Datasets:
zpn
/
delaney

Dataset card Viewer Files Community
smiles
stringlengths
1
97
selfies
stringlengths
3
508
target
float64
-4.23
2.15
c1ccc(-c2ccccc2)cc1
[C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N]
-0.715201
Clc1cc(Cl)c(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1
[Cl][C][=C][C][Branch1][C][Cl][=C][Branch1][S][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][C][Branch1][C][Cl][=C][Ring1][P]
-2.82724
Clc1ccc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1
[Cl][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][=Branch1][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][#Branch2][Cl][=C][Ring2][Ring1][C]
-2.938527
Clc1ccc(-c2cc(Cl)ccc2Cl)cc1
[Cl][C][=C][C][=C][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][=C]
-1.63695
Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1
[Cl][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl][C][Branch1][C][Cl][=C][Ring1][P]
-2.188548
Clc1cccc(Cl)c1-c1ccccc1
[Cl][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
-1.133738
Clc1ccc(-c2c(Cl)cccc2Cl)cc1
[Cl][C][=C][C][=C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][=C]
-1.583726
Clc1cccc(Cl)c1-c1c(Cl)cccc1Cl
[Cl][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl]
-2.188548
Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl
[Cl][C][=C][C][Branch1][C][Cl][=C][Branch1][S][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][C][=C][Ring1][S][Cl]
-2.754661
Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl
[Cl][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl][C][Branch1][C][Cl][=C][Ring1][P][Cl]
-2.319189
Clc1ccc2ccccc2c1
[Cl][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
-0.616011
Cc1ccc(C)c2ccccc12
[C][C][=C][C][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1]
-0.616011
Cc1cc(C)c2ccccc2c1
[C][C][=C][C][Branch1][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][O]
-0.688589
CCc1cccc2ccccc12
[C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
-0.630526
Brc1cccc2ccccc12
[Br][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
-0.717621
Nc1cccc2ccccc12
[N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
0.458153
Oc1ccc2ccccc2c1
[O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
0.283964
Brc1ccc2ccccc2c1
[Br][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
-0.741814
c1ccc2ccccc2c1
[C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
-0.354728
Ic1cccc2ccccc12
[I][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
-0.814392
Cc1ccc2ccccc2c1
[C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
-0.436983
Clc1cccc2ccccc12
[Cl][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
-0.514401
Brc1ccc2ccccc2c1
[Br][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
-0.741814
CCc1ccc2ccccc2c1
[C][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
-0.688589
Cc1cccc2ccccc12
[C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
-0.403113
CCN(CC)C(=O)C(C)Oc1cccc2ccccc12
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
-0.340212
Cc1ccc2cc(C)ccc2c1
[C][C][=C][C][=C][C][=C][Branch1][C][C][C][=C][C][Ring1][#Branch1][=C][Ring1][O]
-0.978904
Cc1cccc2c(C)cccc12
[C][C][=C][C][=C][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][O][Ring1][#Branch1]
-0.87681
Oc1cccc2ccccc12
[O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
0.312996
Cc1cc2ccccc2cc1C
[C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C]
-0.896648
O=[N+]([O-])c1cccc2ccccc12
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
-0.325696
CNC(=O)Oc1cccc2ccccc12
[C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
-0.172797
CCCCC1(CC)C(=O)NC(=O)NC1=O
[C][C][C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][#Branch2][=O]
0.583472
CCC1(CCC(C)C)C(=O)NC(=O)NC1=O
[C][C][C][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][=N][=O]
0.192999
CCC(C)C1(CC)C(=O)NC(=O)NC1=O
[C][C][C][Branch1][C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][#Branch2][=O]
0.23074
C=CCC1(C)C(=O)NC(=O)NC1=O
[C][=C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][=Branch2][=O]
0.825885
C=CCC1(C(C)CC)C(=O)NC(=O)NC1=O
[C][=C][C][C][Branch1][#Branch1][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][N][=O]
0.411703
CC(C)C1(C(C)C)C(=O)NC(=O)NC1=O
[C][C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][O][=O]
