HoangHa/enamine-diverse-selfies-pretrain · Datasets at Hugging Face

molecule_smiles stringlengths 9 96	SELFIES stringlengths 33 336
CC1(C)OC(C(=O)N=S(C)(=O)C23CC(C2)C3)C(C)(C)O1	[C][C][Branch1][C][C][O][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][=S][Branch1][C][C][=Branch1][C][=O][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][Ring1]
CC1N(CC2CC3CCC(C2)O3)CCC12CNC2	[C][C][N][Branch1][S][C][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][O][Ring1][=Branch1][C][C][C][Ring1][=C][C][N][C][Ring1][Ring2]
CCC(CN[C@H](CN(C)C)C(C)(C)C)CC(F)F	[C][C][C][Branch2][Ring1][Ring2][C][N][C@H1][Branch1][#Branch1][C][N][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][F][F]
CC[C@H](COC(F)(F)F)NC1C2CNCC1CC(F)(F)C2	[C][C][C@H1][Branch1][O][C][O][C][Branch1][C][F][Branch1][C][F][F][N][C][C][C][N][C][C][Ring1][=Branch1][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch2]
CN1N=C(Cl)C(C2=CC=CC3=C2CC=C3)=N1	[C][N][N][=C][Branch1][C][Cl][C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][Branch1][=N][Ring1][#C]
CSCC1(CN2CC(N(C)C)C(C)(C)C2)CC(F)(F)C1	[C][S][C][C][Branch2][Ring1][=Branch1][C][N][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][P]
C[C@@H]1[C@H]2CN(C3=NCC(C)(C)N3C)C[C@@H]12.I	[C][C@@H1][C@H1][C][N][Branch1][#C][C][=N][C][C][Branch1][C][C][Branch1][C][C][N][Ring1][#Branch1][C][C][C@@H1][Ring1][=C][Ring1][=N].[I]
NCC[C@H](OC(F)F)C(=O)NC12CC(CC(F)F)(C1)C2	[N][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch1][C][C][Branch1][C][F][F][Branch1][Ring2][C][Ring1][Branch2][C][Ring1][=Branch2]
N[C@H]1C[C@H](CN2C[C@H]3OC[C@@H]2[C@@H]3O)C1	[N][C@H1][C][C@H1][Branch1][=C][C][N][C][C@H1][O][C][C@@H1][Ring1][=Branch1][C@@H1][Ring1][Branch1][O][C][Ring1][=N]
O=C(NC1(CCF)CC(O)C1)[C@@H]1C[C@@H]2[C@H](N1)[C@@H]2C(F)(F)F	[O][=C][Branch1][S][N][C][Branch1][Ring2][C][C][F][C][C][Branch1][C][O][C][Ring1][Branch2][C@@H1][C][C@@H1][C@H1][Branch1][Ring2][N][Ring1][Branch1][C@@H1][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F]
O=C(NC12CCC(C1)N(C(=O)C1(C3CC3)CC1)C2)C(C(F)(F)F)C(F)(F)F	[O][=C][Branch2][Ring1][P][N][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][=Branch1][C][Ring1][#C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]
CC(C)N1CC(F)(F)C1(C)C	[C][C][Branch1][C][C][N][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][Branch1][C][C][C]
CC1=C(C=C2COC2)CCC1=O	[C][C][=C][Branch1][Branch2][C][=C][C][O][C][Ring1][Ring2][C][C][C][Ring1][#Branch2][=O]
CCC(CC)C(C)NC1CNC1(C)C	[C][C][C][Branch1][Ring1][C][C][C][Branch1][C][C][N][C][C][N][C][Ring1][Ring2][Branch1][C][C][C]
CS(=O)(C[C@H]1C[C@@H](O)C1)=NC(=O)C1CC(=O)C12CCC(F)(F)CC2	[C][S][=Branch1][C][=O][Branch1][O][C][C@H1][C][C@@H1][Branch1][C][O][C][Ring1][Branch1][=N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][Ring1][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2]
CC(C)(CO)CC(O)CNC1(C)CC2(CC(F)(F)C2)C1	[C][C][Branch1][C][C][Branch1][Ring1][C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][C][Branch1][N][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][C][Ring1][#Branch2]
CC(CCCF)N1CC(F)(F)C[C@@H]1CN(C)C	[C][C][Branch1][Branch1][C][C][C][F][N][C][C][Branch1][C][F][Branch1][C][F][C][C@@H1][Ring1][#Branch1][C][N][Branch1][C][C][C]
CC1(C2=CC=C(C3=CCSC3)S2)CCO1	[C][C][Branch1][P][C][=C][C][=C][Branch1][Branch2][C][=C][C][S][C][Ring1][Branch1][S][Ring1][#Branch2][C][C][O][Ring1][=C]
CC1CN(CC23CC(S(C)(=O)=O)(CO2)C3)C1C	[C][C][C][N][Branch2][Ring1][Branch2][C][C][C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][Branch1][Branch1][C][O][Ring1][=Branch2][C][Ring1][#Branch2][C][Ring1][#C][C]
