(c2)Cl)Cl~    2.670
141627-87-4 O=C1C(=NN=C(NC)N1(N))c2cc(cc(c2)Cl)Cl~    1.910
141627-88-5 O=C1C(=NN=C(N1C)S)c2cccc(OCC)c2~    2.670
141627-90-9 O=C1C(=NN=C(N1C)S)c2ccc(OC(F)(F)F)c(c2)Cl~    3.610
142011-55-0 O=C(OCCC)n2c(nc1ccccc12)c3ncsc3~    2.980
142011-56-1 O=C(OCC(C)C)n2c(nc1ccccc12)c3ncsc3~    3.460
142312-58-1 O=C(Nc1ccc2nn(nc2(c1))C3CCCCC3)C(Cl)Cl~    3.870
142312-59-2 O=C(Nc1ccc2nn(nc2(c1))C3CCCCC3)c4ccccc4~    4.450
142312-60-5 O=C(Nc1ccc2nn(nc2(c1))C3CCCCC3)c4ccc(c(c4)Cl)Cl~    5.850
142312-61-6 O=C(Nc1ccc2nn(nc2(c1))C3CCCCC3)c4cc(OC)c(OC)c(OC)c4~    4.450
142312-62-7 O=C(Nc1ccc2nn(nc2(c1))C3CCCCC3)c4ccc(cc4)[N+](=O)[O-]~    4.570
142312-64-9 O=C(OCC)Nc1ccc2nn(nc2(c1))C~    1.830
142312-65-0 O=C(Nc1ccc2nn(nc2(c1))C)c3ccccc3~    2.440
142312-67-2 O=C(Nc1ccc2nn(nc2(c1))C)c3ccc(cc3)[N+](=O)[O-]~    2.530
142312-68-3 O=C(Nc1ccc2nn(nc2(c1))C)c3cc(OC)c(OC)c(OC)c3~    2.380
142459-58-3 O=C(N(c1ccc(F)cc1)C(C)C)COc2nnc(C(F)(F)F)s2~    3.200
142657-44-1 Fc1ccc(c(F)c1)C(O)(c2cccc(c2)Br)Cn3cncc3~    3.600
142657-45-2 OC(c1ccccc1)(c2ccc(cc2)Br)Cn3cncc3~    3.350
142657-51-0 O=C(Oc1ccc(cc1)C(O)(c2ccc(cc2)c3ccncc3)Cn4cncc4)C~    2.610
142657-52-1 OC(c1ccc(cc1)c2ccncc2)(c3ccc(cc3)C(OC)(OC)C)Cn4cncc4~    3.450
142657-53-2 Oc1ccc(cc1)C(O)(c2ccc(cc2)c3ccncc3)Cn4cncc4~    2.490
142657-54-3 Fc1ccc(cc1)C(O)(c2ccc(cc2)c3ccncc3)CN4CCCC4~    3.840
142688-52-6 O=C(NCCNc1nc(n[nH]1)N)C(CC(O)C(NC(=O)C(NC(C(=O)N2CCC(OCOC)CC2)Cc3ccccc3)CCCC)CC4CCCCC4)C(C)C~    4.200
142698-98-4 Fc1ccc(cc1)C(O)(c2ccc(cc2)c3ccncc3)CN4CCOCC4~    2.820
142707-91-3 O=C(NCCCNC(=O)C(CC(O)C(NC(=O)C(OC(C(=O)N1CCC(OCOC)CC1)Cc2ccccc2)CCCC)CC3CCCCC3)C(C)C)C~    4.300
142707-93-5 O=C(N)NCCCNC(=O)C(CC(O)C(NC(=O)C(OC(C(=O)N1CCC(OCOC)CC1)Cc2ccccc2)CCCC)CC3CCCCC3)C(C)C~    4.200
142708-11-0 N#CN=C(NC)NCCCNC(=O)C(CC(O)C(NC(=O)C(OC(C(=O)N1CCC(OCOC)CC1)Cc2ccccc2)CCCC)CC3CCCCC3)C(C)C~    4.400
142978-32-3 O=[N+]([O-])c2cnc(Nc1c(cc(cc1C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])c(c2)Cl~    2.800
143121-06-6 O=C(Oc1ccccc1Cl)N2CCCC2~    3.130
143121-09-9 O=C(Oc1cc2N=C(OCC#C)COc2(cc1Cl))N3CCCC3~    2.930
143202-51-1 O=C(N2c1ccc(cc1C3CN(C)CCC23)C)C~    1.250