0.04881
CCC1(CC)C(=O)NC(=O)NC1=O
[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][#Branch2][=O]
0.225901
CCC1(CC)C(=O)NC(=O)N(C)C1=O
[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][O][=O]
0.308157
C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O
[C][=C][C][C][Branch1][Branch2][C][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][=N][=O]
0.247191
CCCC(C)C1(CC)C(=O)NC(=O)NC1=O
[C][C][C][C][Branch1][C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][#Branch2][=O]
0.23074
C=CCC1(C(C)C)C(=O)NC(=O)NC1=O
[C][=C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][O][=O]
0.560731
C=CCC1(CC)C(=O)NC(=O)NC1=O
[C][=C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][#Branch2][=O]
0.606213
CCC1(C(C)C)C(=O)NC(=O)NC1=O
[C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][O][=O]
0.317834
C=CCC1(CC=C)C(=O)NC(=O)NC1=O
[C][=C][C][C][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][O][=O]
0.382187
CCC1(CCC(C)C)C(=O)NC(=O)NC1=O
[C][C][C][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][=N][=O]
0.101066
CCC1(C(C)C)C(=O)NC(=O)NC1=O
[C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][O][=O]
0.347833
CCC1(C)C(=O)NC(=O)NC1=O
[C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][=Branch2][=O]
0.792982
CCC1(CC=C(C)C)C(=O)NC(=O)NC1=O
[C][C][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][=N][=O]
0.297028
C=C(Br)CC1(C(C)CC)C(=O)NC(=O)NC1=O
[C][=C][Branch1][C][Br][C][C][Branch1][#Branch1][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][N][=O]
0.106389
CC1(C)C(=O)NC(=O)NC1=O
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][=Branch2][=O]
0.54428
CC(C)=CCC1(C(C)C)C(=O)NC(=O)NC1=O
[C][C][Branch1][C][C][=C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][O][=O]
0.132517
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12
[C][C][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][O][C][C][C][Branch1][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][C][C][Ring1][=C][Ring1][#Branch2]
-0.282149
CC12CCC(=O)C=C1CCC1C3CCC(O)(C(=O)CO)C3(C)CC(O)C12F
[C][C][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C][C][C][C][C][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][Ring1][#Branch2][Branch1][C][C][C][C][Branch1][C][O][C][Ring1][S][Ring2][Ring1][=Branch2][F]
-0.272472
C#CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C
[C][#C][C][Branch1][C][O][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring1][S][Ring2][Ring1][Ring2][C]
-1.351474
CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(C)O
[C][C][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][O][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][C][Ring1][=Branch1][Branch1][C][C][O]
-0.547787
CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO
[C][C][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][O][C][Branch1][C][O][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][C][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O]
-0.10796
CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
[C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring2][Ring1][Ring1][Ring1][S][C]
-0.853101
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
[C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring2][Ring1][Ring1][Ring1][S][C]
-0.751491
CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
[C][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring2][Ring1][Ring1][Ring1][S][C]
-1.121158
CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C
[C][C][=Branch1][C][=O][C][Branch1][C][O][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring1][S][Ring2][Ring1][Ring2][C]
-0.459725
CC12CCC(=O)C=C1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12
[C][C][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][O][C][Branch1][C][O][C][C][Branch1][Ring1][C][=O][C][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][C][C][Ring1][S][Ring1][O]
-0.475692
CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
[C][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring2][Ring1][Ring1][Ring1][S][C]
-1.211155
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12
[C][C][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][O][C][C][C][Branch1][C][C][C][Branch1][C][O][C][C][C][Ring1][O][Ring1][#Branch1]
