smiles
stringlengths 2
322
| selfies
stringlengths 6
952
| target
class label 2
classes |
|---|---|---|
CNC(=O)Oc1cccc2c1OC(C)(C)O2
|
[C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][O][Ring1][#Branch1]
| 00
|
CC(=O)CCc1ccc2c(c1)OCO2
|
[C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
| 00
|
Oc1ccc2c(c1)OCO2
|
[O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
| 00
|
COc1cc(CC(C)N)cc2c1OCO2
|
[C][O][C][=C][C][Branch1][#Branch1][C][C][Branch1][C][C][N][=C][C][=C][Ring1][#Branch2][O][C][O][Ring1][Branch1]
| 00
|
CC(Cc1ccc2c(c1)OCO2)NO
|
[C][C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][O]
| 00
|
CCNC(C)Cc1ccc2c(c1)OCO2
|
[C][C][N][C][Branch1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
| 00
|
CNC(C)Cc1ccc2c(c1)OCO2
|
[C][N][C][Branch1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
| 00
|
CC(C=O)Cc1ccc2c(c1)OCO2
|
[C][C][Branch1][Ring1][C][=O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
| 00
|
CCCCCCCCS(=O)C(C)Cc1ccc2c(c1)OCO2
|
[C][C][C][C][C][C][C][C][S][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
| 00
|
CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2
|
[C][C][C][C][O][C][C][O][C][C][O][C][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][C][C][C][O][C][O][Ring1][#Branch2]
| 00
|
CC(=O)C=Cc1ccc2c(c1)OCO2
|
[C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
| 00
|
O=Cc1ccc2c(c1)OCO2
|
[O][=C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
| 00
|
CC(=O)OCc1ccc2c(c1)OCO2
|
[C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
| 00
|
CCC(C)OC(=O)N1CCCCC1CCO
|
[C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][O]
| 00
|
OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
|
[O][C][C][N][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][C][O]
| 00
|
OCCC1CCCCN1
|
[O][C][C][C][C][C][C][C][N][Ring1][=Branch1]
| 00
|
CCCC1CCCCN1
|
[C][C][C][C][C][C][C][C][N][Ring1][=Branch1]
| 00
|
CC1(C)CC(O)CC(C)(C)N1
|
[C][C][Branch1][C][C][C][C][Branch1][C][O][C][C][Branch1][C][C][Branch1][C][C][N][Ring1][#Branch2]
| 00
|
CCCCNC1CC(C)(C)NC(C)(C)C1
|
[C][C][C][C][N][C][C][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2]
| 00
|
CN1C(C)(C)CC(O)CC1(C)C
|
[C][N][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][O][C][C][Ring1][=Branch2][Branch1][C][C][C]
| 00
|
CC1(C)CC(O)CC(C)(C)N1[O]
|
[C][C][Branch1][C][C][C][C][Branch1][C][O][C][C][Branch1][C][C][Branch1][C][C][N][Ring1][#Branch2][OH0]
| 00
|
O=NN1CCCCC1
|
[O][=N][N][C][C][C][C][C][Ring1][=Branch1]
| 00
|
CC1CCCNC1
|
[C][C][C][C][C][N][C][Ring1][=Branch1]
| 00
|
C1CCNCC1
|
[C][C][C][N][C][C][Ring1][=Branch1]
| 00
|
C[C@@H]1CCC[C@H](C)N1
|
[C][C@@H1][C][C][C][C@H1][Branch1][C][C][N][Ring1][#Branch1]
| 00
|
O=CN1CCCCC1
|
[O][=C][N][C][C][C][C][C][Ring1][=Branch1]
| 00
|
CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
|
[C][C][C][C][N][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][C][O]
| 00
|
CC1(C)CC(N)CC(C)(C)N1
|
[C][C][Branch1][C][C][C][C][Branch1][C][N][C][C][Branch1][C][C][Branch1][C][C][N][Ring1][#Branch2]
| 00
|
CN1C(C)(C)CCCC1(C)C
|
[C][N][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][Branch2][Branch1][C][C][C]
| 00
|
Cn1cnc2c1c(=O)[nH]c(=O)n2C
|
[C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C]
| 00
|
Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O
|
[C][N][C][=Branch1][C][=O][C][=C][Branch1][=N][N][=C][N][Ring1][Branch1][C][C][Branch1][C][O][C][O][N][Branch1][C][C][C][Ring1][S][=O]
| 00
|
CC(O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O
|
[C][C][Branch1][C][O][C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][=C][N][Ring1][Branch1][C][N][Branch1][C][C][C][Ring1][N][=O]
| 00
|
Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O
|
[C][N][C][=Branch1][C][=O][C][NH1][C][Branch1][C][Br][=N][C][=Ring1][=Branch1][N][Branch1][C][C][C][Ring1][N][=O]
| 00
|
Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O
|
[C][N][C][=Branch1][C][=O][C][=C][Branch1][N][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][O][N][Branch1][C][C][C][Ring1][#C][=O]
| 00
|
Cn1c(=O)c2[nH]cnc2n(C)c1=O
|
[C][N][C][=Branch1][C][=O][C][NH1][C][=N][C][=Ring1][Branch1][N][Branch1][C][C][C][Ring1][O][=O]
| 00
|
CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O
|
[C][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][=C][N][Ring1][Branch1][C][N][Branch1][C][C][C][Ring1][N][=O]
| 00
|
Cn1c(=O)c2c(ncn2CCO)n(C)c1=O
|
[C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][N][=C][N][Ring1][Branch1][C][C][O][N][Branch1][C][C][C][Ring1][=C][=O]
| 00
|
CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
[C][C][Branch1][C][O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C]
| 00
|
Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=C(O)CC(O)(CC(=O)O)C(=O)O
|
