zpn/clintox · Datasets at Hugging Face

smiles stringlengths 2 323	selfies stringlengths 4 1.08k	target int64 0 1
NC(=O)NO	[N][C][=Branch1][C][=O][N][O]	0
FCOC(C(F)(F)F)C(F)(F)F	[F][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]	0
C/C(=N\O)[C@@H](C)[NH2+]CC(C)(C)C[NH2+][C@H](C)/C(C)=N/O	[C][/C][=Branch1][Ring1][=N][\O][C@@H1][Branch1][C][C][NH2+1][C][C][Branch1][C][C][Branch1][C][C][C][NH2+1][C@H1][Branch1][C][C][/C][Branch1][C][C][=N][/O]	0
C[N+](C)(C)C[C@H](O)CC(=O)[O-]	[C][N+1][Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][C][O][C][C][=Branch1][C][=O][O-1]	0
C[N+](C)(C)CC(=O)[O-]	[C][N+1][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O-1]	0
C=CC[NH2+]CCCCCC[N+](C)(C)C	[C][=C][C][NH2+1][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C]	0
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C	[C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C]	0
C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C	[C][N+1][Branch1][C][C][Branch1][C][C][C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C]	0
C[N+](C)(C)CCOC(N)=O	[C][N+1][Branch1][C][C][Branch1][C][C][C][C][O][C][Branch1][C][N][=O]	0
C[NH+](CCCl)CCCl	[C][NH1+1][Branch1][Ring2][C][C][Cl][C][C][Cl]	0
C[NH2+]C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	[C][NH2+1][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O]	0
CC(O)C(=O)[O-]	[C][C][Branch1][C][O][C][=Branch1][C][=O][O-1]	0
CC(S)C(=O)NCC(=O)[O-]	[C][C][Branch1][C][S][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O-1]	0
CC(C)(S)[C@@H]([NH3+])C(=O)[O-]	[C][C][Branch1][C][C][Branch1][C][S][C@@H1][Branch1][C][NH3+1][C][=Branch1][C][=O][O-1]	0
CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-]	[C][C][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O-1]	0
CC(C)(CO)[C@@H](O)C(=O)NCCCO	[C][C][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][O]	0
CC(C)C[C@H](C[NH3+])CC(=O)[O-]	[C][C][Branch1][C][C][C][C@H1][Branch1][Ring1][C][NH3+1][C][C][=Branch1][C][=O][O-1]	0
CC(C)O	[C][C][Branch1][C][C][O]	0
CC(C)OP(=O)(F)OC(C)C	[C][C][Branch1][C][C][O][P][=Branch1][C][=O][Branch1][C][F][O][C][Branch1][C][C][C]	0
CC(=O)OC(C)C[N+](C)(C)C	[C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C]	0
CC(C[N+](C)(C)C)OC(N)=O	[C][C][Branch1][#Branch2][C][N+1][Branch1][C][C][Branch1][C][C][C][O][C][Branch1][C][N][=O]	0
CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	[C][C][Branch1][C][O][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O-1][O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1]	0
CC(=O)[O-]	[C][C][=Branch1][C][=O][O-1]	0
CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCC[NH3+]	[C][C][=Branch1][C][=O][N][Branch1][C][O][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][C][O][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][C][O][C][C][C][C][C][NH3+1]	0
CC(=O)N[C@@H](CS)C(=O)[O-]	[C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][O-1]	0
CC(=O)NCCCS(=O)(=O)[O-]	[C][C][=Branch1][C][=O][N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O-1]	0
CC(=O)NO	[C][C][=Branch1][C][=O][N][O]	0
CC(=O)OCC[N+](C)(C)C	[C][C][=Branch1][C][=O][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C]	0
CC[C@@H](CO)NCC[NH2+][C@@H](CC)CO	[C][C][C@@H1][Branch1][Ring1][C][O][N][C][C][NH2+1][C@@H1][Branch1][Ring1][C][C][C][O]	0
C#CC(O)(/C=C/Cl)CC	[C][#C][C][Branch1][C][O][Branch1][Ring2][/C][=C][/Cl][C][C]	0
CCC(C)C(C)(COC(N)=O)COC(N)=O	[C][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][C][O][C][Branch1][C][N][=O]	0
C=CC([NH3+])CCC(=O)[O-]	[C][=C][C][Branch1][C][NH3+1][C][C][C][=Branch1][C][=O][O-1]	0
CCCC(C)(COC(N)=O)COC(N)=O	[C][C][C][C][Branch1][C][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][C][O][C][Branch1][C][N][=O]	0
CCCC(C)(COC(N)=O)COC(=O)NC(C)C	[C][C][C][C][Branch1][C][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C]	0
CCCC(CCC)C(=O)[O-]	[C][C][C][C][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][O-1]	0
CCCCC[NH+](C)CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	[C][C][C][C][C][NH1+1][Branch1][C][C][C][C][C][Branch1][C][O][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O-1][O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1]	0
CCCCCCCC(=O)OCC(O)CO	[C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][O]	0
CCCCCCCC/C=C\CCCCCCCC(=O)[O-]	[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1]	0
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC	[C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C@H1][Branch2][Ring1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C]	0
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC	[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C]	0
CCCCCCCCCCCCCCCCCCCCCCO	[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O]	0
CCCCCCCCCCCCCCCCO	[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O]	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