143288-61-3 O=C1NC(=O)C2(C(=O)N1)(CCCCCC2)~    1.360
143288-62-4 O=C1NC(=O)C2(C(=O)N1)(CCCCCCC2)~    1.790
143288-63-5 O=C1NC(=O)C2(C(=O)N1)(CCCCCCCCCC2)~    3.150
143288-64-6 O=C1NC(=O)C2(C(=O)N1)(CCCCCCCCCCC2)~    3.510
143359-97-1 O=C(Nc1cccc(c1(OC))Cl)C~    1.680
143359-98-2 O=C(Nc1cccc(c1(OC))C)C~    1.280
143359-99-3 O=C(Nc1ccc(cc1Br)CCCC)C~    3.390
143360-04-7 O=C(Nc1c(cccc1C(C)C)CC)C~    2.100
143360-05-8 O=C(Nc1ccc(c(c1(F))Cl)Br)C~    2.860
143360-06-9 O=C(Nc1ccc(c(c1Cl)C)Br)C~    2.730
143360-07-0 O=C(Nc1cc(cc(c1(F))C(F)(F)F)Cl)C~    3.150
143360-09-2 O=C(Nc1cc(cc(c1Cl)C(F)(F)F)Br)C~    3.410
143360-12-7 O=C(Nc1cc(cc(c1Cl)Cl)C(F)(F)F)C~    3.270
143360-13-8 O=C(Nc1cc(cc(c1Br)Cl)Cl)C~    3.040
143360-14-9 O=C(Nc1c(F)ccc(c1Br)C(F)(F)F)C~    2.220
143360-20-7 O=C(Nc1cc(OC(F)(F)F)c(cc1Cl)Cl)C~    3.710
143502-47-0 O=C(OC)c1cc(ccc1[N+](=O)[O-])S(=O)(=O)c2ccc(cc2Cl)C(F)(F)F~    3.570
143502-48-1 O=C(OC)c1cc(ccc1[N+](=O)[O-])S(=O)c2ccc(cc2Cl)C(F)(F)F~    3.650
143585-01-7 O=C1NC(=O)C(C(=O)N1)(C)CC=C~    0.360
143585-02-8 O=C1NC(=O)C(C(=O)N1)(CC=C(C)C)C(C)(C)C~    2.560
143632-83-1 O=C(NCCCCCCC)c1ccccc1~    3.940
144106-12-7 O=C(OC(COc1ccccc1(OCC=C))CNC(C)C)CCCC~    4.000
144106-15-0 O=C(OC(COc1ccccc1(OCC=C))CNC(C)C)C2CC2~    3.010
144106-16-1 O=C(OC(COc1ccccc1(OCC=C))CNC(C)C)C=CC~    3.650
144458-68-4 OC3CCN(CCCc1ccccc1COc2cccc(OC)c2)CC3~    3.350
144458-69-5 OC3CCN(CCCc1ccccc1COc2ccccc2(OC))CC3~    2.820
144458-70-8 OC3CCN(CCCc1ccccc1COc2ccc(OC)cc2)CC3~    3.100
144458-71-9 OC3CCN(CCCc1ccccc1COc2cccc(OCC)c2)CC3~    3.500
144458-72-0 OC3CCN(CCCc1ccccc1COc2ccccc2(OCC))CC3~    3.100
144458-73-1 OC3CCN(CCCc1ccccc1COc2ccc(OCC)cc2)CC3~    3.420
144458-76-4 OC3CCN(CCCc1ccccc1COc2ccc(cc2)C)CC3~    3.500
144458-77-5 OC3CCN(CCCc1ccccc1COc2ccc(cc2)CC)CC3~    3.750
144458-79-7 Fc3ccc(OCc1ccccc1CCCN2CCC(O)CC2)cc3~    3.300
144458-83-3 OC3CCN(CCCc1ccccc1COc2cc(OC)c(OC)c(OC)c2)CC3~    2.600
144458-84-4 OC3CCN(CCCc1ccccc1COc2ccccc2)CC3~    3.210
144458-85-5 OC3CCN(CCCc1ccccc1CSc2ccccc2(OC))CC3~    3.580
144458-86-6 OC3CCN(CCCc1ccccc1CSc2ccccc2)CC3~    3.850
144458-87-7 Fc1ccc(cc1)SCc2ccccc2CCCN3CCOCC3~    3.690
