support/ESOL.csv

X	y
OCC3OC(OCC2OC(OC(C#N)c1ccccc1)C(O)C(O)C2O)C(O)C(O)C3O 	-0.7700
Cc1occc1C(=O)Nc2ccccc2	-3.3000
CC(C)=CCCC(C)=CC(=O)	-2.0600
c1ccc2c(c1)ccc3c2ccc4c5ccccc5ccc43	-7.8700
c1ccsc1	-1.3300
c2ccc1scnc1c2 	-1.5000
Clc1cc(Cl)c(c(Cl)c1)c2c(Cl)cccc2Cl	-7.3200
CC12CCC3C(CCc4cc(O)ccc34)C2CCC1O	-5.0300
ClC4=C(Cl)C5(Cl)C3C1CC(C2OC12)C3C4(Cl)C5(Cl)Cl	-6.2900
COc5cc4OCC3Oc2c1CC(Oc1ccc2C(=O)C3c4cc5OC)C(C)=C 	-4.4200
O=C1CCCN1	1.0700
Clc1ccc2ccccc2c1	-4.1400
CCCC=C	-2.6800
CCC1(C(=O)NCNC1=O)c2ccccc2	-2.6400
CCCCCCCCCCCCCC	-7.9600
CC(C)Cl	-1.4100
CCC(C)CO	-0.4700
N#Cc1ccccc1	-1.0000
CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C	-3.6400
CCCCCCCCCC(C)O	-2.9400
Clc1ccc(c(Cl)c1)c2c(Cl)ccc(Cl)c2Cl 	-7.4300
O=c2[nH]c1CCCc1c(=O)n2C3CCCCC3	-4.5940
CCOP(=S)(OCC)SCSCC	-4.1100
CCOc1ccc(NC(=O)C)cc1	-2.3500
CCN(CC)c1c(cc(c(N)c1N(=O)=O)C(F)(F)F)N(=O)=O	-5.4700
CCCCCCCO	-1.8100
Cn1c(=O)n(C)c2nc[nH]c2c1=O	-1.3900
CCCCC1(CC)C(=O)NC(=O)NC1=O	-1.6610
ClC(Cl)=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2	-6.9000
CCCCCCCC(=O)OC	-3.1700
CCc1ccc(CC)cc1	-3.7500
CCOP(=S)(OCC)SCSC(C)(C)C	-4.7550
COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1	-4.8050
ClC(=C)Cl	-1.6400
Cc1cccc2c1Cc3ccccc32	-5.2200
CCCCC=O	-0.8500
N(c1ccccc1)c2ccccc2	-3.5040
CN(C)C(=O)SCCCCOc1ccccc1	-3.9270
CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C	-4.1500
CCCCCCCI	-4.8100
c1c(Cl)cccc1c2ccccc2	-4.8800
OCCCC=C	-0.1500
O=C2NC(=O)C1(CCC1)C(=O)N2	-1.6550
CC(C)C1CCC(C)CC1O 	-2.5300
CC(C)OC=O	-0.6300
CCCCCC(C)O	-1.5500
CC(=O)Nc1ccc(Br)cc1	-3.0830
c1ccccc1n2ncc(N)c(Br)c2(=O)	-3.1270
COC(=O)C1=C(C)NC(=C(C1c2ccccc2N(=O)=O)C(=O)OC)C 	-4.7600
c2c(C)cc1nc(C)ccc1c2 	-1.9400
CCCCCCC#C	-3.6600
CCC1(C(=O)NC(=O)NC1=O)C2=CCCCC2 	-2.1700
c1ccc2c(c1)ccc3c4ccccc4ccc23	-8.0570
CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O 	-2.5230
Clc1cccc(c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl 	-8.6000
Cc1ccccc1O	-0.6200
CC(C)CCC(C)(C)C	-5.0500
Cc1ccc(C)c2ccccc12	-4.1400
Cc1cc2c3ccccc3ccc2c4ccccc14	-6.5700
CCCC(=O)C	-0.1900
Clc1cc(Cl)c(Cl)c(c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl 	-9.1500
CCCOC(=O)CC	-0.8200
CC34CC(O)C1(F)C(CCC2=CC(=O)C=CC12C)C3CC(O)C4(O)C(=O)CO	-3.6800
Nc1ccc(O)cc1	-0.8000
O=C(Cn1ccnc1N(=O)=O)NCc2ccccc2	-2.8100
OC4=C(C1CCC(CC1)c2ccc(Cl)cc2)C(=O)c3ccccc3C4=O	-5.9310
CCNc1nc(Cl)nc(n1)N(CC)CC	-4.0600
NC(=O)c1cnccn1	-0.6670
CCC(Br)(CC)C(=O)NC(N)=O	-2.6800
Clc1ccccc1c2ccccc2Cl 	-5.2700
O=C2CN(N=Cc1ccc(o1)N(=O)=O)C(=O)N2 	-3.3800
Clc2ccc(Oc1ccc(cc1)N(=O)=O)c(Cl)c2	-5.4600
CC1(C)C2CCC1(C)C(=O)C2	-1.9600
O=C1NC(=O)NC(=O)C1(CC=C)c1ccccc1	-2.3690
CCCCC(=O)OCC	-2.2500
CC(C)CCOC(=O)C	-1.9200
O=C1N(COC(=O)CCCCC)C(=O)C(N1)(c2ccccc2)c3ccccc3	-5.8860
Clc1cccc(c1)c2cc(Cl)ccc2Cl 	-6.0100
CCCBr	-1.7300
CCCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl	-3.4930
COP(=S)(OC)SCC(=O)N(C)C=O	-1.9950
Cc1ncnc2nccnc12	-0.4660
NC(=S)N	0.3200
Cc1ccc(C)cc1	-2.7700
CCc1ccccc1CC	-3.2800
ClC(Cl)(Cl)C(Cl)(Cl)Cl	-3.6700
CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(OC(F)F)cc3	-6.8760
CCCN(=O)=O	-0.8000
CC(C)C1CCC(C)CC1=O	-2.3500
CCN2c1cc(Cl)ccc1NC(=O)c3cccnc23 	-5.3600
O=N(=O)c1c(Cl)c(Cl)ccc1	-3.4800
CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O 	-3.4600
c1ccc2c(c1)c3cccc4cccc2c34	-6.0000
CCCOC(C)C	-1.3400
Cc1cc(C)c2ccccc2c1	-4.2900
CCC(=C(CC)c1ccc(O)cc1)c2ccc(O)cc2 	-4.0700
c1(C#N)c(Cl)c(C#N)c(Cl)c(Cl)c(Cl)1	-5.6400
Clc1ccc(Cl)c(c1)c2ccc(Cl)c(Cl)c2	-7.2500
C1OC1c2ccccc2 	-1.6000
CC(C)c1ccccc1	-3.2700
CC12CCC3C(CCC4=CC(=O)CCC34C)C2CCC1C(=O)CO	-3.4500
c2(Cl)c(Cl)c(Cl)c1nccnc1c2(Cl) 	-5.4300
C1OC(O)C(O)C(O)C1O	0.3900
ClCCl	-0.6300
CCc1cccc2ccccc12	-4.1700
COC=O	0.5800
Oc1ccccc1N(=O)=O	-1.7400
Cc1c[nH]c(=O)[nH]c1=O 	-1.5060
CC(C)C	-2.5500
OCC1OC(C(O)C1O)n2cnc3c(O)ncnc23	-1.2300
Oc1c(I)cc(C#N)cc1I	-3.6100
Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)N(=O)=O	-4.7000
CCCCC	-3.1800
c1ccccc1O	0.0000
Nc3ccc2cc1ccccc1cc2c3 	-5.1700
Cn1cnc2n(C)c(=O)[nH]c(=O)c12 	-2.5230
c1ccc2cnccc2c1	-1.4500
COP(=S)(OC)SCC(=O)N(C(C)C)c1ccc(Cl)cc1	-4.4320
CCCCCCc1ccccc1	-5.2100
Clc1ccccc1c2ccccc2	-4.5400
CCCC(=C)C	-3.0300
CC(C)C(C)C(C)C	-4.8000
Clc1cc(Cl)c(Cl)c(Cl)c1Cl	-5.6500
Oc1cccc(c1)N(=O)=O	-1.0100
CCCCCCCCC=C	-5.5100
CC(=O)OCC(COC(=O)C)OC(=O)C	-0.6000
CCCCc1c(C)nc(nc1O)N(C)C 	-2.2400
CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2ccc(F)c(Oc3ccccc3)c2	-7.3370
c1ccncc1	0.7600
CCCCCCCBr	-4.4300
Cc1ccncc1C	0.3600
CC34CC(O)C1(F)C(CCC2=CC(=O)CCC12C)C3CCC4(O)C(=O)CO 	-3.4300
CCSCc1ccccc1OC(=O)NC 	-2.0900
CCOC(=O)CC(=O)OCC	-0.8200
CC1=CCC(CC1)C(C)=C	-4.2600
C1Cc2ccccc2C1	-3.0400
CC(C)(C)c1ccc(O)cc1	-2.4100
O=C2NC(=O)C1(CC1)C(=O)N2 	-1.8860
Clc1cccc(I)c1	-3.5500
Brc1cccc2ccccc12	-4.3500
CC/C=C/C	-2.5400
Cc1cccc(C)n1	0.4500
ClC=C(Cl)Cl	-1.9600
