Datasets:
SauravMaheshkar
/
tox21_SRp53

Dataset card Viewer Files Community
smiles
stringlengths
2
342
selfies
stringlengths
6
1.27k
target
int64
0
1
CCOc1cc(NC(C)=O)ccc1C(=O)OC
[C][C][O][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][C]
0
CCOC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
[C][C][O][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
1
CCOCCOCC
[C][C][O][C][C][O][C][C]
0
CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O
[C][C][=Branch1][C][=O][C@][Branch1][C][O][C][C][=C][Branch1][C][O][C][=C][Branch2][Ring2][C][C][Branch1][C][O][=C][Ring1][Branch2][C@@H1][Branch2][Ring1][Ring1][O][C@H1][C][C@H1][Branch1][C][N][C@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][=Branch2][C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch2][=O]
1
ClP(Cl)c1ccccc1
[Cl][P][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]
0
CC(C)COC(=O)c1ccc(N)cc1
[C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
0
CC(C)(C)OC(=O)c1cccc(N)c1
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1]
0
O=Cc1ccccc1[N+](=O)[O-]
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1]
1
CCCCCCCCCCCCCC(=O)OC
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C]
0
CC(C)(C)C(=O)OCOC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)C
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch2][Branch1][C][C][C]
0
CC1=CC[C@@H]2C[C@H]1C2(C)C
[C][C][=C][C][C@@H1][C][C@H1][Ring1][=Branch1][C][Ring1][Ring2][Branch1][C][C][C]
0
O=C1CN2CCOC2(c2ccccc2Cl)c2cc(Cl)ccc2N1
[O][=C][C][N][C][C][O][C][Ring1][Branch1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Ring2][Ring1][=Branch1]
0
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21
[C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C][C@H1][Branch1][C][O][C][=C][C][=C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][C][C][C][C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O-1][C@H1][Ring2][Ring1][C][Ring2][Ring1][#Branch1]
0
CCCCCCCCCCCCOCCOS(=O)(=O)[O-]
[C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1]
0
O=C(O)c1ccccc1-n1cc(C(=O)O)c(=O)c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc21
[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][P][N][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl][=C][Branch1][C][Cl][C][=C][Ring1][P][Ring2][Ring1][=Branch2]
0
O=S(=O)(O)O
[O][=S][=Branch1][C][=O][Branch1][C][O][O]
0
O=C(O)c1cc2ccccc2cc1O
[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O]
0
CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3]
[C][N][Branch1][C][C][C][=Branch1][C][=S][S-1].[C][N][Branch1][C][C][C][=Branch1][C][=S][S-1].[C][N][Branch1][C][C][C][=Branch1][C][=S][S-1].[Fe+3]
0
O=C1c2ccccc2CN2C(=O)c3ccccc3CN12
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring2][Ring1][Ring1][Ring1][O]
0
CCOP(=O)(SC(C)CC)N1CCSC1=O
[C][C][O][P][=Branch1][C][=O][Branch1][Branch2][S][C][Branch1][C][C][C][C][N][C][C][S][C][Ring1][Branch1][=O]
0
CCCCCCCCCCCO
[C][C][C][C][C][C][C][C][C][C][C][O]
0
CC(=O)OCCOC(C)=O
[C][C][=Branch1][C][=O][O][C][C][O][C][Branch1][C][C][=O]
0
COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1
[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
0
[Cu]I
[Cu][I]
0
CCCCNCCCC
[C][C][C][C][N][C][C][C][C]
0
Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1
[C][C][NH1][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][C][=Ring1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1]
0
CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I
[C][C][=Branch1][C][=O][N][C][=C][Branch1][C][I][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Branch1][C][I][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#C][I]
0
CCCCCOc1ccccc1/C(=C\SC)n1ccnc1
[C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=Branch1][Ring2][=C][\S][C][N][C][=C][N][=C][Ring1][Branch1]
0
O=C([O-])CC(S[Au])C(=O)[O-]
[O][=C][Branch1][C][O-1][C][C][Branch1][Ring1][S][Au][C][=Branch1][C][=O][O-1]
0
CCOC(=O)c1ccc(I)cc1
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]
0
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
[C][C][=Branch1][C][=O][C@@][Branch1][C][O][C][C][C@H1][C@@H1][C][=C][Branch1][C][Cl][C][=C][C][=Branch1][C][=O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][=N][C][C][C@@][Ring1][P][Ring2][Ring1][Branch1][C]
0
Nc1cc(N)cc(C(=O)O)c1
[N][C][=C][C][Branch1][C][N][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2]
0
Nc1cccc(S(=O)(=O)c2cccc(N)c2)c1
[N][C][=C][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][=C][Ring1][S]