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	[C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O]	0
CCCCCCOC(=O)CCC(=O)C[NH3+]	[C][C][C][C][C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][NH3+1]	0
CCN(CC)C(=S)SSC(=S)N(CC)CC	[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=S][S][S][C][=Branch1][C][=S][N][Branch1][Ring1][C][C][C][C]	0
CCO	[C][C][O]	0
CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC	[C][C][O][C][=Branch1][C][=O][C][C][Branch1][N][S][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][C][=Branch1][C][=O][O][C][C]	0
CCOCCP(CCOCC)CCP(CCOCC)CCOCC	[C][C][O][C][C][P][Branch1][=Branch1][C][C][O][C][C][C][C][P][Branch1][=Branch1][C][C][O][C][C][C][C][O][C][C]	0
CCOP(=O)(OCC)SCC[N+](C)(C)C	[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][S][C][C][N+1][Branch1][C][C][Branch1][C][C][C]	0
Cl[201Tl]	[Cl][201Tl]	0
Cl[Cr](Cl)Cl	[Cl][Cr][Branch1][C][Cl][Cl]	0
Cl[Cu]Cl	[Cl][Cu][Cl]	0
Cl[Mn]Cl	[Cl][Mn][Cl]	0
Cl[Zn]Cl	[Cl][Zn][Cl]	0
CN(C)C(=[NH2+])NC(N)=[NH2+]	[C][N][Branch1][C][C][C][=Branch1][C][=NH2+1][N][C][Branch1][C][N][=NH2+1]	0
CNC(=O)CN(CCN(CC[NH+](CC(=O)[O-])CC(=O)NC)CC(=O)[O-])CC(=O)[O-]	[C][N][C][=Branch1][C][=O][C][N][Branch2][Ring1][#C][C][C][N][Branch2][Ring1][Ring1][C][C][NH1+1][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1]	0
CO[Si](C)(C)O[Si](C)(C)C	[C][O][Si][Branch1][C][C][Branch1][C][C][O][Si][Branch1][C][C][Branch1][C][C][C]	0
COC(F)(F)C(Cl)Cl	[C][O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][Cl][Cl]	0
COC(CNC(N)=O)C[Hg]Cl	[C][O][C][Branch1][Branch2][C][N][C][Branch1][C][N][=O][C][Hg][Cl]	0
COC(=O)CCC(=O)C[NH3+]	[C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][NH3+1]	0
COCCNC(=O)CN(CCN(CC[NH+](CC(=O)[O-])CC(=O)NCCOC)CC(=O)[O-])CC(=O)[O-]	[C][O][C][C][N][C][=Branch1][C][=O][C][N][Branch2][Ring2][C][C][C][N][Branch2][Ring1][=Branch1][C][C][NH1+1][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][N][C][C][O][C][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1]	0
COCCO	[C][O][C][C][O]	0
CS(C)=O	[C][S][Branch1][C][C][=O]	0
II	[I][I]	0
O=N[O-]	[O][=N][O-1]	0
O=[32P]([O-])([O-])O	[O][=32P][Branch1][C][O-1][Branch1][C][O-1][O]	0
O=[Al]O[Al]=O	[O][=Al][O][Al][=O]	0
O=[Si](O)O	[O][=Si][Branch1][C][O][O]	0
O=[Ti]=O	[O][=Ti][=O]	0
O=[Zn]	[O][=Zn]	0
[O-][Cl+3]([O-])([O-])O	[O-1][Cl+3][Branch1][C][O-1][Branch1][C][O-1][O]	0
S=[Se]=S	[S][=Se][=S]	0
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C	[C][C@@H1][C][C@H1][C@@H1][C][C@H1][Branch1][C][F][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][Ring1][Branch1][C][C][C@@][Ring2][Ring1][#Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C]	0
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C	[C][C@@H1][C][C@H1][C@@H1][C][C@H1][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][=N][Branch1][C][Cl][C@@H1][Branch1][C][O][C][C@][Ring2][Ring1][Ring1][Branch1][C][C][C@H1][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C]	0
CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)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@H1][Branch1][C][C][C][C@H1][C@@H1][C][C@H1][Branch1][C][F][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
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO	[C][C@@H1][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][Branch1][C][C][C@@][Ring2][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O]	1
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-]	[C][C@@H1][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][Branch1][C][C][C@@][Ring2][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1]	0
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO	[C][C@@H1][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][Branch1][C][C][C@H1][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][C][O]	0
C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@@H](O)[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F	[C][C@][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C@H1][C@@H1][C][C@@H1][Branch1][C][O][C@][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C@@][Ring1][O][Branch1][C][C][C][C@H1][Branch1][C][O][C@@][Ring1][P][Ring2][Ring1][#Branch2][F]	0
C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO	[C][C@][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C@@H1][Branch1][C][F][C][C@@H1][C@@H1][Ring1][N][C@@H1][Branch1][C][O][C][C@@][Branch1][C][C][C@H1][Ring1][Branch2][C][C][C@][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O]	0
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO	[C][C@][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C@@H1][C@@H1][Ring1][O][C@@H1][Branch1][C][O][C][C@@][Branch1][C][C][C@H1][Ring1][Branch2][C][C][C@][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O]	1
CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	[C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@][Branch1][C][O][C][C][C@H1][C@@H1][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@@][Ring1][P][Ring2][Ring1][Branch1][C]	0
CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	[C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][C][C][C][C@H1][C@@H1][C][C@H1][Branch1][C][F][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][Ring1][Ring2][Ring1][O][C]	0
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	[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@@][Ring1][=N][Branch1][C][F][C@@H1][Branch1][C][O][C][C@@][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch1][C]	0
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	[C][C][=Branch1][C][=O][O][C@][Branch1][=Branch1][C][Branch1][C][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@@][Ring1][=N][Branch1][C][F][C@@H1][Branch1][C][O][C][C@@][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch2][C]	0
C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)CO)[C@@]2(C)C=CC(=O)C=C12	[C][C@H1][C][C@@H1][C@H1][Branch2][Ring1][O][C@@H1][Branch1][C][O][C][C@@][Branch1][C][C][C@H1][Ring1][Branch2][C][C][C@][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O][C@@][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring2][Ring1][#Branch2][Ring1][Branch2]	0
C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)COC(=O)CCC(=O)[O-])[C@@]2(C)C=CC(=O)C=C12	[C][C@H1][C][C@@H1][C@H1][Branch2][Ring2][=Branch1][C@@H1][Branch1][C][O][C][C@@][Branch1][C][C][C@H1][Ring1][Branch2][C][C][C@][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O-1][C@@][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring2][Ring1][P][Ring1][Branch2]	0
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO	[C][C@H1][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][Branch1][C][C][C@@][Ring2][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O]	0
CC(=O)OCC(=O)[C@@]1(O)[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][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@][Branch1][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][#Branch1][C]	0
CCC(=O)[C@@]1(C)[C@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)C3[C@@H](O)C[C@@]21C	[C][C][C][=Branch1][C][=O][C@@][Branch1][C][C][C@H1][Branch1][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@@H1][Branch1][C][O][C][C@@][Ring1][P][Ring2][Ring1][=Branch1][C]	0
CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	[C][C][C][=Branch1][C][=O][O][C@][Branch1][Branch2][C][=Branch1][C][=O][S][C][F][C@H1][Branch1][C][C][C][C@H1][C@@H1][C][C@H1][Branch1][C][F][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][Ring1][Ring2][Ring1][N][C]	0
CCC(=O)O[C@]1(C(=O)CCl)[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][=Branch1][C][=O][O][C@][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][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
CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)CC2C3C[C@H](F)C4=CC(=O)C=CC4(C)[C@@]3(F)C(O)CC21C	[C][C][C][=Branch1][C][=O][O][C@][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C@@H1][Branch1][C][C][C][C][C][C][C@H1][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][=N][Branch1][C][F][C][Branch1][C][O][C][C][Ring2][Ring1][Ring1][Ring2][Ring1][O][C]	0
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl	[C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@][Branch1][Branch2][O][C][=Branch1][C][=O][C][C][C@H1][Branch1][C][C][C][C@H1][C@H1][C@H1][Branch1][N][C@@H1][Branch1][C][O][C][C@@][Ring1][#Branch1][Ring1][S][C][C@@][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring1][Branch2][C][C@H1][Ring1][P][Cl]	0
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C	[C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@][Branch1][Branch2][O][C][=Branch1][C][=O][C][C][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][Cl][C@@H1][Branch1][C][O][C][C@@][Ring2][Ring1][C][Ring2][Ring1][O][C]	0
CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	[C][C][O][C][=Branch1][C][=O][O][C@][Branch1][=N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][C][C][C@H1][C@@H1][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@@][Ring1][P][Ring2][Ring1][N][C]	0
CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	[C][C][C][C][=Branch1][C][=O][O][C@][Branch1][N][C][=Branch1][C][=O][C][O][C][Branch1][C][C][=O][C][C][C@H1][C@@H1][C][C@H1][Branch1][C][F][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][Ring1][Ring2][Ring1][=N][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
CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	[C][C][O][C][=Branch1][C][=O][O][C@][Branch1][Branch2][C][=Branch1][C][=O][O][C][Cl][C][C][C@H1][C@@H1][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@@][Ring1][P][Ring2][Ring1][=Branch2][C]	0

