Datasets:
SauravMaheshkar
/
tox21_SRp53

Dataset card Viewer Files Community
smiles
stringlengths
2
342
selfies
stringlengths
6
1.27k
target
int64
0
1
BrCCCCCCBr
[Br][C][C][C][C][C][C][Br]
0
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]
0
C=CCCCCCCCCCCCC
[C][=C][C][C][C][C][C][C][C][C][C][C][C][C]
0
CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
[C][C][C][C][C][C][C][C][C][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O]
0
CCN1CN(CC)CN(CC)C1
[C][C][N][C][N][Branch1][Ring1][C][C][C][N][Branch1][Ring1][C][C][C][Ring1][#Branch2]
0
Cc1ccc2c(c1)C(=O)OC2=O
[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=O]
0
Cc1c[nH]cn1
[C][C][=C][NH1][C][=N][Ring1][Branch1]
0
NC(=O)NC(N)=O
[N][C][=Branch1][C][=O][N][C][Branch1][C][N][=O]
0
Oc1cc2ccccc2c2ccccc12
[O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1]
0
CC(C)(C)NCC(O)c1ccccc1Cl
[C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
0
CC(=O)CCC(=O)O
[C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O]
0
COC(=O)CCCCCCCC(=O)OC
[C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C]
0
O=C1CCCN1CCO
[O][=C][C][C][C][N][Ring1][Branch1][C][C][O]
0
CCCCCCCCCCCCO
[C][C][C][C][C][C][C][C][C][C][C][C][O]
0
CC(=O)Nc1ccc(C)cc1C
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C]
0
Oc1cc(Cl)ccc1Cl
[O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl]
0
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]
0
O=C(O)CCCCCC(=O)O
[O][=C][Branch1][C][O][C][C][C][C][C][C][=Branch1][C][=O][O]
0
COC(=O)Cl
[C][O][C][=Branch1][C][=O][Cl]
0
COc1cccc(C=O)c1
[C][O][C][=C][C][=C][C][Branch1][Ring1][C][=O][=C][Ring1][Branch2]
0
O=S(=O)([O-])c1cccc2ccccc12
[O][=S][=Branch1][C][=O][Branch1][C][O-1][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
0
N#CSCC(=O)[O-]
[N][#C][S][C][C][=Branch1][C][=O][O-1]
0
CCCCOCCOCCOCCCC
[C][C][C][C][O][C][C][O][C][C][O][C][C][C][C]
0
c1cnc2cc3c(cc2n1)C1CNCC3C1
[C][=C][N][=C][C][=C][C][=Branch1][Branch2][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][C][N][C][C][Ring1][#Branch2][C][Ring1][=Branch1]
0
NS(=O)(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][O]
0
COC(=O)CC(=O)OC
[C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O][C]
0
C=CC(N)CCC(=O)O
[C][=C][C][Branch1][C][N][C][C][C][=Branch1][C][=O][O]
0
CCN(CC)N=O
[C][C][N][Branch1][Ring1][C][C][N][=O]
0
COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1
[C][O][C][C][C][C][/C][=Branch1][=Branch1][=N][\O][C][C][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
0
CC(C)COC(=O)c1ccc(O)cc1
[C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
0
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
[C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@][Branch1][C][O][C][C][C@H1][C@@H1][C][C@H1][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][=N][C@@H1][Branch1][C][O][C][C@@][Ring2][Ring1][C][Ring2][Ring1][=Branch1][C]
0
CCCCCCCCCCCCCO
[C][C][C][C][C][C][C][C][C][C][C][C][C][O]
0
COC(=O)C(C)(C)C
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C]
0
COc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
[C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C]
0
NS(=O)(=O)[O-]
[N][S][=Branch1][C][=O][=Branch1][C][=O][O-1]
0
CCCCOC(=O)C(C)CC
[C][C][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C]
0
CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
[C][C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=O][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=O]
0
CCCN(CCC)C(=O)SCC
[C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][S][C][C]
0
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12
[C][C@@H1][Branch1][C][O][C@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][#Branch1][S][C][C][N][C][=N][C][C@H1][Ring1][P][Ring1][=C]
0
Oc1ccc(-c2ccccc2)c(Cl)c1
[O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][=N]
0
CN(C)N=O
[C][N][Branch1][C][C][N][=O]
0
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
[C][C][=Branch1][C][=O][O][C][C@H1][O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring1][=N][O][C][Branch1][C][C][=O]
0
CCOC(=O)/C=C(C)/C=C/C[C@@H](C)CCCC(C)C
[C][C][O][C][=Branch1][C][=O][/C][=C][Branch1][C][C][/C][=C][/C][C@@H1][Branch1][C][C][C][C][C][C][Branch1][C][C][C]
0
CC1(C)OC(=O)NC1=O