0
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.O=C(O)CC(O)(CC(=O)O)C(=O)O
[C][C][C][C][=N][N][Branch1][C][C][C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][P][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][S][O][C][C][=N][C][Ring2][Ring1][=C][=Ring2][Ring1][#Branch2].[O][=C][Branch1][C][O][C][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
0
C[C@@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
[C][C@@H1][Branch1][#C][C][S][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][N][C][=Branch1][C][=O][O]
0
CCCCCCOCCOCCO
[C][C][C][C][C][C][O][C][C][O][C][C][O]
0
CCCc1ccc(OC)cc1
[C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
0
Nc1ccc(N)c2ccccc12
[N][C][=C][C][=C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1]
0
CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1
[C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1]
0
Cc1ccc(C(=O)Oc2ccc(C(O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1
[C][C][=C][C][=C][Branch2][Ring2][=C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][P]
0
Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1
[C][C][=C][N][=C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C][=N][Ring2][Ring1][=C]
0
COC(=O)c1cccnc1
[C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1]
0
Clc1cc(Cl)c2c(c1)N=C1CCCCCN1C2
[Cl][C][=C][C][Branch1][C][Cl][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][N][=C][C][C][C][C][C][N][Ring1][#Branch1][C][Ring1][N]
0
O=C(NCO)NCO
[O][=C][Branch1][Ring2][N][C][O][N][C][O]
0
CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1
[C][C][N][Branch1][Ring1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][=N][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1]
0
CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2
[C][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][N][C][C][C][C][C][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Ring2]
0
CCCC[Sn](CCCC)(CCCC)OC(=O)c1ccccc1
[C][C][C][C][Sn][Branch1][Branch1][C][C][C][C][Branch1][Branch1][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
0
COc1ccc(OC)c(C(O)CNC(=O)CN)c1
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=N][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][N][=C][Ring1][S]
0
CCCCCCCC/C=C/CCCOC(C)=O
[C][C][C][C][C][C][C][C][/C][=C][/C][C][C][O][C][Branch1][C][C][=O]
0
C[NH+](C)CCC(c1ccc(Cl)cc1)c1ccccn1
[C][NH1+1][Branch1][C][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1]
0
CCC(CC)Nc1ccc(C)c(C)c1
[C][C][C][Branch1][Ring1][C][C][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2]
0
Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1
[C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][P][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][P]
0
Cc1ccc(C(=O)O)cc1
[C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]
0
C=CCC1([C@H](C)CCC)C(=O)NC(=O)NC1=O
[C][=C][C][C][Branch1][Branch2][C@H1][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][=N][=O]
0
C=C(C)C(=O)OCC1CO1
[C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][O][Ring1][Ring1]
0
OCCCCCCO
[O][C][C][C][C][C][C][O]
0
CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)Oc3ccccc3NC2=O)cc1
[C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring2][Ring1][Ring2][=O][C][=C][Ring2][Ring1][O]
1
CC(=O)c1ccccc1
[C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
0
CCOP(=S)(OCC)SCSCC
[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][S][C][S][C][C]
0
CCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCC
[C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C]
0
CC(CCO)CC(C)(C)C
[C][C][Branch1][Ring2][C][C][O][C][C][Branch1][C][C][Branch1][C][C][C]
0
CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
[C][C][C][C][C][=Branch1][C][=O][O][C@][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C@@H1][Branch1][C][C][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][F][C@@H1][Branch1][C][O][C][C@@][Ring2][Ring1][C][Ring2][Ring1][#Branch2][C]
0
CNC(=O)ON=CC(C)(C)SC
[C][N][C][=Branch1][C][=O][O][N][=C][C][Branch1][C][C][Branch1][C][C][S][C]
0
CC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2)cc1
[C][C][Branch1][C][C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2]
0
C#CC(C)N(C)C(=O)Nc1ccc(Cl)cc1
[C][#C][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
0
O=C([O-])c1cc(O)c2c3nc4ccccc4oc-3cc(=O)c2n1
[O][=C][Branch1][C][O-1][C][=C][C][Branch1][C][O][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=C][C][=Branch1][C][=O][C][Ring1][#C][=N][Ring2][Ring1][Ring2]