[C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][=C][N][Ring1][Branch1][C][N][Branch1][C][C][C][Ring1][N][=O].[O][=C][Branch1][C][O][C][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
| 00
|
CC(C)Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
[C][C][Branch1][C][C][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C]
| 00
|
CCCCCCn1c(=O)c2c(ncn2C)n(C)c1=O
|
[C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][=C][N][Ring1][Branch1][C][N][Branch1][C][C][C][Ring1][N][=O]
| 00
|
Cn1c(=O)c2c(ncn2C)n(C)c1=O
|
[C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][=C][N][Ring1][Branch1][C][N][Branch1][C][C][C][Ring1][N][=O]
| 00
|
CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C
|
[C][C][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][C][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][Ring1][#C][C]
| 00
|
CCCn1c(=O)[nH]c(=O)c2[nH]cnc21
|
[C][C][C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][NH1][C][=N][C][=Ring1][Branch1][Ring1][O]
| 00
|
O=CN1CCOCC1
|
[O][=C][N][C][C][O][C][C][Ring1][=Branch1]
| 00
|
CC1(C)CO[C@@H](CC(=O)O)CN1
|
[C][C][Branch1][C][C][C][O][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][N][Ring1][O]
| 00
|
O=NN1CCOCC1
|
[O][=N][N][C][C][O][C][C][Ring1][=Branch1]
| 00
|
N=C(N)NC(=N)N1CCOCC1
|
[N][=C][Branch1][C][N][N][C][=Branch1][C][=N][N][C][C][O][C][C][Ring1][=Branch1]
| 00
|
O=S(=O)(O)CCCN1CCOCC1
|
[O][=S][=Branch1][C][=O][Branch1][C][O][C][C][C][N][C][C][O][C][C][Ring1][=Branch1]
| 00
|
CCCCCCCCCCCCN1CCOCC1
|
[C][C][C][C][C][C][C][C][C][C][C][C][N][C][C][O][C][C][Ring1][=Branch1]
| 00
|
CN1CCOCC1
|
[C][N][C][C][O][C][C][Ring1][=Branch1]
| 00
|
CCCCCCCCCCCCCN1CC(C)OC(C)C1
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2]
| 00
|
C=CC(=O)N1CCOCC1
|
[C][=C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1]
| 00
|
OCCN1CCOCC1
|
[O][C][C][N][C][C][O][C][C][Ring1][=Branch1]
| 00
|
NCCN1CCOCC1
|
[N][C][C][N][C][C][O][C][C][Ring1][=Branch1]
| 00
|
NCCCN1CCOCC1
|
[N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1]
| 00
|
CCN1CCOCC1
|
[C][C][N][C][C][O][C][C][Ring1][=Branch1]
| 00
|
C1COCCN1
|
[C][C][O][C][C][N][Ring1][=Branch1]
| 00
|
CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21
|
[C][N][Branch1][C][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#C]
| 11
|
Clc1ccc2c(c1)Nc1ccccc1S2
|
[Cl][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O]
| 00
|
CN(C)CCCN1c2ccccc2Sc2ccccc21
|
[C][N][Branch1][C][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C]
| 00
|
CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21
|
[C][N][Branch1][C][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring2][Ring1][C]
| 11
|
CCN(CC)CCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21
|
[C][C][N][Branch1][Ring1][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#C]
| 00
|
COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][N][C][C@H1][Branch1][C][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][C]
| 00
|
CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2
|
[C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][P]
| 00
|
CC(CN1c2ccccc2Sc2ccccc21)N(C)C
|
[C][C][Branch2][Ring1][=Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][N][Branch1][C][C][C]
| 00
|
CC(CN1c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21)N(C)C
|
[C][C][Branch2][Ring2][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][Ring2][Ring1][Ring2][N][Branch1][C][C][C]
| 00
|
CCc1ccc2c(c1)N(CC(C)CN(C)C)c1ccccc1S2
|
[C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][N][C][C][Branch1][C][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][C]
| 00
|
CCN(CC)CCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21
|
[C][C][N][Branch1][Ring1][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring2][Ring1][C]
| 00
|
CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21
|
[C][C][N][Branch1][Ring1][C][C][C][Branch1][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C]
| 00
|
c1ccc2c(c1)Nc1ccccc1S2
|
[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O]
| 00
|
CCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2
|
[C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][P]
| 00
|
Nc1ccc(/N=N/c2ccccc2)cc1
|
[N][C][=C][C][=C][Branch1][O][/N][=N][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C]
| 00
|
Cc1cccc(/N=N/c2ccc(N(C)C)cc2)c1
|
[C][C][=C][C][=C][C][Branch2][Ring1][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=C][Ring1][P]
| 00
|
CCOc1ccc(N=Nc2ccc(N)cc2N)cc1
|
[C][C][O][C][=C][C][=C][Branch1][#C][N][=N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][N][C][=C][Ring1][S]
| 00
|
Nc1ccc(/N=N\c2ccccc2)c(N)c1
|
[N][C][=C][C][=C][Branch1][O][/N][=N][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=C][Ring1][#C]
| 00
|
O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1
|