[C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O]
0
O=C1C(CCS(=O)c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1
[O][=C][C][Branch1][#C][C][C][S][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
0
O=C(O)CC(=O)C(=O)O
[O][=C][Branch1][C][O][C][C][=Branch1][C][=O][C][=Branch1][C][=O][O]
0
Brc1cc(-c2ccc(Br)c(Br)c2Br)cc(Br)c1Br
[Br][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][Br][=C][Ring1][Branch2][Br][=C][C][Branch1][C][Br][=C][Ring1][S][Br]
0
C=CCCCCCCCCOC(C)=O
[C][=C][C][C][C][C][C][C][C][C][O][C][Branch1][C][C][=O]
0
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OCOC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C
[C][C][Branch1][C][C][S][C@@H1][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S][C@H1][Ring2][Ring1][Ring2][C][=Branch1][C][=O][O][C][O][C][=Branch1][C][=O][C@@H1][N][C][=Branch1][C][=O][C][C@H1][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch2][Branch1][C][C][C]
0
CCCCCCCCCC(=O)O
[C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O]
0
CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1
[C][C][C][C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
0
CC(C)(C)OOC(C)(C)C
[C][C][Branch1][C][C][Branch1][C][C][O][O][C][Branch1][C][C][Branch1][C][C][C]
0
CN(C)CCC=C1c2ccccc2C=Cc2ccccc21
[C][N][Branch1][C][C][C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C]
0
COC(=O)C(C)=O
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][=O]
0
CN(C)Cc1ccccc1O
[C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O]
0
F[B-](F)(F)F
[F][B-1][Branch1][C][F][Branch1][C][F][F]
0
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NCCCC2
[O][=C][Branch2][Ring1][=Branch1][C][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch2]
0
CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](c3ccccc3)S(=O)(=O)[O-])C(=O)N2[C@H]1C(=O)[O-]
[C][C][Branch1][C][C][S][C@@H1][C@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1][C@H1][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O-1]
0
CC(O)CN1CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC1.[Gd+3]
[C][C][Branch1][C][O][C][N][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][Ring2][Ring1][Branch2].[Gd+3]
0
ClCCCCCCCl
[Cl][C][C][C][C][C][C][Cl]
0
C/C(=C(\CCOC(=O)C(C)C)SS/C(CCOC(=O)C(C)C)=C(/C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N
[C][/C][=Branch2][Branch1][#Branch1][=C][Branch1][=N][\C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][S][S][/C][Branch1][=N][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Branch1][C][/C][N][Branch1][Ring1][C][=O][C][C][=C][N][=C][Branch1][C][C][N][=C][Ring1][#Branch1][N][N][Branch1][Ring1][C][=O][C][C][=C][N][=C][Branch1][C][C][N][=C][Ring1][#Branch1][N]
0
CC1(c2ccccc2)OC(C(=O)O)=CC1=O
[C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Ring1][=C][=O]
0
CC[N+](C)(C)c1cccc(O)c1
[C][C][N+1][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]
0
[Be+2]
[Be+2]
0
CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
[C][C][C][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][Ring1][P][N][Ring2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#C]
0
CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])cc1
[C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring2][S][C][=Branch2][Ring1][C][=C][C][=C][C][=Branch1][Branch2][=N+1][Branch1][Ring1][C][C][C][C][C][=C][Ring1][O][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][S]
0
CC1COC(Cn2cncn2)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1
[C][C][C][O][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][Cl][O][Ring2][Ring1][#Branch2]
0
Cc1cccc(C)c1NC(=O)CC12CCCN1CCC2
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][N][Ring1][Branch1][C][C][C][Ring1][Branch2]
0
O=[PH](O)c1ccccc1
[O][=PH1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
0
CN(C)CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21
[C][N][Branch1][C][C][C][C][/C][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#C]
0
CCC(=O)Nc1cccc(N)c1
[C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1]
0
CCOP(=O)(OCC)OC(=CCl)c1ccc(Cl)cc1Cl
[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][=Branch1][Ring1][=C][Cl][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
0