0
CC(C)C[P+](C)(CC(C)C)CC(C)C
[C][C][Branch1][C][C][C][P+1][Branch1][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][C][C]
0
OCCSSCCO
[O][C][C][S][S][C][C][O]
0
CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1
[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2]
0
Nc1ccc2ccccc2c1
[N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
0
COc1ccc(C=O)cc1
[C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2]
0
CO[C@H]1C[C@H](O[C@@H]2C(C)=CC[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)/C(=N/O)[C@H]4OCC(=CC=C[C@@H]2C)[C@]43O)O[C@@H](C)[C@@H]1O
[C][O][C@H1][C][C@H1][Branch2][=Branch1][S][O][C@@H1][C][Branch1][C][C][=C][C][C@@H1][C][C@@H1][Branch2][Ring1][=C][C][C@][Branch2][Ring1][Branch1][C][C][C@H1][Branch1][C][C][C@@H1][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][O][Ring1][=N][O][Ring2][Ring1][C][O][C][=Branch1][C][=O][C@@H1][C][=C][Branch1][C][C][/C][=Branch1][Ring1][=N][/O][C@H1][O][C][C][=Branch1][=Branch2][=C][C][=C][C@@H1][Ring2][Ring2][=Branch2][C][C@][Ring1][#Branch2][Ring1][P][O][O][C@@H1][Branch1][C][C][C@@H1][Ring2][Branch1][Ring2][O]
0
Nc1nc(N)nc(NC2CC2)n1
[N][C][=N][C][Branch1][C][N][=N][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=N][Ring1][O]
0
C=C(C)C(=O)OCCCCCCCCCC
[C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][C][C]
0
NC12CC3CC(CC(C3)C1)C2
[N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]
0
O=C([O-])CC(O)(CC(=O)O)C(=O)[O-]
[O][=C][Branch1][C][O-1][C][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O-1]
0
CCCCCCCCCCCCCCOS(=O)(=O)[O-]
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1]
0
CCOC(=O)COc1ccc(C)cc1
[C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
0
CCN(CC)CC(=O)Nc1c(C)cccc1C
[C][C][N][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C]
0
COC(=O)c1ccc(C)cc1
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
0
N#CCCNCCC#N
[N][#C][C][C][N][C][C][C][#N]
0
CCN(CC)CCc1nc(-c2ccccc2)no1.O=C(O)CC(O)(CC(=O)O)C(=O)O
[C][C][N][Branch1][Ring1][C][C][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O].[O][=C][Branch1][C][O][C][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
0
O=[N+]([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl
[O][=N+1][Branch1][C][O-1][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl]
0
CS(C)=O
[C][S][Branch1][C][C][=O]
0
CCC(=O)N(c1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1
[C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C]
0
CCCCC(CC)C(=O)Cl
[C][C][C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][Cl]
0
CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1
[C][C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][C][Branch1][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P]
0
N#Cc1ccccc1
[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1]
0
O=C(O)CCCC(=O)O
[O][=C][Branch1][C][O][C][C][C][C][=Branch1][C][=O][O]
0
c1ccc2cnccc2c1
[C][=C][C][=C][C][=N][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
0
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]
0
NC(=O)Nc1ccc([As](=O)(O)O)cc1
[N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][As][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][#Branch2]
0
CO[C@@H]1[C@H](OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C
[C][O][C@@H1][C@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][/C][=C][/C][=C][/C][=Branch1][C][=O][O][C][C][C@][Branch1][Branch1][C][O][Ring1][Ring1][C@H1][Ring2][Ring1][=Branch1][C@@][Branch1][C][C][O][C@@H1][Ring1][Ring2][C][C][=C][Branch1][C][C][C]
0
N=C(N)NS(=O)(=O)c1ccc(N)cc1
[N][=C][Branch1][C][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
0
CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
0
OCC1CCCO1
[O][C][C][C][C][C][O][Ring1][Branch1]
0
Cc1nc2ccc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1
[C][C][=N][C][=C][C][=C][Branch2][Ring2][Ring2][C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][S][Ring1][P][C][=C][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][NH1][Ring2][Ring1][#C]
1
CCCCC(C#N)(Cn1cncn1)c1ccc(Cl)cc1
[C][C][C][C][C][Branch1][Ring1][C][#N][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
0
C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
[C][=C][C][N][C][C][C][C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][Branch1][Ring1][O][C][=C][Ring1][N][O][C]
0
c1ccc2c(c1)-c1cccc3c1c-2cc1ccccc13
[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]
1