NC(=O)NO

[N][C][=Branch1][C][=O][N][O]

0

FCOC(C(F)(F)F)C(F)(F)F

[F][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]

0

C/C(=N\O)[C@@H](C)[NH2+]CC(C)(C)C[NH2+][C@H](C)/C(C)=N/O

[C][/C][=Branch1][Ring1][=N][\O][C@@H1][Branch1][C][C][NH2+1][C][C][Branch1][C][C][Branch1][C][C][C][NH2+1][C@H1][Branch1][C][C][/C][Branch1][C][C][=N][/O]

0

C[N+](C)(C)C[C@H](O)CC(=O)[O-]

[C][N+1][Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][C][O][C][C][=Branch1][C][=O][O-1]

0

C[N+](C)(C)CC(=O)[O-]

[C][N+1][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O-1]

0

C=CC[NH2+]CCCCCC[N+](C)(C)C

[C][=C][C][NH2+1][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C]

0

C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C

[C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C]

0

C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C

[C][N+1][Branch1][C][C][Branch1][C][C][C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C]

0

C[N+](C)(C)CCOC(N)=O

[C][N+1][Branch1][C][C][Branch1][C][C][C][C][O][C][Branch1][C][N][=O]

0

C[NH+](CCCl)CCCl

[C][NH1+1][Branch1][Ring2][C][C][Cl][C][C][Cl]

0

C[NH2+]C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

[C][NH2+1][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O]

0

CC(O)C(=O)[O-]

[C][C][Branch1][C][O][C][=Branch1][C][=O][O-1]

0

CC(S)C(=O)NCC(=O)[O-]

[C][C][Branch1][C][S][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O-1]

0

CC(C)(S)[C@@H]([NH3+])C(=O)[O-]

[C][C][Branch1][C][C][Branch1][C][S][C@@H1][Branch1][C][NH3+1][C][=Branch1][C][=O][O-1]

0

CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-]

[C][C][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O-1]

0

CC(C)(CO)[C@@H](O)C(=O)NCCCO

[C][C][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][O]