CCC(C#N)CSCC1CC12CCC2	[C][C][C][Branch1][Ring1][C][#N][C][S][C][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring2]
CCC(CC)SCC12CC(C1)C(C)(C)O2	[C][C][C][Branch1][Ring1][C][C][S][C][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2]
COC1(CF)CN(C(C)C(C)(C)O)C1	[C][O][C][Branch1][Ring1][C][F][C][N][Branch1][=N][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][N]
COCC=CC1=NN(C)N=C1Cl	[C][O][C][C][=C][C][=N][N][Branch1][C][C][N][=C][Ring1][=Branch1][Cl]
CSC1CN(C(=O)C23CCC(C)(C2)NC3)C(C)(C)C1	[C][S][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Ring2][C][Ring1][=Branch1][N][C][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][Ring1][P]
O=C1CN(S(=O)(=O)CC=CCl)CC2=C1SC(Br)=N2	[O][=C][C][N][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][Cl][C][C][=C][Ring1][=N][S][C][Branch1][C][Br][=N][Ring1][=Branch1]
C=CN1N=CN=C1S(=O)(=O)N1CCCC(F)(F)C12CC2	[C][=C][N][N][=C][N][=C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][Branch2][C][C][Ring1][Ring1]
CC(C)C(CCN(C)C1(C)CC1)C(C)C	[C][C][Branch1][C][C][C][Branch1][#C][C][C][N][Branch1][C][C][C][Branch1][C][C][C][C][Ring1][Ring2][C][Branch1][C][C][C]
CC(C)CC(C)N1CC2(O)CC1C2	[C][C][Branch1][C][C][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][C][Ring1][=Branch1][C][Ring1][Branch1]
CC1=C(/C=C/C2CCCC2)SC(F)=N1	[C][C][=C][Branch1][#Branch2][/C][=C][/C][C][C][C][C][Ring1][Branch1][S][C][Branch1][C][F][=N][Ring1][=N]
CC1=C(Br)N(C)C(C)=C1C(=O)N(C)C(C)C1(O)CNC1	[C][C][=C][Branch1][C][Br][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][Branch1][C][O][C][N][C][Ring1][Branch1]
CC1CC(NC23CC(C)(C2)OC3(C)C)CC(C)N1C	[C][C][C][C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][C][C][Branch1][Ring2][C][Ring1][Branch1][O][C][Ring1][#Branch1][Branch1][C][C][C][C][C][Branch1][C][C][N][Ring1][P][C]
CC=CC1=C(C#N)C=C(C(C)C)S1	[C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][S][Ring1][#Branch2]
CCC1(COC(=O)C23CC(CC(C)C)(C2)C3)COC(=O)C1	[C][C][C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][C][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][Branch1][Ring2][C][Ring1][Branch2][C][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1]
CCC1(CSCC2CC(C(F)(F)F)C2)COC1	[C][C][C][Branch2][Ring1][Ring2][C][S][C][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][Branch2][C][O][C][Ring1][#C]
CCS(=O)(CC)=NS(=O)(=O)N=S1(=O)CC(C#N)C1	[C][C][S][=Branch1][C][=O][Branch1][Ring1][C][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][=S][=Branch1][C][=O][C][C][Branch1][Ring1][C][#N][C][Ring1][#Branch1]
COC12CC(C1)N(CC(C)(C)CC(F)F)C2	[C][O][C][C][C][Branch1][Ring2][C][Ring1][Ring2][N][Branch1][#C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][F][F][C][Ring1][=C]
CSC(C(=O)N(C)C[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC4(CC4)CN3C)C[C@@H]12)C(C)C	[C][S][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][C@H1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@@H1][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][N][Ring1][#Branch1][C][C][C@@H1][Ring1][S][Ring1][#C][C][Branch1][C][C][C]
FC1CC(CCN2C3COCC2COC3)C1	[F][C][C][C][Branch1][S][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][O][C][Ring1][Branch2][C][Ring1][#C]
FCC(CF)N1CCN2CCC3CC2(C3)C1	[F][C][C][Branch1][Ring1][C][F][N][C][C][N][C][C][C][C][C][Ring1][=Branch1][Branch1][Ring2][C][Ring1][Ring2][C][Ring1][O]
FCC1(CNC23CCCC(F)(CC2)C3)COC1	[F][C][C][Branch2][Ring1][Ring2][C][N][C][C][C][C][C][Branch1][C][F][Branch1][Branch1][C][C][Ring1][Branch2][C][Ring1][=Branch2][C][O][C][Ring1][#C]
NC1(CCN2CCCC3(N)CC23)CC1	[N][C][Branch1][P][C][C][N][C][C][C][C][Branch1][C][N][C][C][Ring1][Branch2][Ring1][Ring2][C][C][Ring1][=N]