Nc1cccc2ccccc12	-1.9200
Cc1cccc(C)c1	-2.8200
Oc2ncc1nccnc1n2	-1.9470
CO	1.5700
CCC1(CCC(C)C)C(=O)NC(=O)NC1=O	-2.4680
CCC(=O)C	0.5200
Fc1c[nH]c(=O)[nH]c1=O 	-1.0770
Nc1ncnc2n(ccc12)C3OC(CO)C(O)C3O 	-1.9500
Oc1cccc(O)c1	0.8100
CCCCCCO	-1.2400
CCCCCCl	-2.7300
C=CC=C	-1.8700
CCCOC(=O)C	-0.7200
Oc2ccc1CCCCc1c2 	-1.9900
NC(=O)CCl 	-0.0200
COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl	-6.6200
Cc1ccc(Cl)cc1	-3.0800
CSc1nnc(c(=O)n1N)C(C)(C)C	-2.2530
Cc1ccc(OP(=O)(Oc2cccc(C)c2)Oc3ccccc3C)cc1	-6.0100
CCCCCC=O	-1.3000
CCCCOC(=O)c1ccc(N)cc1	-3.0820
O2c1cc(C)ccc1N(C)C(=O)c3cc(N)cnc23 	-3.0430
CC(C)=CCC/C(C)=C\CO	-2.4600
Clc1ccc(cc1)c2ccccc2Cl 	-5.2800
O=C1N(COC(=O)CCCCCCC)C(=O)C(N1)(c2ccccc2)c3ccccc3	-6.5230
CCN(=O)=O	-0.2200
CCN(CC(C)=C)c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O	-6.1240
Clc1ccc(Cl)c(Cl)c1Cl	-4.5700
CCCC(C)(COC(N)=O)COC(N)=O 	-1.8070
CC(=O)C3CCC4C2CC=C1CC(O)CCC1(C)C2CCC34C 	-4.6500
CI	-1.0000
CC1CC(C)C(=O)C(C1)C(O)CC2CC(=O)NC(=O)C2 	-1.1300
O=C1N(COC(=O)CCCCCC)C(=O)C(N1)(c2ccccc2)c3ccccc3	-6.3010
CC1=CC(=O)CC(C)(C)C1 	-1.0600
O=C1NC(=O)NC(=O)C1(CC)C(C)CC	-2.3900
CCCCC(=O)CCCC	-2.5800
CCC1(CCC(=O)NC1=O)c2ccccc2 	-2.3370
CCC(C)CC	-3.6800
CCOc1ccc(cc1)C(C)(C)COCc3cccc(Oc2ccccc2)c3	-8.6000
Cc1ccccc1n3c(C)nc2ccccc2c3=O	-2.9250
ClCC#N	-0.0920
CCOP(=S)(CC)Oc1cc(Cl)c(Cl)cc1Cl	-5.7520
CC12CCC(=O)C=C1CCC3C2CCC4(C)C3CCC4(O)C#C 	-5.6600
c1ccnnc1	1.1000
Clc1cc(Cl)c(Cl)c(Cl)c1	-4.6300
C1C(O)CCC2(C)CC3CCC4(C)C5(C)CC6OCC(C)CC6OC5CC4C3C=C21	-7.3200
Nc1ccccc1O	-0.7200
CCCCCCCCC(=O)OCC	-3.8000
COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C 	-1.6010
CNC(=O)Oc1ccccc1OC(C)C	-2.0500
CCC(C)Cl	-1.9600
Oc1ccc2ccccc2c1	-2.2800
CC(C)Oc1cc(c(Cl)cc1Cl)n2nc(oc2=O)C(C)(C)C	-5.6960
CCCCC#C	-2.3600
CCCCCCCC#C	-4.2400
Cc1ccccc1Cl	-3.5200
CC(C)OC(C)C	-1.1000
Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2	-3.0940
CNN	1.3400
CC#C	-0.4100
CCOP(=S)(OCC)ON=C(C#N)c1ccccc1	-4.8620
CCNP(=S)(OC)OC(=CC(=O)OC(C)C)C	-3.4080
C=CC=O	0.5700
O=c1[nH]cnc2nc[nH]c12 	-2.2960
Oc2ccc1ncccc1c2 	-2.1600
Fc1ccccc1	-1.8000
CCCCl	-1.4700
CCOC(=O)C	-0.0400
CCCC(C)(C)C	-4.3600
Cc1cc(C)c(C)c(C)c1C	-4.0000
CC12CCC(CC1)C(C)(C)O2 	-1.6400
CCCCOC(=O)CCCCCCCCC(=O)OCCCC	-3.8960
Clc1ccc(cc1)c2ccc(Cl)cc2 	-6.5600
Cc1cccnc1C	0.3800
CC(=C)C1CC=C(C)C(=O)C1	-2.0600
CCOP(=S)(OCC)SCSc1ccc(Cl)cc1	-5.7360
COc1cc(cc(OC)c1O)C6C2C(COC2=O)C(OC4OC3COC(C)OC3C(O)C4O)c7cc5OCOc5cc67	-3.5710
c1cc2cccc3c4cccc5cccc(c(c1)c23)c54	-8.8040
Cc1ccc(cc1N(=O)=O)N(=O)=O	-2.8200
c1c(Br)ccc2ccccc12 	-4.4000
CNC(=O)Oc1cccc(N=CN(C)C)c1	-2.3400
COc2cnc1ncncc1n2	-1.1390
Cc3ccnc4N(C1CC1)c2ncccc2C(=O)Nc34 	-3.1900
CCOP(=S)(OCC)Oc1nc(Cl)n(n1)C(C)C	-3.6580
CC(=C)C=C	-2.0300
CC(C)=CCCC(O)(C)C=C	-1.9900
COP(=S)(OC)Oc1ccc(SC)c(C)c1	-4.5700
OC1CCCCC1	-0.4400
O=C1NC(=O)NC(=O)C1(C)CC=C	-1.1600
CC34CCC1C(CCC2CC(O)CCC12C)C3CCC4=O	-4.1600
OCC(O)C(O)C(O)C(O)CO 	0.0600
Cc1ccc(cc1)c2ccccc2	-4.6200
CCNc1nc(Cl)nc(NC(C)C)n1	-3.8500
NC(=S)Nc1ccccc1	-1.7700
CCCC(=O)CCC	-1.3000
CC(=O)C(C)(C)C	-0.7200
Oc1ccc(Cl)cc1	-0.7000
O=C1CCCCC1	-0.6000
Cc1cccc(N)c1	-0.8500
ClC(Cl)(Cl)C#N	-2.1680
CNc2cnn(c1cccc(c1)C(F)(F)F)c(=O)c2Cl	-4.0460
CCCCCCCCC(=O)C	-3.3000
CCN(CC)c1nc(Cl)nc(NC(C)C)n1	-3.7850
CCOC(=O)c1ccc(N)cc1	-2.6160
Clc1ccc(Cl)c(Cl)c1	-3.5900
Cc3nnc4CN=C(c1ccccc1Cl)c2cc(Cl)ccc2n34	-4.0900
Oc1ccccc1O	0.6200
CCN2c1ncccc1N(C)C(=O)c3cccnc23 	-2.6200
CSC	-0.4500
Cc1ccccc1Br	-2.2300
CCOC(=O)N	0.8500
CC(=O)OC3(CCC4C2C=C(C)C1=CC(=O)CCC1(C)C2CCC34C)C(C)=O 	-5.3500
CC(C)C(O)C(C)C	-1.2200
c1ccc2ccccc2c1	-3.6000
CCNc1ccccc1	-1.7000
O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3	-4.0970
Cc1c2ccccc2c(C)c3ccc4ccccc4c13	-7.0200
CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O	-6.3400
COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl	-6.8900
Fc1cccc(F)c1C(=O)NC(=O)Nc2cc(Cl)c(F)c(Cl)c2F 	-7.2800
O=C1N(COC(=O)CCCC)C(=O)C(N1)(c2ccccc2)c3ccccc3	-4.6780
CN(C)C(=O)Nc1ccc(Cl)cc1	-2.8900
OC(Cn1cncn1)(c2ccc(F)cc2)c3ccccc3F	-3.3700
CC(=O)OCC(=O)C3(O)C(CC4C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC34C)OC(C)=O 	-4.1300
CCCCBr	-2.3700
Brc1cc(Br)c(Br)cc1Br	-6.9800
CC(C)CC(=O)C	-0.7400
CCSC(=O)N(CC)C1CCCCC1 	-3.4000
COc1ccc(Cl)cc1	-2.7800
CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2	-8.4020
CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O	-2.0160
COP(=S)(OC)Oc1ccc(N(=O)=O)c(C)c1	-4.0400
Ic1cccc2ccccc12	-4.5500
OCC(O)C(O)C(O)C(O)CO	1.0900
CCS	-0.6000
ClCC(Cl)Cl	-1.4800
CN(C)C(=O)Oc1cc(C)nn1c2ccccc2	-2.0900
NC(=O)c1ccccc1O	-1.8200
Cc1ccccc1N(=O)=O	-2.3300
O=C1NC(=O)NC(=O)C1(C(C)C)C(C)C	-2.7660
CCc1ccccc1C	-3.2100
CCCCCCCCl	-4.0000
O=C1NC(=O)NC(=O)C1(CC)CC	-2.4000
C(Cc1ccccc1)c2ccccc2	-4.6200
ClC(Cl)C(Cl)Cl	-1.7400
CCN2c1cc(OC)cc(C)c1NC(=O)c3cccnc23 	-5.1530
Cc1ccc2c(ccc3ccccc32)c1	-5.8400
CCCCOC(=O)c1ccccc1C(=O)OCCCC 	-4.4000