0

CC(C)C[C@H](C[NH3+])CC(=O)[O-]

[C][C][Branch1][C][C][C][C@H1][Branch1][Ring1][C][NH3+1][C][C][=Branch1][C][=O][O-1]

0

CC(C)O

[C][C][Branch1][C][C][O]

0

CC(C)OP(=O)(F)OC(C)C

[C][C][Branch1][C][C][O][P][=Branch1][C][=O][Branch1][C][F][O][C][Branch1][C][C][C]

0

CC(=O)OC(C)C[N+](C)(C)C

[C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C]

0

CC(C[N+](C)(C)C)OC(N)=O

[C][C][Branch1][#Branch2][C][N+1][Branch1][C][C][Branch1][C][C][C][O][C][Branch1][C][N][=O]

0

CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]

[C][C][Branch1][C][O][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O-1][O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1]

0

CC(=O)[O-]

[C][C][=Branch1][C][=O][O-1]

0

CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCC[NH3+]

[C][C][=Branch1][C][=O][N][Branch1][C][O][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][C][O][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][C][O][C][C][C][C][C][NH3+1]

0

CC(=O)N[C@@H](CS)C(=O)[O-]

[C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][O-1]

0

CC(=O)NCCCS(=O)(=O)[O-]

[C][C][=Branch1][C][=O][N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O-1]

0

CC(=O)NO

[C][C][=Branch1][C][=O][N][O]

0

CC(=O)OCC[N+](C)(C)C

[C][C][=Branch1][C][=O][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C]

0

CC[C@@H](CO)NCC[NH2+][C@@H](CC)CO

[C][C][C@@H1][Branch1][Ring1][C][O][N][C][C][NH2+1][C@@H1][Branch1][Ring1][C][C][C][O]

0

C#CC(O)(/C=C/Cl)CC

[C][#C][C][Branch1][C][O][Branch1][Ring2][/C][=C][/Cl][C][C]

0

CCC(C)C(C)(COC(N)=O)COC(N)=O

[C][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][C][O][C][Branch1][C][N][=O]

0

C=CC([NH3+])CCC(=O)[O-]

[C][=C][C][Branch1][C][NH3+1][C][C][C][=Branch1][C][=O][O-1]

0

CCCC(C)(COC(N)=O)COC(N)=O

[C][C][C][C][Branch1][C][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][C][O][C][Branch1][C][N][=O]

0

CCCC(C)(COC(N)=O)COC(=O)NC(C)C

[C][C][C][C][Branch1][C][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C]

0

CCCC(CCC)C(=O)[O-]

[C][C][C][C][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][O-1]

0

CCCCC[NH+](C)CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]

[C][C][C][C][C][NH1+1][Branch1][C][C][C][C][C][Branch1][C][O][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O-1][O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1]

0

CCCCCCCC(=O)OCC(O)CO

[C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][O]

0

CCCCCCCC/C=C\CCCCCCCC(=O)[O-]

[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1]

0

CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

[C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C@H1][Branch2][Ring1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C]

0

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC

[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C]

0

CCCCCCCCCCCCCCCCCCCCCCO

[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O]

0

CCCCCCCCCCCCCCCCO

[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O]

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

CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

[C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O]

0

CCCCCCOC(=O)CCC(=O)C[NH3+]

[C][C][C][C][C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][NH3+1]

0

CCN(CC)C(=S)SSC(=S)N(CC)CC

[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=S][S][S][C][=Branch1][C][=S][N][Branch1][Ring1][C][C][C][C]

0

CCO

[C][C][O]

0

CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC

[C][C][O][C][=Branch1][C][=O][C][C][Branch1][N][S][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][C][=Branch1][C][=O][O][C][C]

0

CCOCCP(CCOCC)CCP(CCOCC)CCOCC

[C][C][O][C][C][P][Branch1][=Branch1][C][C][O][C][C][C][C][P][Branch1][=Branch1][C][C][O][C][C][C][C][O][C][C]

0

CCOP(=O)(OCC)SCC[N+](C)(C)C

[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][S][C][C][N+1][Branch1][C][C][Branch1][C][C][C]

0

Cl[201Tl]

[Cl][201Tl]

0

Cl[Cr](Cl)Cl

[Cl][Cr][Branch1][C][Cl][Cl]