144458-88-8 O1CCN(CC1)CCCc2ccccc2CSc3ccccc3~    3.800
144458-89-9 OC3CCN(CCCc1ccc(cc1)CSc2ccccc2)CC3~    3.670
144458-90-2 Fc1ccc(cc1)SCc2ccc(cc2)CCCN3CCOCC3~    3.510
144458-91-3 O1CCN(CC1)CCCc2ccc(cc2)CSc3ccccc3~    3.620
144458-93-5 OCCN(CCO)CCCc1ccc(cc1)CSc2ccccc2~    3.310
144458-94-6 O(c1ccccc1)Cc2cccc(c2)CN3CCCC3~    3.750
144458-95-7 OC3CCN(Cc1cccc(c1)COc2ccccc2)CC3~    2.770
144458-97-9 O(c1ccccc1)Cc2cccc(c2)CN3CCN(C)CC3~    3.050
144458-98-0 O(c1ccccc1)Cc2cccc(c2)CN3COCCC3~    2.750
144458-99-1 OCCN(Cc1cccc(c1)COc2ccccc2)CCO~    2.330
144459-03-0 O(c1ccc(cc1)COCc2cccc(c2)CN3CCOCC3)C~    2.830
144651-06-9 O=C(OC1COC1)c2ccccc2S(=O)(=O)NC(=O)Nc3nc(cc(n3)C)C~    1.100
144722-84-9 N1=C(OC(C1)CN3CCN(c2cccc(OC)c2)CC3)N~    0.870
144722-85-0 N1=C(OC(C1)CN3CCN(c2ccccc2(OC))CC3)N~    0.760
144881-36-7 N1=C(OC(C1)CN3CCN(c2ccc(c(c2)Cl)Cl)CC3)N~    2.400
144881-39-0 N1=C(OC(C1)CN3CCN(c2ccc(cc2)C)CC3)N~    1.230
144881-48-1 N1=C(OC(C1)CN3CCN(c2ccccc2(OCC))CC3)N~    1.210
145066-95-1 O=C(O)c3ccccc3(c2oc1ccc(cc1c2Br)C)~    5.190
145348-20-5 O=C(OCC)C1(CC1)S(=O)(=O)c2ccc(cc2)C~    2.230
145348-21-6 O=C(OC(C)C)C1(CC1)S(=O)(=O)c2ccc(cc2)C~    2.520
145348-22-7 O=C(OC)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl~    2.030
145348-24-9 O=C(OC(C)(C)C)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl~    2.680
145409-23-0 O=S(c1no[n+]([O-])c1C)c2ccccc2~    1.500
145409-25-2 O=S(c1ccccc1)c2c(no[n+]2([O-]))C~    1.750
146252-75-7 c1ccc(cc1)C2=C(CC)SSC2=S~    3.520
147059-72-1 O=C(O)C1=CN(c2nc(c(F)cc2(C1(=O)))N3CC4C(N)C4(C3))c5ccc(F)cc5(F)~    0.310
147085-74-3 c1ccc2c(c1)CC3CCCC(C)C23(NC)~    3.440
147085-80-1 NC23(c1ccccc1CC3(CCC2))~    2.580
147085-85-6 c1ccc2c(c1)CC3(NC)(CCCCC23)~    3.430
147085-89-0 C=C2c1ccccc1C3(NC)(CCCCC23)~    3.790
147102-64-5 O(c1cc(cc(c1)Cl)Cl)c2ccc(cc2Cl)Cl~    6.130
147128-62-9 NC23(Cc1ccccc1C3(CCCC2))~    2.940
147267-64-9 O=C2C(N)=CC=C(c1ccccc1)N2CC(=O)NC(C(=O)C(F)(F)F)C(C)C~    1.740
147750-25-2 O=C1OC(CCCCCCC)CC1C(=O)Nc2c(cccc2C(C)C)C(C)C~    4.720
148351-86-4 O=C1C=CN(C(=C1(O))CC)C(C)C~    0.730
148682-92-2 FC3CC2C4CCc1cc(O)ccc1C4(C(CC)CC2(C)C3(O)(C#C))~    4.120