COc1c(O)c(Cl)c(Cl)c(Cl)c1Cl 	-4.0200
CCN(CC)C(=O)C(=CCOP(=O)(OC)OC)Cl	0.5230
CC34CCC1C(=CCc2cc(O)ccc12)C3CCC4=O	-5.2820
CCOC(=O)c1ccccc1S(=O)(=O)NN(C=O)c2nc(Cl)cc(OC)n2	-4.5760
COc1ccc(cc1)N(=O)=O	-2.4100
CCCCCCCl	-3.1200
Clc1cc(c(Cl)c(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl	-9.1600
OCC1OC(CO)(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O	-0.4100
CCCCCCCCCCCCCCCCCCCCCCCCCC	-8.3340
CCN2c1ccccc1N(C)C(=O)c3cccnc23 	-3.3240
CC(Cl)Cl	-1.2900
Nc1ccc(cc1)S(N)(=O)=O	-1.3400
CCCN(CCC)c1c(cc(cc1N(=O)=O)C(C)C)N(=O)=O	-6.4900
ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl	-4.6400
CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C	-4.1940
Clc1cccc(Cl)c1Cl	-4.0000
ClC(Cl)(Cl)Cl	-2.3100
O=N(=O)c1cc(Cl)c(Cl)cc1	-3.2000
OC1CCCCCCC1	-1.2900
CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C	-3.9990
CCOc1ccc(NC(N)=O)cc1	-2.1700
C/C1CCC(\C)CC1	-4.4700
c1cnc2c(c1)ccc3ncccc23	-2.6800
COC(C)(C)C	-0.2400
COc1ccc(C=CC)cc1	-3.1300
CCCCCCCCCCCCCCCCO	-7.0000
O=c1cc[nH]c(=O)[nH]1 	-1.4880
Nc1ncnc2nc[nH]c12 	-2.1200
Clc1cc(Cl)c(cc1Cl)c2cccc(Cl)c2Cl 	-7.2100
COc1ccc(cc1)C(O)(C2CC2)c3cncnc3 	-2.5960
c1ccc2c(c1)c3cccc4c3c2cc5ccccc54	-8.2300
O=C(Nc1ccccc1)Nc2ccccc2	-3.1500
CCC1(C(=O)NC(=O)NC1=O)c2ccccc2 	-2.3220
Clc1ccc(cc1)c2cccc(Cl)c2Cl 	-6.2900
CC(C)c1ccc(NC(=O)N(C)C)cc1	-3.5360
CCN(CC)C(=O)CSc1ccc(Cl)nn1	-1.7160
CCC(C)(C)CO	-1.0400
CCCOC(=O)CCC	-1.7500
Cc1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O	-3.2200
CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1	-4.2000
C1CCCCCC1	-3.5100
CCCOC=O	-0.4900
CC(C)c1ccccc1C	-3.7600
Nc1cccc(Cl)c1	-1.3700
CC(C)CC(C)C	-4.2600
o1c2ccccc2c3ccccc13	-4.6000
CCOC2Oc1ccc(OS(C)(=O)=O)cc1C2(C)C	-3.4200
CN(C)C(=O)Nc1cccc(c1)C(F)(F)F	-3.4300
c3ccc2nc1ccccc1cc2c3	-3.6700
CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C2CCC1(O)C(=O)CO	-3.1100
OCC1OC(O)C(O)C(O)C1O	0.7400
Cc1cccc(O)c1	-0.6800
CC2Cc1ccccc1N2NC(=O)c3ccc(Cl)c(c3)S(N)(=O)=O 	-3.5860
CCC(C)C(=O)OC2CC(C)C=C3C=CC(C)C(CCC1CC(O)CC(=O)O1)C23 	-6.0050
O=N(=O)c1ccc(cc1)N(=O)=O	-3.3900
CCC1(C(=O)NC(=O)NC1=O)C2=CCC3CCC2C3	-2.6960
CCCCCCCCCC(=O)OCC	-4.1000
CN(C)C(=O)Nc1ccccc1	-1.6000
CCCOCC	-0.6600
CC(C)O	0.4300
Cc1ccc2ccccc2c1	-3.7700
ClC(Br)Br	-1.9000
CCC(C(CC)c1ccc(O)cc1)c2ccc(O)cc2	-4.4300
CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC	-3.3700
ClCc1ccccc1	-2.3900
C/C=C/C=O	0.3200
CON(C)C(=O)Nc1ccc(Br)c(Cl)c1	-3.9240
Cc1c2ccccc2c(C)c3ccccc13	-6.5700
CCCCCC(=O)OC	-1.8700
CN(C)C(=O)Nc1ccc(c(Cl)c1)n2nc(oc2=O)C(C)(C)C	-4.3280
CC(=O)Nc1ccc(F)cc1	-1.7800
CCc1cccc(CC)c1N(COC)C(=O)CCl 	-3.2600
C1CCC=CC1	-2.5900
CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C2CCC1(O)C(=O)CO	-3.0900
c1cncnc1	1.1000
Clc1ccc(cc1)N(=O)=O	-2.9200
CCC(=O)OC	-0.1400
Clc1ccccc1N(=O)=O	-2.5500
CCCCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1	-4.7700
CN1CC(O)N(C1=O)c2nnc(s2)C(C)(C)C	-1.8770
O=N(=O)c1ccccc1	-1.8000
Ic1ccccc1	-3.0100
CC2Nc1cc(Cl)c(cc1C(=O)N2c3ccccc3C)S(N)(=O)=O 	-3.7800
COc1ccccc1OCC(O)COC(N)=O	-0.9850
CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC 	-4.1900
Oc1cccc(Cl)c1Cl	-1.3000
CCCC(=O)OC	-1.9200
CCC(=O)Nc1ccc(Cl)c(Cl)c1	-3.0000
Nc3nc(N)c2nc(c1ccccc1)c(N)nc2n3	-2.4040
CCCCCC(=O)OCC	-2.3500
OCC(O)C2OC1OC(OC1C2O)C(Cl)(Cl)Cl 	-1.8400
CN(C=Nc1ccc(C)cc1C)C=Nc2ccc(C)cc2C	-5.4700
COc1nc(NC(C)C)nc(NC(C)C)n1	-2.4780
CCCCCCC=C	-4.4400
Cc1ccc(N)cc1	-1.2100
Nc1nccs1 	-0.3600
c1ccccc1(OC(=O)NC)	-1.8030
CCCC(O)CC	-0.8000
c3ccc2c(O)c1ccccc1cc2c3 	-4.7300
Cc1ccc2cc3ccccc3cc2c1	-6.9600
Cc1cccc(C)c1C	-3.2000
CNC(=O)Oc1ccc(N(C)C)c(C)c1	-2.3600
CCCCCCCC(C)O	-2.7400
CN(C(=O)NC(C)(C)c1ccccc1)c2ccccc2	-3.3500
CCCC(=O)CC	-0.8300
Oc1c(Br)cc(C#N)cc1Br 	-3.3300
Clc1ccc(cc1Cl)c2ccccc2 	-6.3900
CN(C(=O)COc1nc2ccccc2s1)c3ccccc3	-4.8730
Oc1cccc2ncccc12 	-2.5400
CC1=C(SCCO1)C(=O)Nc2ccccc2	-3.1400
CCOc2ccc1nc(sc1c2)S(N)(=O)=O 	-3.8100
Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	-4.2800
ClCBr	-0.8900
CCC1(CC)C(=O)NC(=O)N(C)C1=O 	-2.2300
CC(=O)OCC(=O)C3CCC4C2CCC1=CC(=O)CCC1(C)C2CCC34C 	-4.6300
NC(=O)NCc1ccccc1 	-0.9500
CN(C)C(=O)Nc1ccc(C)c(Cl)c1	-3.4830
CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1	-3.5920
OC1CCCCCC1	-0.8800
CS(=O)(=O)c1ccc(cc1)C(O)C(CO)NC(=O)C(Cl)Cl 	-2.1540
CCCC(C)C1(CC)C(=O)NC(=S)NC1=O 	-3.3600
CC(=O)Nc1nnc(s1)S(N)(=O)=O 	-2.3600
Oc1ccc(cc1)N(=O)=O	-0.7400
ClC1=C(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C2(Cl)Cl	-6.3070
C1CCOC1	0.4900
Nc1ccccc1N(=O)=O	-1.9600
Clc1cccc(c1Cl)c2cccc(Cl)c2Cl	-7.2800
CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3 	-3.8100
Cc1c(cccc1N(=O)=O)N(=O)=O	-3.0000
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C	-4.4200
CCN(CC)c1nc(Cl)nc(n1)N(CC)CC	-4.4110
ClC(Cl)C(Cl)(Cl)SN2C(=O)C1CC=CCC1C2=O 	-5.4000
c1(Br)c(Br)cc(Br)cc1	-4.5000