NC1CC(N(CCOC(F)F)C2CC2)C1	[N][C][C][C][Branch1][P][N][Branch1][=Branch2][C][C][O][C][Branch1][C][F][F][C][C][C][Ring1][Ring1][C][Ring1][=C]
O=C(COC1(C(F)(F)F)COC1)OC1CC(CF)C1	[O][=C][Branch2][Ring1][Ring1][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][O][C][Ring1][Branch2][O][C][C][C][Branch1][Ring1][C][F][C][Ring1][=Branch1]
O=C(OC(CF)CF)C12CC(C3CC3)(C1)C2	[O][=C][Branch1][=Branch2][O][C][Branch1][Ring1][C][F][C][F][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][Branch2]
O=C(OC1CC(C(F)F)C1)C1(C(F)(F)F)OC2CCC1CC2	[O][=C][Branch1][#C][O][C][C][C][Branch1][=Branch1][C][Branch1][C][F][F][C][Ring1][#Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][C][C][C][Ring1][#Branch2][C][C][Ring1][=Branch1]
OC(C1=CC=C(C2=CCSC2)C=C1)C(F)F	[O][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=C][C][S][C][Ring1][Branch1][C][=C][Ring1][O][C][Branch1][C][F][F]
OC1(C(F)(F)F)CC2CC1N(CC1=C(Cl)C(Cl)=NS1)C2	[O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][C][C][Ring1][=Branch2][N][Branch1][#C][C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=N][S][Ring1][#Branch1][C][Ring1][=N]
CC(=CCN(C)CCCC(F)(F)F)C1=NNN=N1	[C][C][=Branch2][Ring1][C][=C][C][N][Branch1][C][C][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=N][N][N][=N][Ring1][Branch1]
CC1CC2(C1)CC(N1CCC(=O)N([C@H](C)C(C)(C)C#N)C1=O)C2	[C][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Branch2][Ring1][N][N][C][C][C][=Branch1][C][=O][N][Branch1][=C][C@H1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][#N][C][Ring1][=C][=O][C][Ring2][Ring1][Ring2]
CC1N=C(NC2(C)CC3(CC(F)(F)C3)C2)N2CCCC12	[C][C][N][=C][Branch2][Ring1][Branch2][N][C][Branch1][C][C][C][C][Branch1][N][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][C][Ring1][#Branch2][N][C][C][C][C][Ring2][Ring1][Ring1][Ring1][Branch1]
CC[C@H]1C(=O)NC(CC2=C(Cl)SC(Cl)=C2Cl)C(=O)N1C	[C][C][C@H1][C][=Branch1][C][=O][N][C][Branch1][S][C][C][=C][Branch1][C][Cl][S][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][N][Ring1][P][C]
NCC1(CSCC2=NN3C=CC=C(F)C3=C2)CC(F)(F)C1	[N][C][C][Branch2][Ring1][Ring2][C][S][C][C][=N][N][C][=C][C][=C][Branch1][C][F][C][Ring1][#Branch1][=C][Ring1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][C][Ring2][Ring1][Ring1]
NCCCN(CCO)C(=O)C12CNC(CO1)C2	[N][C][C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][C][N][C][Branch1][Branch1][C][O][Ring1][=Branch1][C][Ring1][#Branch1]
C=C(CNC)C1=NC=NS1	[C][=C][Branch1][Ring2][C][N][C][C][=N][C][=N][S][Ring1][Branch1]
CC(C)(F)C(C)(C)NS(=O)(=O)C1C(C)(C)C1(C)C	[C][C][Branch1][C][C][Branch1][C][F][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch1][Branch1][C][C][C]
CC(C)=C(Br)CN1CC(C)(C)C12CCC2	[C][C][Branch1][C][C][=C][Branch1][C][Br][C][N][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring2]
CC(C)C(N)C(C)NCC12CCC(C#N)(CC1)CC2	[C][C][Branch1][C][C][C][Branch1][C][N][C][Branch1][C][C][N][C][C][C][C][C][Branch1][Ring1][C][#N][Branch1][Branch1][C][C][Ring1][Branch2][C][C][Ring1][#Branch2]
CC(C)S(=O)(=NS(=O)(=O)C1CC1(F)F)C(C)C	[C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch2][Ring1][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][F][F][C][Branch1][C][C][C]
CCCN(CC1CC12CC2(F)F)C(C)(C)C	[C][C][C][N][Branch1][#C][C][C][C][C][Ring1][Ring1][C][C][Ring1][Ring1][Branch1][C][F][F][C][Branch1][C][C][Branch1][C][C][C]
CN(C)[C@@H]1CN(C(CC2CC2)CC2CC2)CC1(F)F	[C][N][Branch1][C][C][C@@H1][C][N][Branch1][S][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][C][C][Ring1][Ring1][C][C][Ring1][=C][Branch1][C][F][F]
CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)C1CC1(F)F	[C][N][C][C@@H1][C][C@H1][Ring1][Branch1][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][F][F]