0

Cl[Cu]Cl

[Cl][Cu][Cl]

0

Cl[Mn]Cl

[Cl][Mn][Cl]

0

Cl[Zn]Cl

[Cl][Zn][Cl]

0

CN(C)C(=[NH2+])NC(N)=[NH2+]

[C][N][Branch1][C][C][C][=Branch1][C][=NH2+1][N][C][Branch1][C][N][=NH2+1]

0

CNC(=O)CN(CCN(CC[NH+](CC(=O)[O-])CC(=O)NC)CC(=O)[O-])CC(=O)[O-]

[C][N][C][=Branch1][C][=O][C][N][Branch2][Ring1][#C][C][C][N][Branch2][Ring1][Ring1][C][C][NH1+1][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1]

0

CO[Si](C)(C)O[Si](C)(C)C

[C][O][Si][Branch1][C][C][Branch1][C][C][O][Si][Branch1][C][C][Branch1][C][C][C]

0

COC(F)(F)C(Cl)Cl

[C][O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][Cl][Cl]

0

COC(CNC(N)=O)C[Hg]Cl

[C][O][C][Branch1][Branch2][C][N][C][Branch1][C][N][=O][C][Hg][Cl]

0

COC(=O)CCC(=O)C[NH3+]

[C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][NH3+1]

0

COCCNC(=O)CN(CCN(CC[NH+](CC(=O)[O-])CC(=O)NCCOC)CC(=O)[O-])CC(=O)[O-]

[C][O][C][C][N][C][=Branch1][C][=O][C][N][Branch2][Ring2][C][C][C][N][Branch2][Ring1][=Branch1][C][C][NH1+1][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][N][C][C][O][C][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1]

0

COCCO

[C][O][C][C][O]

0

CS(C)=O

[C][S][Branch1][C][C][=O]

0

II

[I][I]

0

O=N[O-]

[O][=N][O-1]

0

O=[32P]([O-])([O-])O

[O][=32P][Branch1][C][O-1][Branch1][C][O-1][O]

0

O=[Al]O[Al]=O

[O][=Al][O][Al][=O]

0

O=[Si](O)O

[O][=Si][Branch1][C][O][O]

0

O=[Ti]=O

[O][=Ti][=O]

0

O=[Zn]

[O][=Zn]

0

[O-][Cl+3]([O-])([O-])O

[O-1][Cl+3][Branch1][C][O-1][Branch1][C][O-1][O]

0

S=[Se]=S

[S][=Se][=S]

0

C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C

[C][C@@H1][C][C@H1][C@@H1][C][C@H1][Branch1][C][F][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][Ring1][Branch1][C][C][C@@][Ring2][Ring1][#Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C]

0

C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C

[C][C@@H1][C][C@H1][C@@H1][C][C@H1][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][=N][Branch1][C][Cl][C@@H1][Branch1][C][O][C][C@][Ring2][Ring1][Ring1][Branch1][C][C][C@H1][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C]

0

CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)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@H1][Branch1][C][C][C][C@H1][C@@H1][C][C@H1][Branch1][C][F][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

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

[C][C@@H1][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][Branch1][C][C][C@@][Ring2][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O]

1

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-]

[C][C@@H1][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][Branch1][C][C][C@@][Ring2][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1]

0

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO

[C][C@@H1][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][Branch1][C][C][C@H1][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][C][O]

0

C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@@H](O)[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F

[C][C@][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C@H1][C@@H1][C][C@@H1][Branch1][C][O][C@][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C@@][Ring1][O][Branch1][C][C][C][C@H1][Branch1][C][O][C@@][Ring1][P][Ring2][Ring1][#Branch2][F]

0

C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO

[C][C@][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C@@H1][Branch1][C][F][C][C@@H1][C@@H1][Ring1][N][C@@H1][Branch1][C][O][C][C@@][Branch1][C][C][C@H1][Ring1][Branch2][C][C][C@][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O]

0

C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO

[C][C@][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C@@H1][C@@H1][Ring1][O][C@@H1][Branch1][C][O][C][C@@][Branch1][C][C][C@H1][Ring1][Branch2][C][C][C@][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O]