OC3N=C(c1ccccc1)c2cc(Cl)ccc2NC3=O 	-3.9520
O=C1NC(=O)NC(=O)C1(C(C)CCC)CC=C	-2.3560
c1(O)c(C)ccc(C(C)C)c1	-2.0800
C1SC(=S)NC1(=O)	-1.7700
Oc1ccc(c(O)c1)c3oc2cc(O)cc(O)c2c(=O)c3O 	-3.0830
ClC1(C(=O)C2(Cl)C3(Cl)C14Cl)C5(Cl)C2(Cl)C3(Cl)C(Cl)(Cl)C45Cl	-5.2590
CCN(CC)C(=S)SSC(=S)N(CC)CC	-4.8600
C1CCCCC1	-3.1000
ClC1=C(Cl)C(Cl)(C(=C1Cl)Cl)C2(Cl)C(=C(Cl)C(=C2Cl)Cl)Cl	-7.2780
CN(C)C=Nc1ccc(Cl)cc1C	-2.8600
CC34CCc1c(ccc2cc(O)ccc12)C3CCC4=O	-5.2400
CCCCCCCCO	-2.3900
CCSCC	-1.3400
ClCCCl	-1.0600
CCC(C)(C)Cl	-2.5100
ClCCBr	-1.3200
Nc1ccc(cc1)N(=O)=O	-2.3700
OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O	-0.2440
CCN2c1ncccc1N(CC)C(=O)c3cccnc23 	-2.8600
Clc1ccccc1	-2.3800
CCCCCCCC=C	-5.0500
Brc1ccc(I)cc1	-4.5600
CCC(C)(O)CC	-0.3600
CCCCCc1ccccc1	-4.6400
NC(=O)NC1NC(=O)NC1=O 	-1.6000
OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23	-4.5710
ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2	-7.2000
CC(=O)OC3CCC4C2CCC1=CC(=O)CCC1(C)C2CCC34C 	-5.1840
Clc1cccc2ccccc12	-3.9300
CCN2c1ccccc1N(C)C(=O)c3ccccc23 	-4.7490
CCCCC(C)O	-0.8900
CCCC1CCCC1	-4.7400
CCOC(=O)c1cncn1C(C)c2ccccc2	-4.7350
Oc1ccc(Cl)c(Cl)c1	-1.2500
CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2	-8.0170
c2ccc1ocnc1c2	-1.1600
CCCCCO	-0.6000
CCN(CC)c1ccccc1	-3.0300
Fc1cccc(F)c1	-2.0000
ClCCC#N 	-0.2900
CC(C)(C)Cc1ccccc1	-4.1500
O=C1NC(=O)NC(=O)C1(CC)c1ccccc1	-2.3220
Clc1ccccc1I	-3.5400
c2ccc1[nH]nnc1c2	-0.7800
CNC(=O)Oc1cccc2CC(C)(C)Oc12	-2.8000
Cc1cccc(C)c1O	-1.2900
CC(C)C(C)O	-0.1800
c1ccccc1C(O)c2ccccc2	-2.5500
CCCCCCCCCC(=O)OC	-4.6900
COP(=S)(OC)Oc1ccc(cc1Cl)N(=O)=O	-4.3100
CC(C)CBr	-2.4300
CCI	-1.6000
CN(C)C(=O)Oc1nc(nc(C)c1C)N(C)C	-1.9500
CCCCCCBr	-3.8100
CCCC(C)C	-3.7400
Cc1c(F)c(F)c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)c(F)c1F	-7.3210
CCc1cccc(C)c1N(C(C)COC)C(=O)CCl 	-2.7300
ON=Cc1ccc(o1)N(=O)=O 	-2.1900
CC(C)C(Nc1ccc(cc1Cl)C(F)(F)F)C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2	-8.0030
Nc1nc[nH]n1	0.5220
BrC(Br)Br	-1.9100
COP(=O)(OC)C(O)C(Cl)(Cl)Cl	-0.2200
CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc12	-5.2330
OCc1ccccc1	-0.4000
O=c2c(C3CCCc4ccccc43)c(O)c1ccccc1o2 	-2.8400
Oc1ccc(Br)cc1	-1.0900
CC(C)Br	-1.5900
CC(C)CC(C)(C)C	-4.7400
O=N(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O	-2.8900
CN2C(=O)CN=C(c1ccccc1)c3cc(ccc23)N(=O)=O	-3.7960
CCC	-1.9400
Nc1cc(nc(N)n1=O)N2CCCCC2 	-1.9890
Nc2cccc3nc1ccccc1cc23 	-4.2200
c1ccc2cc3c4cccc5cccc(c3cc2c1)c45	-8.4900
OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl	-5.6660
C1Cc2cccc3cccc1c23	-4.6300
CCOP(=S)(OCC)SC(CCl)N2C(=O)c1ccccc1C2=O	-6.3400
Brc1ccc(Br)cc1	-4.0700
Cn2c(=O)on(c1ccc(Cl)c(Cl)c1)c2=O	-2.8200
Oc1ccc(cc1)c2ccccc2	-3.4800
CC1=C(CCCO1)C(=O)Nc2ccccc2 	-2.5600
CCOC=C	-0.8500
CCC#C	-1.2400
COc1ncnc2nccnc12 	-1.1100
CCCCC(C)(O)CC	-1.6000
Clc1ccc(Cl)cc1	-3.2700
O=C1N(COC(=O)C)C(=O)C(N1)(c2ccccc2)c3ccccc3	-4.4700
CSCS(=O)CC(CO)NC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O	-1.9810
Cc1c[nH]c2ccccc12 	-2.4200
COc2ncc1nccnc1n2	-1.1100
CNC(=O)Oc1ccccc1C2OCCO2	-1.5700
C1N(C(=O)NCC(C)C)C(=O)NC1	-2.1500
CC#N	0.2600
CCOC(=O)NCCOc2ccc(Oc1ccccc1)cc2	-4.7000
CC(=O)N(S(=O)c1ccc(N)cc1)c2onc(C)c2C 	-3.5900
ClCC(Cl)(Cl)Cl	-2.1800
CCCCO	0.0000
CC1CCCCC1NC(=O)Nc2ccccc2	-4.1100
Clc1cc(Cl)cc(Cl)c1	-4.4800
O=Cc1ccco1	-0.1000
CC(C)CCO	-0.5100
O=Cc2ccc1OCOc1c2 	-1.6300
CC(=C)C	-2.3300
O=Cc1ccccc1	-1.1900
CC(=C)C(=C)C	-2.4000
CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2CC(C)(C)Oc21)C(C)C	-4.7100
O2c1ccccc1N(C)C(=O)c3cccnc23 	-3.6720
C1c2ccccc2c3ccccc13	-5.0000
CC1CCCCC1	-3.8500
NC(=N)NS(=O)(=O)c1ccc(N)cc1 	-1.9900
COC(=O)c1ccc(O)cc1	-1.8270
CC1CCCO1	0.1100
CC3C2CCC1(C)C=CC(=O)C(=C1C2OC3=O)C	-3.0900
OCC2OC(Oc1ccccc1CO)C(O)C(O)C2O	-0.8500
CCCI	-2.2900
CCNc1nc(NC(C)C)nc(SC)n1	-3.0400
CCCO	0.6200
CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C	-3.8170
CCCC(C)O	-0.2900
OC(C(=O)c1ccccc1)c2ccccc2	-2.8500
Cc1ccc(O)c(C)c1	-1.1900
Clc1cccc(c1)N(=O)=O	-2.7700
Cc2c(N)c(=O)n(c1ccccc1)n2C	-0.6240
Clc1ccc(c(Cl)c1)c2cc(Cl)ccc2Cl 	-6.5700
ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	-4.9200
CCNc1nc(NC(C)(C)C)nc(SC)n1	-4.0000
CCC(C)CCO	-0.7100
Cc2ncc1nccnc1n2	-0.1200
CC23Cc1cnoc1C=C2CCC4C3CCC5(C)C4CCC5(O)C#C	-5.5070
CCCCI	-2.9600
Brc1ccc2ccccc2c1	-4.4000
CC1OC(CC(O)C1O)OC2C(O)CC(OC2C)OC8C(O)CC(OC7CCC3(C)C(CCC4C3CC(O)C5(C)C(CCC45O)C6=CC(=O)OC6)C7)OC8C 	-4.0810
FC(F)(F)c1ccccc1	-2.5100
CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC	-6.1440
c1ccc2c(c1)sc3ccccc23	-4.3800
Clc1ccc(c(Cl)c1)c2ccc(Cl)c(Cl)c2Cl 	-7.8000
Clc1ccc(c(Cl)c1Cl)c2ccc(Cl)c(Cl)c2Cl 	-8.0100
CC(=O)CC(c1ccccc1)c3c(O)c2ccccc2oc3=O 	-3.8930
c1ccccc1C(O)C(O)c2ccccc2	-1.9300
COC(=O)c1ccccc1C(=O)OC	-1.6600
CCCCCCCC(=O)OCC	-3.3900
CCSSCC	-2.4200
CCOCCOCC	-0.7700
Clc1cc(Cl)c(Cl)cc1Cl	-5.5600