CS(=O)CC1(C)CN(CC2(C(F)F)CC2)C1	[C][S][=Branch1][C][=O][C][C][Branch1][C][C][C][N][Branch1][=C][C][C][Branch1][=Branch1][C][Branch1][C][F][F][C][C][Ring1][=Branch1][C][Ring1][N]
O=C1CCC2(CN(S(=O)(=O)C3(C(F)F)CC3)C2)O1	[O][=C][C][C][C][Branch2][Ring1][N][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][F][F][C][C][Ring1][=Branch1][C][Ring1][=N][O][Ring1][P]
C/C(=C\Br)CNC(C1CC1)C1(O)COC1	[C][/C][=Branch1][Ring1][=C][\Br][C][N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][O][C][O][C][Ring1][Branch1]
CC1(C)OC(C(=O)NCC(F)CNC(=O)C2(F)C(C)(C)C2(C)C)C(C)(C)O1	[C][C][Branch1][C][C][O][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][F][C][N][C][=Branch1][C][=O][C][Branch1][C][F][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch1][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][#Branch2]
COC1(C2(NC(=O)C(C)(C)C3(C)CC3(F)F)CC2)CCC1	[C][O][C][Branch2][Ring1][P][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][C][C][Ring1][Ring2][Branch1][C][F][F][C][C][Ring1][#C][C][C][C][Ring2][Ring1][Ring1]
FC(F)(F)N1C=C(Br)N=C1CN1CCN2C=CC=C2C12CNC2	[F][C][Branch1][C][F][Branch1][C][F][N][C][=C][Branch1][C][Br][N][=C][Ring1][=Branch1][C][N][C][C][N][C][=C][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][N][C][Ring1][Ring2]
FC(F)C1(NCC2=NSC(Br)=C2)CCNCC1	[F][C][Branch1][C][F][C][Branch1][=N][N][C][C][=N][S][C][Branch1][C][Br][=C][Ring1][=Branch1][C][C][N][C][C][Ring1][=C]
N#CC1CC12CCN(CC1(C3CC3)COCCN1)CC2	[N][#C][C][C][C][Ring1][Ring1][C][C][N][Branch1][P][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][O][C][C][N][Ring1][=Branch2][C][C][Ring1][S]
O=C1CCC(C(=O)OCC=CBr)(C(F)(F)F)C1	[O][=C][C][C][C][Branch1][#Branch2][C][=Branch1][C][=O][O][C][C][=C][Br][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][S]
O=S1(=O)CC2CC(C1)N(CC1CSCCO1)C2	[O][=S][=Branch1][C][=O][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Branch1][#Branch2][C][C][C][S][C][C][O][Ring1][=Branch1][C][Ring1][=N]
C=C1CN2C(=NN=C2C2=NC(C3=C(N)C=C(C(C)(C)C)S3)=NO2)S1	[C][=C][C][N][C][=Branch2][Ring2][Ring2][=N][N][=C][Ring1][Branch1][C][=N][C][Branch2][Ring1][Branch1][C][=C][Branch1][C][N][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][#Branch2][=N][O][Ring1][#C][S][Ring2][Ring1][#Branch1]
CC(C)=C(F)CN(CCO)C(C)C(C)(C)C	[C][C][Branch1][C][C][=C][Branch1][C][F][C][N][Branch1][Ring2][C][C][O][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C]
CC(C)C(OC(=O)N1CCC1(C)C(C)C)C(C)C	[C][C][Branch1][C][C][C][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring2][Branch1][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C]
CC(CCNC(C)C1(C)COC1)C(F)(F)F	[C][C][Branch1][P][C][C][N][C][Branch1][C][C][C][Branch1][C][C][C][O][C][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F]
CC(OC(=O)C12COC(C(F)(F)F)(C1)C2)C1CCC(=O)O1	[C][C][Branch2][Ring1][N][O][C][=Branch1][C][=O][C][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][Branch1][Ring2][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1]
CC(OC(F)F)C(=O)N=S(=O)(C(C)C)C(C)C	[C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=Branch1][C][=O][N][=S][=Branch1][C][=O][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]
CC1=C(C)C(C2=NC(C(F)F)=NS2)=C(C)S1	[C][C][=C][Branch1][C][C][C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][Branch1][C][F][F][=N][S][Ring1][Branch2][=C][Branch1][C][C][S][Ring1][#C]
CC1=C(C)N2N=CC(C=C(F)F)=C2C=N1	[C][C][=C][Branch1][C][C][N][N][=C][C][Branch1][#Branch1][C][=C][Branch1][C][F][F][=C][Ring1][=Branch2][C][=N][Ring1][=C]