CC1(N)CCC(C(C)(C)N)CC1
[C][C][Branch1][C][N][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][N][C][C][Ring1][O]
0
C=C(C)C(=O)OCCOCC
[C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][O][C][C]
0
CC1(C)[C@H](/C=C2\CCSC2=O)[C@@H]1C(=O)OCc1coc(Cc2ccccc2)c1
[C][C][Branch1][C][C][C@H1][Branch1][#Branch2][/C][=C][\C][C][S][C][Ring1][Branch1][=O][C@@H1][Ring1][O][C][=Branch1][C][=O][O][C][C][=C][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N]
0
CC1=CCC(O)(C(C)C)CC1
[C][C][=C][C][C][Branch1][C][O][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][#Branch2]
0
CC[C@@H](C(=O)O)[C@@H]1O[C@@H]([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@]3(C=C[C@@H](O)[C@]4(CC[C@@](C)([C@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)[C@@H](C)C[C@@H]1C
[C][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][O][C@@H1][Branch2][#Branch1][C][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][C][C@H1][O][C@][Branch2][Ring2][=N][C][=C][C@@H1][Branch1][C][O][C@][Branch2][Ring1][#C][C][C][C@@][Branch1][C][C][Branch2][Ring1][Ring1][C@H1][C][C][C@][Branch1][C][O][Branch1][Ring1][C][C][C@H1][Branch1][C][C][O][Ring1][#Branch2][O][Ring1][S][O][Ring2][Ring1][=Branch1][C@H1][Branch1][C][C][C][C@@H1][Ring2][Ring1][N][C][C@@H1][Branch1][C][C][C][C@@H1][Ring2][Ring2][#C][C]
1
CC(C)(C)NCCO
[C][C][Branch1][C][C][Branch1][C][C][N][C][C][O]
0
Cc1nnc2n1-c1sc(CCc3ccc(CC(C)C)cc3)cc1C(c1ccccc1Cl)=NC2C
[C][C][=N][N][=C][N][Ring1][Branch1][C][S][C][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][C][=Ring1][P][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][Ring2][Ring1][=N][C]
0
OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO
[O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][O]
0
C1COC1
[C][C][O][C][Ring1][Ring2]
0
CCCCN(CCCC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1
[C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][=C][Ring2][Ring1][C]
0
CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C
[C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][Branch2][C][=N][N][Ring1][Branch1][C][C][=C][Ring1][O][N][N][=C][Branch1][C][C][C]
0
CCC(=O)c1ccc(O)cc1
[C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
0
COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
[C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]
0
CO[Si](CCCNCCN)(OC)OC
[C][O][Si][Branch1][Branch2][C][C][C][N][C][C][N][Branch1][Ring1][O][C][O][C]
0
C=C[Si](OC(=C)C)(OC(=C)C)OC(=C)C
[C][=C][Si][Branch1][#Branch1][O][C][=Branch1][C][=C][C][Branch1][#Branch1][O][C][=Branch1][C][=C][C][O][C][=Branch1][C][=C][C]
0
CNC1(c2ccccc2Cl)CCCCC1=O
[C][N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][C][C][C][Ring1][=N][=O]
0
Nc1ccc(N)c(Cl)c1
[N][C][=C][C][=C][Branch1][C][N][C][Branch1][C][Cl][=C][Ring1][Branch2]
0
C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1
[C][=C][Branch1][C][C][C@H1][C][C][=C][Branch2][Ring2][Ring1][C][=C][C][=C][Ring1][=Branch1][O][C@@H1][C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C@@H1][Ring1][=C][C][Ring2][Ring1][C][=O][O][Ring2][Ring1][#Branch2]
1
[Ba+2]
[Ba+2]
0
SCCSCCS
[S][C][C][S][C][C][S]
0
O=[Bi]Cl
[O][=Bi][Cl]
0
CCCCCCC(CO)CCCC
[C][C][C][C][C][C][C][Branch1][Ring1][C][O][C][C][C][C]
0
N[C@@H](Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O
[N][C@@H1][Branch2][Ring2][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=C][C][Branch1][C][I][=C][Branch1][C][O][C][Branch1][C][I][=C][Ring1][=Branch2][C][Branch1][C][I][=C][Ring1][P][C][=Branch1][C][=O][O]
0
CC(C)=C1CC[C@@H](C)CC1=O
[C][C][Branch1][C][C][=C][C][C][C@@H1][Branch1][C][C][C][C][Ring1][#Branch1][=O]
0
CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
[C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][O]
0
CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1
[C][N][C][C][C][C][Branch2][Ring1][#C][N][N][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O][C][C][Ring2][Ring1][#Branch2]
0
Nc1cc(Cl)ccc1O
[N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O]
1
CCCCCCCCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
[C][C][C][C][C][C][C][C][N][C][=C][N+1][Branch1][C][C][=C][Ring1][=Branch1].[O][=S][=Branch1][C][=O][Branch1][P][N-1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]
0