148727-74-6 O=C2c1ccccc1C3(NC)(CCCCC3(C2))~    2.410
149151-27-9 O=Cn2cc(c1ccccc12)CC(NC(=O)CC3NC(=O)C5N(C3(=O))C4CCC5(CC4))C(=O)NC(C(=O)N(C)Cc6ccccc6)Cc7ccccc7~    3.470
149151-29-1 O=C(NC(C(=O)NC(C(=O)N(C)Cc1ccccc1)Cc2ccccc2)Cc4cn(c3ccccc34)C(=O)C)CC5NC(=O)C7N(C5(=O))C6CCC7(CC6)~    3.690
149151-31-5 O=C(OCc1ccccc1)n3cc(c2ccccc23)CC(NC(=O)CC4NC(=O)C6N(C4(=O))C5CCC6(CC5))C(=O)NC(C(=O)N(C)Cc7ccccc7)Cc8ccccc8~    5.660
149151-33-7 O=C(NC(C(=O)NC(C(=O)N(C)Cc1ccccc1)Cc2ccccc2)Cc4cn(c3ccccc34)C(=O)CCCCCCC)CC5NC(=O)C7N(C5(=O))C6CCC7(CC6)~    7.290
149167-42-0 O=C(NCc1ccc(OC)cc1)C(=O)c3c[nH]c2ccc(cc23)[N+](=O)[O-]~    2.170
149167-56-6 O=C(NCc1ccc(O)cc1)C(=O)c3c[nH]c2ccc(cc23)[N+](=O)[O-]~    2.670
149440-26-6 O=S(C)CCCOc1ccc2ccccc2(c1)~    2.420
150423-87-3 O=C(Nc1c(OC)cc(OC)cc1(OC))CC(=O)CCCCCCCCCCC~    5.020
150423-89-5 O=C(N(c1c(OC)cc(OC)cc1(OC))C)C(C(=O)CCCCCCCCCCC)(C)C~    6.670
150423-92-0 O=C(Nc1c(cccc1C(C)C)C(C)C)CC(=O)CCCCCCCCCCO~    4.200
150900-11-1 O=C1N(OCC)C(=O)C2(C1)(CCCC2)~    1.260
150900-12-2 O=C2N(Oc1ccccc1)C(=O)C3(C2)(CCCC3)~    1.770
151360-54-2 O=C(Oc1cccc(OCC)c1)C~    2.080
151360-57-5 O=C(OC)c1c(F)cccc1Cl~    2.420
154486-27-8 O=C(OC(C)COCCCC)COc1nc(F)c(c(N)c1Cl)Cl~    4.170
155999-93-2 O(c1cccc(c1)Cl)c2ccc(cc2Cl)Cl~    5.650
156741-78-5 O=C(OCCC)c1cocc1~    2.360
156741-82-1 O=C(NCC)c2c[nH]c1ccccc12~    1.620
157468-39-8 O=C(O)C5OC(OC3OC1OC2(OOC14(C(CC2)C(C)CCC4(C3(C))))(C))C(O)C(O)C5(O)~    1.440
157683-72-2 O(c1ccc(cc1)Cl)c2c(cccc2Cl)Cl~    5.300
157683-74-4 O(c1ccc(c(c1)Cl)Cl)c2c(cc(cc2Cl)Cl)Cl~    6.440
158629-39-1 O=C(O)Cc2cnc(C(=O)c1ccc(cc1)[N+](=O)[O-])n2C~    0.860
159553-68-1 O(c1ccc(c(c1)Cl)Cl)c2cc(cc(c2Cl)Cl)Cl~    6.520
159553-73-8 O(c1cc(c(c(c1Cl)Cl)Cl)Cl)c2c(ccc(c2Cl)Cl)Cl~    6.980
160033-32-9 C1(=C(CC)SSC1=S)CC~    3.510
160282-07-5 O(c1cc(cc(c1)Cl)Cl)c2ccc(c(c2Cl)Cl)Cl~    6.580
160282-08-6 O(c1cccc(c1Cl)Cl)c2cc(c(cc2Cl)Cl)Cl~    6.220
160282-09-7 O(c1ccc(c(c1Cl)Cl)Cl)c2cc(ccc2Cl)Cl~    6.510
160622-77-5 O=C1NCCC2CNC(=O)C12~   -1.950
160622-78-6 O=C(OCC)C1CNC(=O)CC1(C(=O)OCC)~    0.070
160790-04-5 O=C(OC(C)C)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]~    2.840