[O][=C][Branch1][C][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][/N][=N][/C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C]
| 00
|
CN(C)c1ccc(/N=N/c2ccccc2C(=O)O)cc1
|
[C][N][Branch1][C][C][C][=C][C][=C][Branch1][S][/N][=N][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][P]
| 00
|
CCN(CCC#N)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1
|
[C][C][N][Branch1][Branch1][C][C][C][#N][C][=C][C][=C][Branch2][Ring1][=Branch1][N][=N][C][=C][Branch1][C][Cl][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][Cl][C][=C][Ring2][Ring1][Ring1]
| 00
|
c1ccc(N=Nc2ccccc2)cc1
|
[C][=C][C][=C][Branch1][O][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C]
| 00
|
Cc1cc(N=Nc2ccccc2C)ccc1N
|
[C][C][=C][C][Branch1][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][#C][N]
| 00
|
O=C(O)c1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1O
|
[O][=C][Branch1][C][O][C][=C][C][Branch2][Ring1][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][C][=C][Ring1][P][O]
| 00
|
CC(=O)OCCN(CCOC(C)=O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2C#N)cc1
|
[C][C][=Branch1][C][=O][O][C][C][N][Branch1][=Branch2][C][C][O][C][Branch1][C][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][/N][=N][/C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][#N][C][=C][Ring2][Ring1][Ring1]
| 00
|
Oc1ccc(/N=N/c2ccccc2)cc1
|
[O][C][=C][C][=C][Branch1][O][/N][=N][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C]
| 00
|
Nc1ccc(/N=N/c2ccc(N)cc2)cc1
|
[N][C][=C][C][=C][Branch1][=C][/N][=N][/C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][Ring1][#C]
| 00
|
CN(C)c1ccc(N=Nc2ccccc2)cc1
|
[C][N][Branch1][C][C][C][=C][C][=C][Branch1][O][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C]
| 00
|
COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1
|
[C][O][C][C][C][=C][C][=C][Branch1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][C][=C][Ring1][#C].[C][O][C][C][C][=C][C][=C][Branch1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][C][=C][Ring1][#C]
| 00
|
O=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.[Zn+2]
|
[O][=C][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][O].[O][=C][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][O].[Zn+2]
| 00
|
CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1
|
[C][C][C][C][C][C][C][N][Branch1][Ring1][C][C][C][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O].[C][C][C][C][C][C][C][N][Branch1][Ring1][C][C][C][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O]
| 00
|
COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)CCC(=O)O
|
[C][O][C][C][C][=C][C][=C][Branch1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][C][=C][Ring1][#C].[C][O][C][C][C][=C][C][=C][Branch1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][C][=C][Ring1][#C].[O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][O]
| 00
|
C/N=C(\NC)NCc1ccccc1.C/N=C(\NC)NCc1ccccc1
|
[C][/N][=C][Branch1][Ring1][\N][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[C][/N][=C][Branch1][Ring1][\N][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
CNC(C)(C)Cc1ccccc1.CNC(C)(C)Cc1ccccc1
|
[C][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[C][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
CNc1ccc(O)cc1.CNc1ccc(O)cc1
|
[C][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1].[C][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
| 00
|
[2H]C([2H])([2H])[C@H](N)Cc1ccccc1.[2H]C([2H])([2H])[C@H](N)Cc1ccccc1
|
[2H][C][Branch1][C][2H][Branch1][C][2H][C@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[2H][C][Branch1][C][2H][Branch1][C][2H][C@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O.C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O
|
[C][C@][Branch1][C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][O].[C][C@][Branch1][C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][O]
| 00
|
CC(C)(C)NCC(O)c1cc(O)cc(O)c1.CC(C)(C)NCC(O)c1cc(O)cc(O)c1
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2].[C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2]
| 00
|
CC(C)NCC(O)c1cc(O)cc(O)c1.CC(C)NCC(O)c1cc(O)cc(O)c1
|
[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2].[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2]
| 00
|
CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1
|
[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][O][C][O][C][C][O][C][Branch1][C][C][C][C][=C][Ring1][=C].[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][O][C][O][C][C][O][C][Branch1][C][C][C][C][=C][Ring1][=C]
| 00
|
N=C(N)NCc1cccc(I)c1.N=C(N)NCc1cccc(I)c1
|
[N][=C][Branch1][C][N][N][C][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1].[N][=C][Branch1][C][N][N][C][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1]
| 00
|
O=C1CCCN1
|
[O][=C][C][C][C][N][Ring1][Branch1]
| 00
|
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