Nc1ccc(cc1)c2ccc(N)cc2	-2.7000
CCCCCC=C	-3.7300
CCCCc1c(C)nc(NCC)[nH]c1=O	-3.0280
O=C1NC(=O)NC(=O)C1(CC)C(C)CCC	-2.3900
Nc1ccccc1Cl	-1.5200
COc1cccc(Cl)c1	-2.7800
CCCCN(CC)C(=O)SCCC	-3.5300
CCCCOC=O	-1.3700
CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C2CCC1(O)C(=O)CO	-3.1800
BrC(Cl)Cl	-1.5400
CC34CC(=O)C1C(CCC2=CC(=O)CCC12C)C3CCC4(=O) 	-3.4800
c1ccc(cc1)c2ccc(cc2)c3ccccc3	-7.1100
Oc1ccc(C=O)cc1	-0.9600
CBr	-0.7900
Cc1cc(ccc1NS(=O)(=O)C(F)(F)F)S(=O)(=O)c2ccccc2	-3.8000
CC(=O)CC(c1ccc(Cl)cc1)c2c(O)c3ccccc3oc2=O	-5.8390
CCc1ccc2ccccc2c1	-4.2900
Nc1c(C)c[nH]c(=O)n1 	-1.4580
Clc2c(Cl)c(Cl)c(c1ccccc1)c(Cl)c2Cl 	-7.9200
c1c(NC(=O)c2ccccc2(I))cccc1	-4.2100
Cc3cc2nc1c(=O)[nH]c(=O)nc1n(CC(O)C(O)C(O)CO)c2cc3C	-3.6850
Fc1ccccc1Br	-2.7000
Oc1ccc(Cl)cc1Cl	-1.5500
CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc2cccc(Oc3ccccc3)c2	-6.2910
CN2C(=C(O)c1ccccc1S2(=O)=O)C(=O)Nc3ccccn3 	-4.1600
O=C1N(COC(=O)CC)C(=O)C(N1)(c2ccccc2)c3ccccc3	-4.9070
C1CCCC1	-2.6400
Cc1ccccc1N	-2.2100
c1(OC)ccc(CC=C)cc1	-2.9200
CN(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1 	-2.9300
CC(C)C=C	-2.7300
Oc1ccccn1	1.0200
CC	-1.3600
Clc1ccccc1Cl	-3.0500
Sc2nc1ccccc1s2 	-3.1800
Clc1c(Cl)c(Cl)c(c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl 	-11.6000
COc2c1occc1cc3ccc(=O)oc23 	-3.6640
CC(=O)N	1.5800
Cc1cccc2ccccc12	-3.7000
CCN(CC)C(=O)C(C)Oc1cccc2ccccc12 	-3.5700
CC(O)C(C)(C)C	-0.6200
CCCC(=O)OCC	-1.3600
CC2=CC(=O)c1ccccc1C2=O 	-3.0300
c1ccc2c(c1)ccc3ccccc32	-5.2600
Cc1ccnc(C)c1	0.3800
CCCCCCCCCO	-3.0100
BrCBr	-1.1700
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO	-3.5900
Cc1ccc2cc(C)ccc2c1	-4.8900
CCSC(=O)N(CC(C)C)CC(C)C	-3.6800
O=N(=O)OCC(CON(=O)=O)ON(=O)=O 	-2.2200
Nc1cccc(c1)N(=O)=O	-2.1900
CCCCCl	-2.0300
ClC(Cl)(Cl)C(NC=O)N1C=CN(C=C1)C(NC=O)C(Cl)(Cl)Cl 	-4.1900
Cn2cc(c1ccccc1)c(=O)c(c2)c3cccc(c3)C(F)(F)F	-4.4450
Nc3cc2c1ccccc1ccc2c4ccccc34 	-6.2000
CC12CCC3C(CCc4cc(O)ccc34)C2CCC1=O	-3.9550
CCN2c1ccccc1N(C)C(=S)c3cccnc23 	-4.7060
CC1CO1	-0.5900
O=C3CN=C(c1ccccc1)c2cc(ccc2N3)N(=O)=O	-3.7960
CCNC(=S)NCC	-1.4600
Oc1cc(Cl)cc(Cl)c1Cl	-2.6700
CCCCC(=O)OC	-1.3400
Nc1ccccc1	-0.4100
Cc1cccc2c(C)cccc12	-4.6790
NS(=O)(=O)c2cc1c(NCNS1(=O)=O)cc2Cl 	-2.6300
C1=Cc2cccc3cccc1c23	-3.9600
CCCCCOC(=O)CC	-1.2800
CCNc1nc(NC(C)C)nc(OC)n1	-2.0840
c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45	-8.6990
CCBr	-1.0900
CCC#CCC	-1.9900
CC1OC(CC(O)C1O)OC2C(O)CC(OC2C)OC8C(O)CC(OC7CCC3(C)C(CCC4C3CCC5(C)C(CCC45O)C6=CC(=O)OC6)C7)OC8C 	-5.2930
CCC(=C)C	-2.7300
Oc1cccc2cccnc12 	-2.4200
C1CCc2ccccc2C1	-4.3700
Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4 	-2.9000
Brc1cc(Br)cc(Br)c1	-5.6000
COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl	-5.7200
Cc1cc(=O)[nH]c(=S)[nH]1	-2.4360
COc1cc(CC=C)ccc1O	-1.5600
O=C1NC(=O)NC(=O)C1(C(C)C)CC=C	-1.7080
c1cc2ccc3cccc4ccc(c1)c2c34	-6.1760
CCOC(C)OCC	-0.4300
CC1(C)CON(Cc2ccccc2Cl)C1=O	-2.3380
CCCCOCCO	-0.4200
Clc1c(Cl)c(Cl)c(N(=O)=O)c(Cl)c1Cl	-5.8200
CC12CCC(O)CC1CCC3C2CCC4(C)C3CCC4=O	-4.4020
FC(F)(F)c1cccc(c1)N2CC(CCl)C(Cl)C2=O	-4.0470
c1ccc2ncccc2c1	-1.3000
COC(=O)c1cc(O)c(O)c(O)c1 	-1.2400
OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F 	-1.8000
Clc2ccc1oc(=O)[nH]c1c2	-2.8310
Clc1ccc(c(Cl)c1)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl	-7.9200
O=C1NC(=O)C(=O)C(=O)N1 	-1.2500
ClCCCCl	-1.6200
Fc1cccc(Br)c1	-2.6700
Clc1ccc(Br)cc1	-3.6300
CC(C)C(C)C	-3.6500
CCC=C	-1.9400
Clc1ccc(Cl)c(c1)c2cc(Cl)c(Cl)c(Cl)c2Cl	-7.6800
Nc1cc[nH]c(=O)n1 	-1.1550
FC(F)(Cl)C(F)(Cl)Cl	-3.0400
CCC#N	0.2800
ClC(Cl)C(c1ccc(Cl)cc1)c2ccccc2Cl 	-6.5100
COc1ccccc1N(=O)=O	-1.9600
CC34CCC1C(CC=C2CC(O)CCC12C)C3CCC4=O	-4.1200
CC12CC2(C)C(=O)N(C1=O)c3cc(Cl)cc(Cl)c3	-4.8000
c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56	-9.0180
CCC(C)c1cc(cc(N(=O)=O)c1O)N(=O)=O 	-3.3800
c1c(OC)c(OC)C2C(=O)OCC2c1	-1.8990
OCC(O)CO	1.1200
COc1ccccc1O 	-1.9600
CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl 	-5.6700
Cc1c2ccccc2cc3ccccc13	-5.8900
Cc1cc(=O)n(c2ccccc2)n1C	0.7150
CCCCOC	-0.9900
Cc2cnc1cncnc1n2	-0.8540
CCNc1nc(Cl)nc(NCC)n1 	-4.5500
CN(C)C(=O)C	1.1100
CSc1nc(nc(n1)N(C)C)N(C)C	-2.6760
C=C	-0.4000
CC(C)(C)CCO	-0.5000
O=C1NC(=O)NC(=O)C1(CC)CC=C	-1.6140
Oc1ccc(Cl)c(Cl)c1Cl	-2.6700
COc1ccccc1	-1.8500
c1ccc(Cl)cc1C(c2ccc(Cl)cc2)(O)C(=O)OC(C)C	-4.5300
CC13CCC(=O)C=C1CCC4C2CCC(C(=O)CO)C2(CC(O)C34)C=O 	-3.8500
COc2ccc(Oc1ccc(NC(=O)N(C)C)cc1)cc2	-4.1600
CCc1ccc(C)cc1	-3.1100
CC(C)SC(C)C	-2.2400
O=N(=O)c1cccc(c1)N(=O)=O	-2.2900
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC	-5.5400
CCC1(C(C)C)C(=O)NC(=O)NC1=O 	-2.2100
CC(=O)OCC(=O)C3(O)CCC4C2CCC1=CC(=O)CCC1(C)C2C(=O)CC34C 	-4.2100
Cc1ncc(N(=O)=O)n1CCO	-1.2200
Nc1ccc(Cl)cc1	-1.6600
CCCC(C)(C)CO	-1.5200
c1ccoc1	-0.8200
COCCCNc1nc(NC(C)C)nc(SC)n1	-2.9280
CN(C)C(=O)NC1CC2CC1C3CCCC23	-3.1710