160790-05-6 O=C(OC(C)C)C1(CCCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]~    3.410
160790-06-7 O=C(OC)C1(CCC1)S(=O)(=O)c2ccc(cc2)Br~    2.450
160790-07-8 O=C(OC)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Br~    2.730
160790-10-3 O=C(OC(C)C)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Cl~    3.160
160790-14-7 O=C(OCC)C1(CCC1)S(=O)(=O)c2ccc(cc2)C~    2.310
160790-17-0 O=C(OC)C1(CCC1)S(=O)(=O)c2ccccc2~    1.630
160790-18-1 O=C(OC)C1(CCCC1)S(=O)(=O)c2ccccc2~    1.980
161050-58-4 O=C(NN(C(=O)c1cc(cc(c1)C)C)C(C)(C)C)c2cccc(OC)c2C~    3.700
161316-26-3 O=C(NCCN1(=O)(CCOCC1))C(CC(O)C(NC(=O)C(NC(C(=O)N2CCC(OCOC)CC2)Cc3ccccc3)CCCC)CC4CCCCC4)C(C)C~    4.070
162320-67-4 Fc3cccc(F)c3(c1nnc(nn1)c2ccccc2Cl)~    3.300
162853-24-9 O(c1ccccc1)c2cc(cc(c2Cl)Cl)Cl~    5.620
162853-25-0 O(c1ccccc1)c2c(ccc(c2Cl)Cl)Cl~    5.350
162853-28-3 O(c1cc(c(cc1Cl)Cl)Cl)c2cc(cc(c2Cl)Cl)Cl~    6.650
163079-17-2 O=C(O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3)COc4cccc(c4)Cl~    2.620
163079-19-4 O=C(O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3)COc4ccccc4[N+](=O)[O-]~    2.270
163079-20-7 O=C(O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3)COc4cccc(c4)[N+](=O)[O-]~    2.190
163136-67-2 O=S2(=O)(N=C(Nc1cccnc12)C)~   -0.910
163136-69-4 O=S2(=O)(N=C(Nc1ccncc12)C)~   -0.410
163136-74-1 O=S2(=O)(N=C(N(c1ccncc12)C)C)~   -0.800
163192-66-3 n1c3cc(ccc3([nH]c1c2ccc(OC)cc2(OC)))C~    3.780
163192-67-4 O=[N+]([O-])c1ccc2[nH]c(nc2(c1))c3ccc(cc3C)C~    4.100
163562-62-7 O=C(O)C5OC(OC3CC4C(C)C(OCC)OC1OC2(OOC14(C(CC2)C3(C)))(C))C(O)C(O)C5(O)~    0.770
163562-63-8 O=C(O)C5OC(OCC3CCC4C(C)C(OCC)OC1OC2(OOC14(C3(CC2)))(C))C(O)C(O)C5(O)~    1.050
163562-64-9 O=C(O)C5OC(OC1CC4(OOC23(C(OC(OCC)C(C)C3(CCC(C)C12))O4))C)C(O)C(O)C5(O)~    1.730
164584-56-9 C1=C(C(=S)SS1)CCCC~    3.700
164584-57-0 C1=C(C(=S)SS1)CCCCC~    4.060
164584-60-5 O=C1C(=CSS1)CCC~    2.380
164584-64-9 O=C1C(=C(C)SS1)CCC~    2.960
164584-65-0 O=C2C(c1ccccc1)=C(CC)SS2~    3.150
169137-04-6 N1=C(OC(C1)COc2ccccc2C)N~    1.690
169137-07-9 O=[N+]([O-])c2cccc(OCC1OC(=NC1)N)c2~    1.230