CCC(CC(=O)N(C)C1CN(C(=O)C23CC(C)(CCO2)C3)CC1(C)C)SC	[C][C][C][Branch2][Ring2][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][=Branch1][C][C][O][Ring1][#Branch1][C][Ring1][Branch2][C][C][Ring1][#C][Branch1][C][C][C][S][C]
CCC(COC)SCC1C2COCC21	[C][C][C][Branch1][Ring2][C][O][C][S][C][C][C][C][O][C][C][Ring1][Branch1][Ring1][=Branch1]
CCC(O)C(=O)NC1CN(C(=O)C2C3(CC3)C23CC3)C(CC)(CC)C1	[C][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][Branch1][C][C][Ring1][Ring1][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][Ring2][Ring1][C]
CCC(OC(=O)C1[C@@H](C)[C@H]1C)C(F)F	[C][C][C][Branch1][#C][O][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C@H1][Ring1][Ring2][C][C][Branch1][C][F][F]
CC[C@@H](C)N(CC)CC1CC(F)C1	[C][C][C@@H1][Branch1][C][C][N][Branch1][Ring1][C][C][C][C][C][C][Branch1][C][F][C][Ring1][Branch1]
CN(C)C1COCC1N1CCS(=O)CC1	[C][N][Branch1][C][C][C][C][O][C][C][Ring1][Branch1][N][C][C][S][=Branch1][C][=O][C][C][Ring1][#Branch1]
CS(=O)(CCC1CC(O)C1)=NC(=O)C1(N2C=C(Br)N=N2)CC1	[C][S][=Branch1][C][=O][Branch1][N][C][C][C][C][C][Branch1][C][O][C][Ring1][Branch1][=N][C][=Branch1][C][=O][C][Branch1][O][N][C][=C][Branch1][C][Br][N][=N][Ring1][=Branch1][C][C][Ring1][=Branch2]
ClC1=NC(COC2CCCC(N3N=CC=N3)C2)=CO1	[Cl][C][=N][C][Branch2][Ring1][Ring2][C][O][C][C][C][C][C][Branch1][Branch2][N][N][=C][C][=N][Ring1][Branch1][C][Ring1][O][=C][O][Ring2][Ring1][C]
FCC1(NC(CC2CC2)CC2CC2)COC1	[F][C][C][Branch1][P][N][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][C][C][Ring1][Ring1][C][O][C][Ring1][=C]
O=C1[C@H](COC(F)(F)F)NC(=O)[C@]23C[C@H]2CN1C3	[O][=C][C@H1][Branch1][O][C][O][C][Branch1][C][F][Branch1][C][F][F][N][C][=Branch1][C][=O][C@][C][C@H1][Ring1][Ring1][C][N][Ring1][S][C][Ring1][=Branch1]
CCCC(C1=CN=NN1)N1C=C(C2NCC2(C)C)N=N1	[C][C][C][C][Branch1][Branch2][C][=C][N][=N][N][Ring1][Branch1][N][C][=C][Branch1][O][C][N][C][C][Ring1][Ring2][Branch1][C][C][C][N][=N][Ring1][O]
CCC[C@H]1CN(CC)C(N2CCC3(CC2)OCCC3C#N)=N1	[C][C][C][C@H1][C][N][Branch1][Ring1][C][C][C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][Ring1][#Branch1][C][#N][=N][Ring2][Ring1][Ring1]
CC[C@@H](NC1CC(C)(C)CC2=C1C(C)=NN2)C(F)F	[C][C][C@@H1][Branch2][Ring1][Branch2][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][Branch2][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][Branch1][C][F][F]
CC(C)(CCC(F)(F)F)NC1C(C)(C)C(O)C1(C)C	[C][C][Branch1][C][C][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][N][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][O][C][Ring1][#Branch1][Branch1][C][C][C]
CC1(C)CC(C(F)F)CN1C[C@@H]1C[C@H]2CC[C@H]2C1	[C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][F][F][C][N][Ring1][=Branch2][C][C@@H1][C][C@H1][C][C][C@H1][Ring1][Ring2][C][Ring1][#Branch1]
CC1(C)OCC(SC2=NC=NS2)CO1	[C][C][Branch1][C][C][O][C][C][Branch1][=Branch2][S][C][=N][C][=N][S][Ring1][Branch1][C][O][Ring1][=N]
CC1CN(CCC2SCCS2)C(C)C(C)(C)O1	[C][C][C][N][Branch1][#Branch2][C][C][C][S][C][C][S][Ring1][Branch1][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][S]
CCC(CC)CN1C=C(C)N=C1C(C)(C)C	[C][C][C][Branch1][Ring1][C][C][C][N][C][=C][Branch1][C][C][N][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C]
CCC(O)(CC)CN(C)CC1(C)CC2(C1)OCCO2	[C][C][C][Branch1][C][O][Branch1][Ring1][C][C][C][N][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][O][C][C][O][Ring1][=Branch1]
CCS(=O)(=NC(=O)C1CC2(C1)CC21CC1)C(C)C	[C][C][S][=Branch1][C][=O][=Branch2][Ring1][=Branch1][=N][C][=Branch1][C][=O][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Ring1][Ring2][C][C][Ring1][Ring1][C][Branch1][C][C][C]
CN(C)CC1CCN(CC(F)C2CCC2)C1(C)C	[C][N][Branch1][C][C][C][C][C][C][N][Branch1][N][C][C][Branch1][C][F][C][C][C][C][Ring1][Ring2][C][Ring1][N][Branch1][C][C][C]