CC(C)(C)c1ccccc1	-3.6600
CC(=O)CCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3	-3.2700
CC(=O)OCC(=O)C3(O)CCC4C2CCC1=CC(=O)C=CC1(C)C2C(O)CC34C 	-4.3700
CCCOC	-0.3900
CC(C)OC(=O)C	-0.5500
Brc1ccccc1	-2.5500
CCOC(=O)c1ccc(O)cc1	-2.3500
O=C1N(COC(=O)CCC)C(=O)C(N1)(c2ccccc2)c3ccccc3	-5.0710
CCC(=O)OC3CCC4C2CCC1=CC(=O)CCC1(C)C2CCC34C 	-5.3700
c1cc2ccc3ccc4ccc5ccc6ccc1c7c2c3c4c5c67	-9.3320
O=c1[nH]cnc2[nH]ncc12 	-2.2660
ClC=C	-1.7500
CN(C)C(=O)C(c1ccccc1)c2ccccc2 	-2.9800
BrC(Br)(Br)Br	-3.1400
CCN2c1cc(N(C)C)cc(C)c1NC(=O)c3cccnc23 	-4.8710
O=C1NC(=O)c2ccccc12 	-2.6100
OC(c1ccc(Cl)cc1)(c2cncnc2)c3ccccc3Cl	-4.3800
COC(=O)c1ccccc1	-1.8500
Cn1ccc(=O)[nH]c1=O	-0.8070
CCCCC1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3 	-3.7300
Clc1ccc(Cl)c(c1)c2cccc(Cl)c2Cl 	-6.4700
CCC2NC(=O)c1cc(c(Cl)cc1N2)S(N)(=O)=O	-3.2900
CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1	-3.8000
C1CC=CC1	-2.1000
C1(=O)NC(=O)NC(=O)C1(O)C2(O)C(=O)NC(=O)NC2(=O)	-1.9900
CCCCCCCCC	-5.8800
Oc1ccccc1Cl	-1.0600
c1cccc2c3c(C)cc4ccccc4c3ccc12	-6.5900
CCOc1ccccc1	-2.3300
CCOC(=O)C=Cc1ccccc1	-3.0000
Cc1[nH]c(=O)n(c(=O)c1Cl)C(C)(C)C	-2.4840
Clc1ccccc1C2=NCC(=O)Nc3ccc(cc23)N(=O)=O	-3.4990
Cc1ccc(cc1)S(=O)(=O)N	-1.7400
CC(OC(=O)Nc1cccc(Cl)c1)C#C	-2.6170
CCCCCC(C)C	-5.0800
CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2	-8.1760
CCCC1C(=O)N3N(C1=O)c2cc(C)ccc2N=C3N(C)C 	-3.5380
CN2C(=O)CN=C(c1ccccc1)c3cc(Cl)ccc23	-3.7540
CCC(O)C(C)C	-0.7000
CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O 	-2.3000
CC1(C)C2CCC1(C)C(O)C2	-2.3200
CC12CCC3C(CCC4=CC(=O)CCC34C)C2CCC1O	-4.0200
CCCCCCC	-4.5300
Oc1cccc2ccccc12	-2.2200
C/C1CCCCC1\C	-4.3000
COc2cc1c(N)nc(nc1c(OC)c2OC)N3CCN(CC3)C(=O)OCC(C)(C)O 	-3.6380
C1Cc2c3c1cccc3cc4c2ccc5ccccc54	-7.8500
CC(=O)C3(C)CCC4C2C=C(C)C1=CC(=O)CCC1(C)C2CCC34C	-5.2700
CCCCCC(=O)C	-1.4500
COP(=O)(NC(C)=O)SC 	0.5400
CCCCSP(=O)(SCCCC)SCCCC	-5.1400
c1cC2C(=O)NC(=O)C2cc1	-2.9320
NS(=O)(=O)c2cc1c(NC(NS1(=O)=O)C(Cl)Cl)cc2Cl 	-2.6800
CC=C(C)C	-2.5600
Cc1ccc(C)c(C)c1	-3.3100
Oc1cc(Cl)c(Cl)cc1Cl	-2.2100
c1ccc2c(c1)cnc3ccccc23 	-2.7800
CCCC(C)(O)CC	-0.9800
CCCCCCCC	-5.2400
c1ccc2cc3ccccc3cc2c1	-6.3500
NNc1ccccc1	0.0700
CCC=O	0.5800
C1CCCCCCC1	-4.1500
O=C1NC(=O)NC(=O)C1(CC=C)CC=C	-2.0770
ClC(Cl)Cl	-1.1700
Sc1nccc(=O)[nH]1 	-2.2730
Clc1ccc(CN(C2CCCC2)C(=O)Nc3ccccc3)cc1	-5.9150
CC1=CCCCC1	-3.2700
CCCCC(CC)C=O	-2.1300
COc2c1occc1c(OC)c3c(=O)cc(C)oc23 	-3.0210
O=C1NC(=O)NC(=O)C1(CC)CCC(C)C	-2.6580
c1ccc2c3c(ccc2c1)c4cccc5cccc3c45	-8.0000
CCC(CC)C=O	-1.5200
CCCOCCC	-1.6200
CCCCCCCCCCCCCCO	-5.8400
Oc1c(Cl)ccc(Cl)c1Cl	-2.6400
NC(=O)N	0.9600
CCCC#C	-1.6400
Brc1cccc(Br)c1	-3.5400
CCCCCCCCCCCCCCCCCCO	-8.4000
CC(=O)Nc1ccccc1	-1.3300
c1cc(O)c(O)c2OCC3(O)CC4=CC(=O)C(O)=CC4=C3c21	-2.7000
c1nccc(C(=O)NN)c1	0.0090
OC1C=CC2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl 	-5.4600
CC(C)CCOC=O	-1.5200
CC(=O)c1ccccc1	-1.2800
c2ccc1nc(ccc1c2)c4ccc3ccccc3n4 	-5.4000
CCOP(=O)(OCC)OCC	0.4300
CC2(C)C1CCC(C)(C1)C2=O	-1.8500
COc2cnc1cncnc1n2	-0.9100
ClC2=C(Cl)C3(Cl)C1C=CCC1C2(Cl)C3(Cl)Cl 	-5.6400
CC(C)N(=O)=O	-0.6200
c1ccc2c(c1)[nH]c3ccccc32	-5.2700
OCC(O)C(O)CO	0.7000
CCCOC(=O)c1ccc(N)cc1	-2.4520
CNC(=O)C=C(C)OP(=O)(OC)OC	0.6510
O=C1CCC(=O)N1	0.3000
CCC(C)C(C)C	-4.2800
CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C 	-4.1600
CCN2c1ncccc1N(C)C(=S)c3cccnc23 	-4.6340
O2c1ccccc1N(CC)C(=O)c3ccccc23 	-3.6800
C1CCOCC1	-0.0300
CCCCCC#C	-3.0100
c1cc2ccc(OC)c(CC=C(C)(C))c2oc1=O 	-4.3140
c1cc(C)cc2c1c3cc4cccc5CCc(c45)c3cc2	-7.9200
CCOC(=O)c1ccccc1	-2.3200
ClCC(C)C	-2.0000
CC34CCC1C(CCc2cc(O)ccc12)C3CCC4(O)C#C 	-4.3000
CCCCCCCCCCCC(=O)OC	-4.6900
CCCSCCC	-2.5800
c1ccc2cc3cc4ccccc4cc3cc2c1	-8.6000
CCCCCBr	-3.0800
CCCC/C=C/C	-3.8200
Cc1ncc(N(=O)=O)n1CCO 	-1.2600
CCCCCC1CCCC1	-6.0800
Clc1ccc(Cl)c(c1)c2c(Cl)c(Cl)cc(Cl)c2Cl 	-7.4200
O=C1NC(=O)NC(=O)C1(CC)C(C)C	-2.1480
CC(Cl)(Cl)Cl	-2.0000
CON(C)C(=O)Nc1ccc(Cl)cc1	-2.5700
O=C2NC(=O)C1(CCCCC1)C(=O)N2	-3.0600
CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1 	-0.8500
Cc1ccc(Br)cc1	-3.1900
CCOCC	-0.0900
CC(C)NC(=O)N1CC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2	-4.3760
CCCCN(CC)c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O	-5.5300
Cc1cc(C)c(O)c(C)c1	-2.0500
c1ccccc1	-1.6400
Clc1ccc(I)cc1	-4.0300
COc1ccc(NC(=O)N(C)C)cc1Cl	-2.5640
CC(C)N(C(=O)CCl)c1ccccc1 	-2.4800
C=Cc1ccccc1	-2.8200
COCOC	0.4800
Cc1ccccc1C	-2.8000
CCC(C)O	0.4700
Oc1ccc(O)cc1	-0.1700
CC34CCC1C(CCc2cc(O)ccc12)C3CC(O)C4O 	-4.9550
C1c2ccccc2c3cc4ccccc4cc13	-8.0400
O=C1CNC(=O)N1 	-0.4000
c1(O)cc(O)ccc1CCCCCC	-2.5900
C=CCS(=O)SCC=C	-0.8300
CCOP(=S)(OCC)Oc2ccc1oc(=O)c(Cl)c(C)c1c2	-5.3820
Cc1c(C)c2c3ccccc3ccc2c4ccccc14	-7.0100
CCCCC(=O)OC3(C(C)CC4C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC34C)C(=O)CO	-4.7100