171203-13-7 O=C2N(CC(C)C)C1OC3(OOC14(C(C2)CCC(C)C4(CC3)))(C)~    3.660
171203-14-8 O=C2N(CCCCC)C1OC3(OOC14(C(C2)CCC(C)C4(CC3)))(C)~    4.240
171203-15-9 O=C2N(CCC(C)C)C1OC3(OOC14(C(C2)CCC(C)C4(CC3)))(C)~    4.160
171203-17-1 O=C3N(Cc1ccc(cc1)Cl)C2OC4(OOC25(C(C3)CCC(C)C5(CC4)))(C)~    4.320
171203-19-3 O=C3N(CCCc1ccccc1)C2OC4(OOC25(C(C3)CCC(C)C5(CC4)))(C)~    4.390
174359-79-6 O=C(NCCC)c1cccs1~    1.680
174359-80-9 O=C(NCCC)c1ccsc1~    1.650
174359-81-0 O=C(OCCC)c1ccsc1~    3.030
174654-96-7 n1cc(c(c2c1nc(nc2(N))N)C)CNc3ccc(cc3)Cl~    2.030
174814-95-0 O=C(NC(C(=O)OC)C(C)CC)C1=CN(c2nc(ccc2(C1(=O)))C)CC~    3.150
174814-96-1 O=C(OCC)CNC(=O)C1=CN(c2nc(ccc2(C1(=O)))C)CC~    2.070
174814-97-2 O=C(NC(C(=O)OC)C(C)C)C1=CN(c2nc(ccc2(C1(=O)))C)CC~    3.610
175601-25-9 n1cc(c(c2c1nc(nc2(N))N)C)CNc3cc(cc(c3)C)C~    2.110
175601-31-7 O=C(c1ccc(cc1)NCc3cnc2nc(nc(N)c2c3C)N)C~    1.450
184951-34-6 O=C(NCCN2CCN(c1ccccc1(OC))CC2)C~    0.500
184951-35-7 O=C(NCCN2CCN(c1ccccc1(OC))CC2)c3ccccc3~    2.200
184951-36-8 O=C(NCCN2CCN(c1ccccc1(OC))CC2)c3cccs3~    2.000
184951-37-9 O=C(NCCN2CCN(c1ccccc1(OC))CC2)c3occc3~    1.600
184951-38-0 O=C(NCCN2CCN(c1ccccc1(OC))CC2)c3cnccc3~    1.200
184951-39-1 O=C(NCCN2CCN(c1ccccc1(OC))CC2)c3ncncc3~    1.500
184951-44-8 N=C(NCCN2CCN(c1ccccc1(OC))CC2)C3CCCCC3~    3.400
184951-48-2 Fc1ccc(cc1)CCCCN3CCN(c2ccccc2(OC))CC3~    4.800
184951-50-6 Fc1ccc(cc1)C=CCCN3CCN(c2ccccc2(OC))CC3~    4.700
184951-52-8 Fc1ccc(cc1)COCCN3CCN(c2ccccc2(OC))CC3~    3.600
184951-54-0 Fc3ccc(OCCCN2CCN(c1ccccc1(OC))CC2)cc3~    4.100
185676-84-0 C(#CCOC(c1ccc(OC)c(OC)c1)C)C~    2.400
204708-07-6 O=C(C=Cc1ccccc1Cl)C(F)(F)F~    3.500
204708-10-1 O=C(C=Cc1ccccc1(OC))C(F)(F)F~    3.390
212485-61-5 O=C(c1ccc(OC)cc1)N(N=CC)c2ccccc2~    3.180
212485-63-7 O=C(c1ccc(cc1)[N+](=O)[O-])N(N=CC)c2ccccc2~    3.080
212485-72-8 O=C(c1ccc(OC)cc1)N(NC(Nc2ccccc2)=S)c3ccccc3~    3.940
212485-85-3 O=C(c1ccc(cc1)C)N(NC(Nc2ccccc2)=S)C~    3.010
212485-87-5 O=C(c1ccc(OC)cc1)N(NC(Nc2ccccc2)=S)C~    2.560
215732-82-4 n1cc(c(c2c1nc(nc2(N))N)C)CNc3ccccc3(OCC)~    2.070
2009-03-2 O=CNc1ccc2[nH]ccc2(c1)~    1.070
968-21-8 O=C(O)C(NC(=O)C(N)CC(C)C)Cc1ccc(O)cc1~   -1.940