-0.557948
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C
[C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][Branch1][C][O][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][Branch1][C][O][C][C][Ring1][P][Ring2][Ring1][Branch1][C]
-0.974065
CC(=O)OC1(C)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C
[C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring1][S][Ring2][Ring1][Ring2][C]
-1.169544
CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12
[C][C][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][O][C][Branch1][C][O][C][C][Branch1][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][C][C][Ring1][#C][Ring1][#Branch2]
-0.180539
C#CC1(O)CCC2C3CCC4=CC(=O)CCC4(O)C3CCC21C
[C][#C][C][Branch1][C][O][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][O][C][Ring1][N][C][C][C][Ring1][S][Ring2][Ring1][Ring2][C]
-0.824069
C#CC1(OC(C)=O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C
[C][#C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][C][Ring1][O][C][C][C][Ring1][#C][Ring2][Ring1][=Branch1][C]
-0.935357
CCNc1nc(Cl)nc(N(CC)CC)n1
[C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][=N][Ring1][N]
-0.577302
CCNc1nc(Cl)nc(NC(C)C)n1
[C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring1][O]
-0.475692
CCN(CC)c1nc(Cl)nc(NC(C)C)n1
[C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][C][Cl][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring1][O]
-0.444241
COc1nc(NC(C)C)nc(NC(C)C)n1
[C][O][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring1][=C]
0.18816
CCN(CC)c1nc(Cl)nc(N(CC)CC)n1
[C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][C][Cl][=N][C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][=N][Ring1][N]
-0.747136
CCNc1nc(NC(C)C)nc(SC)n1
[C][C][N][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch1][Ring1][S][C][=N][Ring1][N]
-0.083767
CCNc1nc(NC(C)(C)C)nc(SC)n1
[C][C][N][C][=N][C][Branch1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch1][Ring1][S][C][=N][Ring1][=N]
-0.548271
CCNc1nc(NC(C)C)nc(OC)n1
[C][C][N][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch1][Ring1][O][C][=N][Ring1][N]
0.3788
CCNc1nc(Cl)nc(NCC)n1
[C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][Ring2][N][C][C][=N][Ring1][#Branch2]
-0.814392
CSc1nc(N(C)C)nc(N(C)C)n1
[C][S][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][N]
0.092357
COCCCNc1nc(NC(C)C)nc(SC)n1
[C][O][C][C][C][N][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch1][Ring1][S][C][=N][Ring1][N]
-0.029575
CCNc1nc(Cl)nc(NC(C)(C)C#N)n1
[C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][O][N][C][Branch1][C][C][Branch1][C][C][C][#N][=N][Ring1][=N]
-0.136992
CN(C)c1nc(N(C)C)nc(N(C)C)n1
[C][N][Branch1][C][C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][N]
-0.240537
CC(C)Nc1nc(Cl)nc(NC(C)C)n1
[C][C][Branch1][C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring1][O]
-0.756329
CSc1nc(NC(C)C)nc(NC(C)C)n1
[C][S][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring1][=C]
-0.596656
CCNc1nc(NC(C)(C)C)nc(OC)n1
[C][C][N][C][=N][C][Branch1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch1][Ring1][O][C][=N][Ring1][=N]
-0.180055
c1ccncc1
[C][=C][C][=N][C][=C][Ring1][=Branch1]
1.754891
Cc1ccncc1C
[C][C][=C][C][=N][C][=C][Ring1][=Branch1][C]
1.561348
Cc1cccc(C)n1
[C][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1]
1.604895
Cc1cccnc1C
[C][C][=C][C][=C][N][=C][Ring1][=Branch1][C]
1.571025
Oc1ccccn1
[O][C][=C][C][=C][C][=N][Ring1][=Branch1]
1.880694
Cc1ccnc(C)c1
[C][C][=C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1]
1.571025
CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][O][C][=N][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl]
-1.356313
NNC(=O)c1ccncc1
[N][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1]
1.391514
COC(=O)c1cccnc1
[C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1]
1.164585
CCc1ccccn1
[C][C][C][=C][C][=C][C][=N][Ring1][=Branch1]
1.633927
Cc1cncc(C)c1
[C][C][=C][N][=C][C][Branch1][C][C][=C][Ring1][#Branch1]
1.571025
NC(=O)c1cccnc1
[N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1]
1.682313
Clc1cccc(C(Cl)(Cl)Cl)n1
[Cl][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=N][Ring1][#Branch2]
-0.432145
Oc1ccncc1
[O][C][=C][C][=N][C][=C][Ring1][=Branch1]
1.880694