O=c2[nH]c(=O)c1[nH]c(=O)[nH]c1[nH]2 	-3.9300
Oc1c(Cl)cc(Cl)c(Cl)c1Cl	-3.1000
Clc1cccc(Cl)c1	-3.0400
Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl	-7.1500
CC(C)COC=O	-1.0100
c1ccccc1SC	-2.3900
CCN2c1nc(C)cc(C(F)(F)F)c1NC(=O)c3cccnc23 	-4.2070
CCCCCC	-3.8400
COC(=O)c1cccnc1 	-0.4600
NS(=O)(=O)c3cc2c(NC(Cc1ccccc1)NS2(=O)=O)cc3C(F)(F)F	-3.5900
Clc1ccc(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl 	-7.8200
CC1(OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2)C=C	-4.9250
CCNc1nc(Cl)nc(NC(C)(C)C#N)n1	-3.1500
c1ccc2c(c1)c3ccccc3c4ccccc24	-6.7260
CC=C(C(=CC)c1ccc(O)cc1)c2ccc(O)cc2	-4.9500
CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC	-6.9600
CCc1ccccn1	0.5100
COP(=O)(OC)OC(Br)C(Cl)(Cl)Br	-2.2800
c1ccc(cc1)c2ccccc2	-4.3450
Clc1cc(Cl)c(c(Cl)c1)c2c(Cl)cc(Cl)cc2Cl 	-8.7100
CN(C)c1nc(nc(n1)N(C)C)N(C)C	-3.3640
CC(C)CC(C)(C)O	-0.9200
O=C2NC(=O)C1(CCCCCC1)C(=O)N2 	-3.1680
OCC1OC(O)(CO)C(O)C1O	0.6400
Cc1cc(C)cc(O)c1	-1.4000
ClCC#CCOC(=O)Nc1cccc(Cl)c1	-4.3700
CC(=O)Nc1ccc(Cl)cc1	-2.8430
Clc1ccc(Cl)c(c1)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl	-8.9400
CCC(C)(C)C	-3.5500
CNc1ccccc1	-1.2800
C=CCC=C	-2.0900
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C	-4.8800
Cc1cc(cc(N(=O)=O)c1O)N(=O)=O	-1.4560
OC3N=C(c1ccccc1Cl)c2cc(Cl)ccc2NC3=O	-3.6040
Oc1cccc(Cl)c1	-0.7000
Clc1cccc(Br)c1	-3.2100
NS(=O)(=O)c2cc1c(N=CNS1(=O)=O)cc2Cl 	-3.0500
O=C1NC(=O)NC(=O)C1(C)CC	-1.2280
OCCOc1ccccc1	-0.7000
C(c1ccccc1)c2ccccc2	-4.0800
CCCCCC(O)CC	-1.9800
CCN(Cc1c(F)cccc1Cl)c2c(cc(cc2N(=O)=O)C(F)(F)F)N(=O)=O	-6.7800
CC(C)Nc1nc(Cl)nc(NC(C)C)n1	-4.4300
CCCC(C)CO	-1.1100
CCCCC(C)(C)O	-1.0800
CCc1ccccc1	-2.7700
O=C1NC(=O)NC(=O)C1(CC)CC=C(C)C	-2.2530
ClC1C=CC2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl	-6.3170
CCC(C)C1(CC(Br)=C)C(=O)NC(=O)NC1=O 	-2.6470
CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C	-6.0250
COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C	-5.1900
CCOC(=O)CC	-0.6600
CSc1nc(NC(C)C)nc(NC(C)C)n1	-4.1000
CC(C#C)N(C)C(=O)Nc1ccc(Cl)cc1	-3.9000
Cc1cc2ccccc2cc1C	-4.7200
Clc1ccc(cc1)c2cc(Cl)ccc2Cl 	-6.2500
Clc1ccc(c(Cl)c1)c2cc(Cl)c(Cl)c(Cl)c2Cl 	-7.3900
NC(N)=NC#N 	-0.3100
ClC(Cl)(Cl)N(=O)=O	-2.0000
Clc1cccc(Cl)c1c2ccccc2 	-5.2100
COc1ccc(C=O)cc1	-1.4900
CC(=O)Nc1ccc(cc1)N(=O)=O	-2.6920
CCCCCCC(=O)OCC	-2.7400
CC(=O)Nc1ccc(O)cc1	-1.0300
c2ccc1[nH]ncc1c2 	-2.1600
CC5(C)OC4CC3C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O5)C(=O)CO 	-4.3100
Nc2nc1[nH]cnc1c(=O)[nH]2 	-3.5830
COC(=O)C	0.4600
CC34CCC1C(CCC2CC(=O)CCC12C)C3CCC4O 	-4.7430
CCCC(O)C=C	-0.5900
OC(C1=CC2C5C(C1C2=C(c3ccccc3)c4ccccn4)C(=O)NC5=O)(c6ccccc6)c7ccccn7 	-3.9310
CCCCOCCCC	-1.8500
CCCCCCCCCCCCO	-4.8000
CCN2c1nc(N(C)(CCO))ccc1NC(=O)c3cccnc23 	-3.3600
CCCC(C)(C)O	-0.4900
Nc1nc(=O)[nH]cc1F	-0.9720
CCCCOc1ccc(C(=O)OCC)c(c1)N(CC)CC 	-3.8400
CCCCCC(C)(C)O	-1.7200
Cc1c(C)c(C)c(C)c(C)c1C	-5.2300
CC(C)c1ccc(C)cc1O	-2.2200
c2cnc1ncncc1n2	0.0200
CCOP(=S)(OCC)Oc1ccc(cc1)N(=O)=O	-4.6600
C	-0.9000
c2ccc1NCCc1c2 	-1.0400
O=N(=O)c1cccc2ccccc12	-3.5400
CCC(C)C(=O)C	-0.6700
Nc1nc(O)nc2nc[nH]c12 	-3.4010
OC(CC(c1ccccc1)c3c(O)c2ccccc2oc3=O)c4ccc(cc4)c5ccc(Br)cc5 	-4.4450
CN(=O)=O	0.2600
CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl	-4.8800
C=CCCC=C	-2.6800
c2ccc1[nH]ccc1c2	-1.5200
CC34CCC1C(CCC2=CC(=O)CCC12C)C3CCC4=O	-3.6900
CCCCC=C	-3.2300
Cc1cccc(C)c1NC(=O)c2cc(c(Cl)cc2O)S(N)(=O)=O	-3.7900
CCC1CCCCC1	-4.2500
CCCCCCCC(=O)C	-2.5800
COC(=O)Nc2nc1ccc(cc1[nH]2)C(=O)c3ccccc3	-3.8800
CC(C)OC(=O)Nc1cccc(Cl)c1	-3.3800
CCN2c1nc(Cl)ccc1N(C)C(=O)c3cccnc23 	-4.1140
CNC(=O)Oc1cccc2ccccc12	-3.2240
C#C	0.2900
Cc1cncc(C)c1	0.3800
C1C=CCC=C1	-2.0600
CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC	-2.5180
CC(O)c1ccccc1	-0.9200
CC(Cl)CCl	-1.6000
CCCC=C(CC)C=O	-2.4600
CCOP(=S)(OCC)SCCSCC	-4.2300
CC(=O)OC3(C)CCC4C2CCC1=CC(=O)CCC1(C)C2CCC34C 	-5.2840
Clc1ccc(cc1)c2c(Cl)cccc2Cl 	-6.1400
Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2	-6.0200
Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl	-4.4600
c1(C(=O)OCCCCCC(C)(C))c(C(=O)OCCCCCC(C)(C))cccc1	-6.6370
CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C2CCC1C(=O)CO	-3.2400
Cc1cc(C)cc(C)c1	-3.4000
CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC 	-5.1150
CCCCCCCCCCCCCCCO	-6.3500
Clc1cccc(Cl)c1c2c(Cl)cccc2Cl 	-7.3900
O=C1NC(=O)NC(=O)C1(C)C	-1.7420
CC(C)I	-2.0900
O=N(=O)c1ccccc1N(=O)=O	-3.1000
CC(C)C(=O)C	-0.1200
CCCCCCCCCCCCCCCC	-8.4000
CC12CCC(CC1)C(C)(C)O2	-1.7400
Cc2cccc3sc1nncn1c23 	-2.0700
CCCCCCC(=O)C	-2.0500
CCCCCCCCC(=O)OC	-3.3800
Fc1ccc(F)cc1	-1.9700
O=C1N(C2CCC(=O)NC2=O)C(=O)c3ccccc13	-2.6760
CCCN(CCC)c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O	-5.6800
CCO	1.1000
O=C2NC(=O)C1(CCCC1)C(=O)N2	-2.3490
c1c(NC(=O)OC(C)C(=O)NCC)cccc1	-1.8300
CC(C)=CC3C(C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C 	-5.2400