1050-28-8 O=C(O)C(NC(=O)C(N)Cc1ccc(O)cc1)Cc2ccc(O)cc2~   -1.870
2577-40-4 O=C(O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2~   -0.850
2578-81-6 O=C(O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)Cc3ccccc3~   -0.020
3061-91-4 O=C(O)C(NC(=O)C(N)C(C)C)Cc1ccc(O)cc1~   -2.520
3303-31-9 O=C(O)C(NC(=O)C(N)CC(C)C)CC(C)C~   -1.460
3303-55-7 O=C(O)C(NC(=O)C(N)Cc1ccccc1)CC(C)C~   -1.170
3063-05-6 O=C(O)C(NC(=O)C(N)CC(C)C)Cc1ccccc1~   -1.150
3918-94-3 O=C(O)C(NC(=O)C(N)C(C)C)C(C)C~   -2.820
6403-35-6 O=C(O)C1N(C(=O)C(N)CC(C)C)CCC1~   -1.760
6686-02-8 O=C(O)C(NC(=O)C(N)Cc2c[nH]c1ccccc12)Cc3ccccc3~   -0.470
7669-65-0 O=C(O)C2N(C(=O)C(N)Cc1ccccc1)CCC2~   -1.230
10329-75-6 O=C(O)C(NC(=O)C(NC(=O)C(N)CC(C)C)CC(C)C)CC(C)C~   -0.940
13116-21-7 O=C(O)C(NC(=O)C(NC(=O)CN)Cc1ccccc1)Cc2ccccc2~   -1.330
13123-35-8 O=C(O)C(NC(=O)C(N)Cc2c[nH]c1ccccc12)CC(C)C~   -0.730
13485-59-1 O=C(O)C1N(C(=O)C(N)C)CCC1~   -2.710
13589-02-1 O=C(O)C(NC(=O)C1NCCC1)Cc2ccccc2~   -2.070
17355-10-1 O=C(O)C(NC(=O)C(N)Cc1ccc(O)cc1)CC(C)C~   -1.740
17355-18-9 O=C(O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccc(O)cc2~   -1.680
19653-76-0 O=C(O)C(NC(=O)C(N)Cc2c[nH]c1ccccc12)Cc3ccc(O)cc3~   -1.130
20368-24-5 O=C(O)C(NC(=O)C(NC(=O)C(N)CC(C)C)CC(C)C)Cc1ccc(O)cc1~   -1.340
20696-60-0 O=C(O)C(NC(=O)C(N)Cc2c[nH]c1ccccc12)Cc4c[nH]c3ccccc34~   -0.270
24046-71-7 O=C(O)C(NC(=O)C(N)Cc2c[nH]c1ccccc12)C~   -1.980
29727-65-9 O=C(O)C(NC(=O)C(N)C)C(C)CC~   -2.600
36077-39-1 O=C(O)C(NC(=O)C(N)CC(C)C)CCSC~   -1.870
40204-87-3 O=C(O)C(NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccccc1)Cc2ccccc2~   -1.510
50370-12-2 O=C(O)C3=C(C)CSC2N3(C(=O)C2(NC(=O)C(N)c1ccc(O)cc1))~   -2.060
51926-51-3 O=C(O)C(NC(=O)C1NCCC1)C(C)CC~   -2.560
52899-07-7 O=C(O)C(NC(=O)C1NCCC1)CC(C)C~   -2.410
53994-73-3 O=C(O)C3=C(CSC2N3(C(=O)C2(NC(=O)C(N)c1ccccc1)))Cl~   -1.790
59881-08-2 O=C(O)C(NC(=O)C(NC(=O)C(N)CCSC)CC(C)C)Cc1ccccc1~   -1.030
66317-22-4 O=C(O)C(NC(=O)C(NC(=O)C(N)C(O)C)C(C)C)CC(C)C~   -1.970
109683-61-6 O=C(O)C1N(N=C(C(C)(C)C)S1)C(=O)C(NC(C(=O)OCC)CCc2ccccc2)C~    1.620
90614-48-5 O=C(O)C(NC(=O)C1N(C(=O)C(N)C(C)CC)CCC1)C(C)CC~   -1.650