CC1(C)OC(C(=O)N=S(C)(=O)C23CC(C2)C3)C(C)(C)O1

[C][C][Branch1][C][C][O][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][=S][Branch1][C][C][=Branch1][C][=O][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][Ring1]

CC1N(CC2CC3CCC(C2)O3)CCC12CNC2

[C][C][N][Branch1][S][C][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][O][Ring1][=Branch1][C][C][C][Ring1][=C][C][N][C][Ring1][Ring2]

CCC(CN[C@H](CN(C)C)C(C)(C)C)CC(F)F

[C][C][C][Branch2][Ring1][Ring2][C][N][C@H1][Branch1][#Branch1][C][N][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][F][F]

CC[C@H](COC(F)(F)F)NC1C2CNCC1CC(F)(F)C2

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

CN1N=C(Cl)C(C2=CC=CC3=C2CC=C3)=N1

[C][N][N][=C][Branch1][C][Cl][C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][Branch1][=N][Ring1][#C]

CSCC1(CN2CC(N(C)C)C(C)(C)C2)CC(F)(F)C1

[C][S][C][C][Branch2][Ring1][=Branch1][C][N][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][P]

C[C@@H]1[C@H]2CN(C3=NCC(C)(C)N3C)C[C@@H]12.I

[C][C@@H1][C@H1][C][N][Branch1][#C][C][=N][C][C][Branch1][C][C][Branch1][C][C][N][Ring1][#Branch1][C][C][C@@H1][Ring1][=C][Ring1][=N].[I]

NCC[C@H](OC(F)F)C(=O)NC12CC(CC(F)F)(C1)C2

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

N[C@H]1C[C@H](CN2C[C@H]3OC[C@@H]2[C@@H]3O)C1

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

O=C(NC1(CCF)CC(O)C1)[C@@H]1C[C@@H]2[C@H](N1)[C@@H]2C(F)(F)F

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

O=C(NC12CCC(C1)N(C(=O)C1(C3CC3)CC1)C2)C(C(F)(F)F)C(F)(F)F

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

CC(C)N1CC(F)(F)C1(C)C

[C][C][Branch1][C][C][N][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][Branch1][C][C][C]

CC1=C(C=C2COC2)CCC1=O

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

CCC(CC)C(C)NC1CNC1(C)C

[C][C][C][Branch1][Ring1][C][C][C][Branch1][C][C][N][C][C][N][C][Ring1][Ring2][Branch1][C][C][C]

CS(=O)(C[C@H]1C[C@@H](O)C1)=NC(=O)C1CC(=O)C12CCC(F)(F)CC2

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

CC(C)(CO)CC(O)CNC1(C)CC2(CC(F)(F)C2)C1

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

CC(CCCF)N1CC(F)(F)C[C@@H]1CN(C)C

[C][C][Branch1][Branch1][C][C][C][F][N][C][C][Branch1][C][F][Branch1][C][F][C][C@@H1][Ring1][#Branch1][C][N][Branch1][C][C][C]

CC1(C2=CC=C(C3=CCSC3)S2)CCO1

[C][C][Branch1][P][C][=C][C][=C][Branch1][Branch2][C][=C][C][S][C][Ring1][Branch1][S][Ring1][#Branch2][C][C][O][Ring1][=C]

CC1CN(CC23CC(S(C)(=O)=O)(CO2)C3)C1C

[C][C][C][N][Branch2][Ring1][Branch2][C][C][C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][Branch1][Branch1][C][O][Ring1][=Branch2][C][Ring1][#Branch2][C][Ring1][#C][C]

CCC(C#N)CSCC1CC12CCC2

[C][C][C][Branch1][Ring1][C][#N][C][S][C][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring2]

CCC(CC)SCC12CC(C1)C(C)(C)O2

[C][C][C][Branch1][Ring1][C][C][S][C][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2]

COC1(CF)CN(C(C)C(C)(C)O)C1

[C][O][C][Branch1][Ring1][C][F][C][N][Branch1][=N][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][N]

COCC=CC1=NN(C)N=C1Cl

[C][O][C][C][=C][C][=N][N][Branch1][C][C][N][=C][Ring1][=Branch1][Cl]

CSC1CN(C(=O)C23CCC(C)(C2)NC3)C(C)(C)C1

[C][S][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Ring2][C][Ring1][=Branch1][N][C][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][Ring1][P]

O=C1CN(S(=O)(=O)CC=CCl)CC2=C1SC(Br)=N2

[O][=C][C][N][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][Cl][C][C][=C][Ring1][=N][S][C][Branch1][C][Br][=N][Ring1][=Branch1]

C=CN1N=CN=C1S(=O)(=O)N1CCCC(F)(F)C12CC2

[C][=C][N][N][=C][N][=C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][Branch2][C][C][Ring1][Ring1]

CC(C)C(CCN(C)C1(C)CC1)C(C)C

[C][C][Branch1][C][C][C][Branch1][#C][C][C][N][Branch1][C][C][C][Branch1][C][C][C][C][Ring1][Ring2][C][Branch1][C][C][C]

CC(C)CC(C)N1CC2(O)CC1C2

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

CC1=C(/C=C/C2CCCC2)SC(F)=N1

[C][C][=C][Branch1][#Branch2][/C][=C][/C][C][C][C][C][Ring1][Branch1][S][C][Branch1][C][F][=N][Ring1][=N]