CN(C)C(=O)NC1CCCCCCC1	-2.2180
ClC1(C2(Cl)C3(Cl)C4(Cl)C5(Cl)C1(Cl)C3(Cl)Cl)C5(Cl)C(Cl)(Cl)C24Cl	-6.8000
CCCCCCCCBr	-5.0600
CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc12	-4.8830
CN(C)c2c(C)n(C)n(c1ccccc1)c2=O 	-0.3640
CCC(O)CC	-0.2400
Cc1ccc(cc1)N(=O)=O	-2.4900
CC(C)CCCO	-1.1400
CC34CCC1C(CCC2=CC(=O)CCC12O)C3CCC4(O)C#C	-4.5700
CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c2ccc(Br)cc2 	-4.9300
Nc2cnn(c1ccccc1)c(=O)c2Cl	-2.8780
CCC(C)(C)O	0.1500
Cc1ccc(O)cc1	-0.7300
CCOC=O	0.1500
CN(C)c1ccccc1	-1.9200
C1CCC2CCCCC2C1	-5.1900
CCCCS	-2.1800
c1ccc2c(c1)c3cccc4ccc5cccc2c5c43	-7.8000
ClC(=C(Cl)Cl)Cl	-2.5400
CCC(=O)CC	-0.2800
C=CC#N	0.1500
CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO	-5.6130
CCCCC(=O)C	-0.8000
CCNc1nc(NC(C)(C)C)nc(OC)n1	-3.2390
CCCCC(C)CC	-5.1600
BrCCBr	-1.6800
CNC(=O)Oc1ccccc1C(C)C	-2.8630
O=C1NCCN1c2ncc(s2)N(=O)=O	-3.2200
C1c2ccccc2c3ccc4ccccc4c13	-6.6800
COc1ccccc1Cl	-2.4600
COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl	-6.0900
ClC(Cl)CC(=O)NC2=C(Cl)C(=O)c1ccccc1C2=O	-5.0300
ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2 	-7.2000
COC(=O)C=C	-0.2200
CN(C)C(=O)Nc2ccc(Oc1ccc(Cl)cc1)cc2	-4.8900
N(=Nc1ccccc1)c2ccccc2	-4.4500
CC(C)c1ccc(C)cc1	-3.7700
Oc1c(Cl)cccc1Cl	-1.7900
OCC2OC(OC1(CO)OC(CO)C(O)C1O)C(O)C(O)C2O 	0.7900
OC1C(O)C(O)C(O)C(O)C1O	0.3500
Cn2c(=O)n(C)c1ncn(CC(O)CO)c1c2=O	-0.1700
OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)N(=O)=O	-2.1110
CCC(O)(CC)CC	-0.8500
CC45CCC2C(CCC3CC1SC1CC23C)C4CCC5O	-5.4100
Brc1ccccc1Br	-3.5000
Oc1c(Cl)cc(Cl)cc1Cl	-2.3400
CCCN(CCC)c1c(cc(cc1N(=O)=O)S(N)(=O)=O)N(=O)=O	-5.1600
C2c1ccccc1N(CCF)C(=O)c3ccccc23 	-4.7990
CC(C)C(=O)C(C)C	-1.3000
O=C1NC(=O)NC(=O)C1(C(C)C)CC=C(C)C	-2.5930
c1c(O)C2C(=O)C3cc(O)ccC3OC2cc1(OC)	-2.9430
Cn1cnc2n(C)c(=O)n(C)c(=O)c12	-0.8760
CC(=O)SC4CC1=CC(=O)CCC1(C)C5CCC2(C)C(CCC23CCC(=O)O3)C45	-4.1730
Cc1ccc(O)cc1C	-1.3800
O(c1ccccc1)c2ccccc2	-3.9600
Clc1cc(Cl)c(cc1Cl)c2cc(Cl)c(Cl)cc2Cl 	-8.5600
NC(=O)c1cccnc1 	0.6100
Sc1ccccc1	-2.1200
CNC(=O)Oc1cc(C)cc(C)c1	-2.5810
ClC1CC2C(C1Cl)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl	-6.8600
CSSC	-1.4400
NC(=O)c1ccccc1	-0.9600
Clc1ccccc1Br	-3.1900
COC(=O)c1ccccc1OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O	-0.7420
CCCCC(O)CC	-1.4700
CCN2c1nc(C)cc(C)c1NC(=O)c3cccnc23 	-4.5540
Oc1cc(Cl)cc(Cl)c1	-1.3400
Cc1cccc2c1ccc3ccccc32	-5.8500
CCCCC(CC)CO	-2.1100
CC(C)N(C(C)C)C(=O)SCC(=CCl)Cl	-4.2860
Cc1ccccc1	-2.2100
Clc1cccc(n1)C(Cl)(Cl)Cl	-3.7600
C1CCC=CCC1	-3.1800
CN(C)C(=S)SSC(=S)N(C)C 	-3.9000
COC1=CC(=O)CC(C)C13Oc2c(Cl)c(OC)cc(OC)c2C3=O	-3.2460
CCCCCCCCCCO	-3.6300
CCC(C)(C)CC	-4.2300
CNC(=O)C(C)SCCSP(=O)(OC)(OC)	1.1440
Oc1cc(Cl)c(Cl)c(Cl)c1Cl	-3.1500
CCCC=O	-0.0100
CC4CC3C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O)C(=O)COC(C)=O 	-4.9000
CCCC	-2.5700
COc1ccccc1O	-1.9600
CC1CC2C3CCC(O)(C(=O)C)C3(C)CC(O)C2(F)C4(C)C=CC(=O)C=C14	-4.0990
ClC(Cl)C(Cl)(Cl)Cl	-2.6000
CCOC(=O)c1ccccc1C(=O)OCC	-2.3500
CC(C)CO	0.1000
CC(C)Cc1ccccc1	-4.1200
ICI	-2.3400
CCCC(O)CCC	-1.4000
CCCCCOC(=O)C	-1.8900
Oc1c(Cl)c(Cl)cc(Cl)c1Cl	-3.3700
CCCc1ccccc1	-3.3700
FC(F)(Cl)C(F)(F)Cl	-2.7400
CC=CC=O	0.3200
CN(C)C(=O)N(C)C 	0.9400
Cc1cc(C)c(C)cc1C	-4.5900
CC(=O)OC3(CCC4C2CCC1=CC(=O)CCC1C2CCC34C)C#C	-4.8000
CCOP(=S)(OCC)N2C(=O)c1ccccc1C2=O	-3.3500
c1ccccc1NC(=O)c2c(O)cccc2	-3.5900
CCN(CC)C(=S)SCC(Cl)=C	-3.3900
ClCC	-1.0600
CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C	-3.2400
O=C(C=CC=Cc2ccc1OCOc1c2)N3CCCCC3	-3.4600
CC/C=C\C	-2.5400
CNC(=O)ON=C(CSC)C(C)(C)C 	-1.6200
O=C2NC(=O)C1(CCCCCCC1)C(=O)N2	-2.9820
c1(C(C)(C)C)cc(C(C)(C)C)cc(OC(=O)NC)c1	-4.2400
Oc2cc(O)c1C(=O)CC(Oc1c2)c3ccc(O)c(O)c3	-3.6200
O=C(c1ccccc1)c2ccccc2	-3.1200
CCCCCCCCCCCCCCCCCCCC	-8.1720
N(Nc1ccccc1)c2ccccc2 	-2.9200
CCC(CC)CO	-1.1700
Oc1ccncc1	1.0200
Cl\C=C/Cl	-1.3000
CC1CCCC1	-3.3000
CC(C)CC(C)O	-0.8000
O2c1ccc(N)cc1N(C)C(=O)c3cc(C)ccc23 	-3.9280
CC(C)(C)CO	-0.4000
CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2	-3.6100
Cc1cc(no1)C(=O)NNCc2ccccc2	-2.4610
CC=C	-1.0800
Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O	-3.9530
CCOC(=O)Nc2cccc(OC(=O)Nc1ccccc1)c2 	-4.6320
O=C1c2ccccc2C(=O)c3ccccc13	-5.1900
CCCCCCC(C)O	-2.0900
CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1	-2.2810
CCCCc1ccccc1	-4.0600
O=C1NC(=O)C(=O)N1 	-0.4000
COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	-6.2370
NS(=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23	-3.4510
CC(C)COC(=O)C	-1.2100
CC(C)C(C)(C)C	-4.3600
Clc1ccc(c(Cl)c1Cl)c2c(Cl)cc(Cl)c(Cl)c2Cl 	-7.6600
N#Cc1ccccc1C#N	-2.3800
Cc1cccc(c1)N(=O)=O	-2.4400
FC(F)(F)C(Cl)Br 	-1.7100
CNC(=O)ON=C(SC)C(=O)N(C)C	0.1060
CCSCCSP(=S)(OC)OC	-3.0910
CCC(C)C	-3.1800
COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl	-4.5220