1

CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

[C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@][Branch1][C][O][C][C][C@H1][C@@H1][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@@][Ring1][P][Ring2][Ring1][Branch1][C]

0

CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

[C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][C][C][C][C@H1][C@@H1][C][C@H1][Branch1][C][F][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][Ring1][Ring2][Ring1][O][C]

0

CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

[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@@][Ring1][=N][Branch1][C][F][C@@H1][Branch1][C][O][C][C@@][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch1][C]

0

CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

[C][C][=Branch1][C][=O][O][C@][Branch1][=Branch1][C][Branch1][C][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@@][Ring1][=N][Branch1][C][F][C@@H1][Branch1][C][O][C][C@@][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch2][C]

0

C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)CO)[C@@]2(C)C=CC(=O)C=C12

[C][C@H1][C][C@@H1][C@H1][Branch2][Ring1][O][C@@H1][Branch1][C][O][C][C@@][Branch1][C][C][C@H1][Ring1][Branch2][C][C][C@][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O][C@@][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring2][Ring1][#Branch2][Ring1][Branch2]

0

C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)COC(=O)CCC(=O)[O-])[C@@]2(C)C=CC(=O)C=C12

[C][C@H1][C][C@@H1][C@H1][Branch2][Ring2][=Branch1][C@@H1][Branch1][C][O][C][C@@][Branch1][C][C][C@H1][Ring1][Branch2][C][C][C@][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O-1][C@@][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring2][Ring1][P][Ring1][Branch2]

0

C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

[C][C@H1][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][Branch1][C][C][C@@][Ring2][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O]

0

CC(=O)OCC(=O)[C@@]1(O)[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][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@][Branch1][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][#Branch1][C]

0

CCC(=O)[C@@]1(C)[C@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)C3[C@@H](O)C[C@@]21C

[C][C][C][=Branch1][C][=O][C@@][Branch1][C][C][C@H1][Branch1][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@@H1][Branch1][C][O][C][C@@][Ring1][P][Ring2][Ring1][=Branch1][C]

0

CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

[C][C][C][=Branch1][C][=O][O][C@][Branch1][Branch2][C][=Branch1][C][=O][S][C][F][C@H1][Branch1][C][C][C][C@H1][C@@H1][C][C@H1][Branch1][C][F][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][Ring1][Ring2][Ring1][N][C]

0

CCC(=O)O[C@]1(C(=O)CCl)[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][=Branch1][C][=O][O][C@][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][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

CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)CC2C3C[C@H](F)C4=CC(=O)C=CC4(C)[C@@]3(F)C(O)CC21C

[C][C][C][=Branch1][C][=O][O][C@][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C@@H1][Branch1][C][C][C][C][C][C][C@H1][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][=N][Branch1][C][F][C][Branch1][C][O][C][C][Ring2][Ring1][Ring1][Ring2][Ring1][O][C]

0

CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl

[C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@][Branch1][Branch2][O][C][=Branch1][C][=O][C][C][C@H1][Branch1][C][C][C][C@H1][C@H1][C@H1][Branch1][N][C@@H1][Branch1][C][O][C][C@@][Ring1][#Branch1][Ring1][S][C][C@@][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring1][Branch2][C][C@H1][Ring1][P][Cl]

0

CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C

[C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@][Branch1][Branch2][O][C][=Branch1][C][=O][C][C][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][Cl][C@@H1][Branch1][C][O][C][C@@][Ring2][Ring1][C][Ring2][Ring1][O][C]

0

CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

[C][C][O][C][=Branch1][C][=O][O][C@][Branch1][=N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][C][C][C@H1][C@@H1][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@@][Ring1][P][Ring2][Ring1][N][C]

0

CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

[C][C][C][C][=Branch1][C][=O][O][C@][Branch1][N][C][=Branch1][C][=O][C][O][C][Branch1][C][C][=O][C][C][C@H1][C@@H1][C][C@H1][Branch1][C][F][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][Ring1][Ring2][Ring1][=N][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

CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

[C][C][O][C][=Branch1][C][=O][O][C@][Branch1][Branch2][C][=Branch1][C][=O][O][C][Cl][C][C][C@H1][C@@H1][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@@][Ring1][P][Ring2][Ring1][=Branch2][C]

0