CC1=C(Br)N(C)C(C)=C1C(=O)N(C)C(C)C1(O)CNC1

[C][C][=C][Branch1][C][Br][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][Branch1][C][O][C][N][C][Ring1][Branch1]

CC1CC(NC23CC(C)(C2)OC3(C)C)CC(C)N1C

[C][C][C][C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][C][C][Branch1][Ring2][C][Ring1][Branch1][O][C][Ring1][#Branch1][Branch1][C][C][C][C][C][Branch1][C][C][N][Ring1][P][C]

CC=CC1=C(C#N)C=C(C(C)C)S1

[C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][S][Ring1][#Branch2]

CCC1(COC(=O)C23CC(CC(C)C)(C2)C3)COC(=O)C1

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

CCC1(CSCC2CC(C(F)(F)F)C2)COC1

[C][C][C][Branch2][Ring1][Ring2][C][S][C][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][Branch2][C][O][C][Ring1][#C]

CCS(=O)(CC)=NS(=O)(=O)N=S1(=O)CC(C#N)C1

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

COC12CC(C1)N(CC(C)(C)CC(F)F)C2

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

CSC(C(=O)N(C)C[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC4(CC4)CN3C)C[C@@H]12)C(C)C

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

FC1CC(CCN2C3COCC2COC3)C1

[F][C][C][C][Branch1][S][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][O][C][Ring1][Branch2][C][Ring1][#C]

FCC(CF)N1CCN2CCC3CC2(C3)C1

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

FCC1(CNC23CCCC(F)(CC2)C3)COC1

[F][C][C][Branch2][Ring1][Ring2][C][N][C][C][C][C][C][Branch1][C][F][Branch1][Branch1][C][C][Ring1][Branch2][C][Ring1][=Branch2][C][O][C][Ring1][#C]

NC1(CCN2CCCC3(N)CC23)CC1

[N][C][Branch1][P][C][C][N][C][C][C][C][Branch1][C][N][C][C][Ring1][Branch2][Ring1][Ring2][C][C][Ring1][=N]

NC1CC(N(CCOC(F)F)C2CC2)C1

[N][C][C][C][Branch1][P][N][Branch1][=Branch2][C][C][O][C][Branch1][C][F][F][C][C][C][Ring1][Ring1][C][Ring1][=C]

O=C(COC1(C(F)(F)F)COC1)OC1CC(CF)C1

[O][=C][Branch2][Ring1][Ring1][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][O][C][Ring1][Branch2][O][C][C][C][Branch1][Ring1][C][F][C][Ring1][=Branch1]

O=C(OC(CF)CF)C12CC(C3CC3)(C1)C2

[O][=C][Branch1][=Branch2][O][C][Branch1][Ring1][C][F][C][F][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][Branch2]

O=C(OC1CC(C(F)F)C1)C1(C(F)(F)F)OC2CCC1CC2

[O][=C][Branch1][#C][O][C][C][C][Branch1][=Branch1][C][Branch1][C][F][F][C][Ring1][#Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][C][C][C][Ring1][#Branch2][C][C][Ring1][=Branch1]

OC(C1=CC=C(C2=CCSC2)C=C1)C(F)F

[O][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=C][C][S][C][Ring1][Branch1][C][=C][Ring1][O][C][Branch1][C][F][F]

OC1(C(F)(F)F)CC2CC1N(CC1=C(Cl)C(Cl)=NS1)C2

[O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][C][C][Ring1][=Branch2][N][Branch1][#C][C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=N][S][Ring1][#Branch1][C][Ring1][=N]

CC(=CCN(C)CCCC(F)(F)F)C1=NNN=N1

[C][C][=Branch2][Ring1][C][=C][C][N][Branch1][C][C][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=N][N][N][=N][Ring1][Branch1]

CC1CC2(C1)CC(N1CCC(=O)N([C@H](C)C(C)(C)C#N)C1=O)C2

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

CC1N=C(NC2(C)CC3(CC(F)(F)C3)C2)N2CCCC12

[C][C][N][=C][Branch2][Ring1][Branch2][N][C][Branch1][C][C][C][C][Branch1][N][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][C][Ring1][#Branch2][N][C][C][C][C][Ring2][Ring1][Ring1][Ring1][Branch1]

CC[C@H]1C(=O)NC(CC2=C(Cl)SC(Cl)=C2Cl)C(=O)N1C

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

NCC1(CSCC2=NN3C=CC=C(F)C3=C2)CC(F)(F)C1

[N][C][C][Branch2][Ring1][Ring2][C][S][C][C][=N][N][C][=C][C][=C][Branch1][C][F][C][Ring1][#Branch1][=C][Ring1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][C][Ring2][Ring1][Ring1]

NCCCN(CCO)C(=O)C12CNC(CO1)C2

[N][C][C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][C][N][C][Branch1][Branch1][C][O][Ring1][=Branch1][C][Ring1][#Branch1]

C=C(CNC)C1=NC=NS1

[C][=C][Branch1][Ring2][C][N][C][C][=N][C][=N][S][Ring1][Branch1]

CC(C)(F)C(C)(C)NS(=O)(=O)C1C(C)(C)C1(C)C

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

CC(C)=C(Br)CN1CC(C)(C)C12CCC2

[C][C][Branch1][C][C][=C][Branch1][C][Br][C][N][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring2]

CC(C)C(N)C(C)NCC12CCC(C#N)(CC1)CC2

[C][C][Branch1][C][C][C][Branch1][C][N][C][Branch1][C][C][N][C][C][C][C][C][Branch1][Ring1][C][#N][Branch1][Branch1][C][C][Ring1][Branch2][C][C][Ring1][#Branch2]

CC(C)S(=O)(=NS(=O)(=O)C1CC1(F)F)C(C)C

[C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch2][Ring1][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][F][F][C][Branch1][C][C][C]

CCCN(CC1CC12CC2(F)F)C(C)(C)C

[C][C][C][N][Branch1][#C][C][C][C][C][Ring1][Ring1][C][C][Ring1][Ring1][Branch1][C][F][F][C][Branch1][C][C][Branch1][C][C][C]

CN(C)[C@@H]1CN(C(CC2CC2)CC2CC2)CC1(F)F

[C][N][Branch1][C][C][C@@H1][C][N][Branch1][S][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][C][C][Ring1][Ring1][C][C][Ring1][=C][Branch1][C][F][F]

CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)C1CC1(F)F

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

CS(=O)CC1(C)CN(CC2(C(F)F)CC2)C1

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

O=C1CCC2(CN(S(=O)(=O)C3(C(F)F)CC3)C2)O1

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

C/C(=C\Br)CNC(C1CC1)C1(O)COC1

[C][/C][=Branch1][Ring1][=C][\Br][C][N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][O][C][O][C][Ring1][Branch1]

CC1(C)OC(C(=O)NCC(F)CNC(=O)C2(F)C(C)(C)C2(C)C)C(C)(C)O1

[C][C][Branch1][C][C][O][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][F][C][N][C][=Branch1][C][=O][C][Branch1][C][F][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch1][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][#Branch2]

COC1(C2(NC(=O)C(C)(C)C3(C)CC3(F)F)CC2)CCC1

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

FC(F)(F)N1C=C(Br)N=C1CN1CCN2C=CC=C2C12CNC2

[F][C][Branch1][C][F][Branch1][C][F][N][C][=C][Branch1][C][Br][N][=C][Ring1][=Branch1][C][N][C][C][N][C][=C][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][N][C][Ring1][Ring2]

FC(F)C1(NCC2=NSC(Br)=C2)CCNCC1

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

N#CC1CC12CCN(CC1(C3CC3)COCCN1)CC2

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

O=C1CCC(C(=O)OCC=CBr)(C(F)(F)F)C1

[O][=C][C][C][C][Branch1][#Branch2][C][=Branch1][C][=O][O][C][C][=C][Br][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][S]

O=S1(=O)CC2CC(C1)N(CC1CSCCO1)C2

[O][=S][=Branch1][C][=O][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Branch1][#Branch2][C][C][C][S][C][C][O][Ring1][=Branch1][C][Ring1][=N]

C=C1CN2C(=NN=C2C2=NC(C3=C(N)C=C(C(C)(C)C)S3)=NO2)S1

[C][=C][C][N][C][=Branch2][Ring2][Ring2][=N][N][=C][Ring1][Branch1][C][=N][C][Branch2][Ring1][Branch1][C][=C][Branch1][C][N][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][#Branch2][=N][O][Ring1][#C][S][Ring2][Ring1][#Branch1]

CC(C)=C(F)CN(CCO)C(C)C(C)(C)C

[C][C][Branch1][C][C][=C][Branch1][C][F][C][N][Branch1][Ring2][C][C][O][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C]

CC(C)C(OC(=O)N1CCC1(C)C(C)C)C(C)C

[C][C][Branch1][C][C][C][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring2][Branch1][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C]

CC(CCNC(C)C1(C)COC1)C(F)(F)F

[C][C][Branch1][P][C][C][N][C][Branch1][C][C][C][Branch1][C][C][C][O][C][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F]

CC(OC(=O)C12COC(C(F)(F)F)(C1)C2)C1CCC(=O)O1

[C][C][Branch2][Ring1][N][O][C][=Branch1][C][=O][C][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][Branch1][Ring2][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1]

CC(OC(F)F)C(=O)N=S(=O)(C(C)C)C(C)C

[C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=Branch1][C][=O][N][=S][=Branch1][C][=O][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]

CC1=C(C)C(C2=NC(C(F)F)=NS2)=C(C)S1

[C][C][=C][Branch1][C][C][C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][Branch1][C][F][F][=N][S][Ring1][Branch2][=C][Branch1][C][C][S][Ring1][#C]

CC1=C(C)N2N=CC(C=C(F)F)=C2C=N1

[C][C][=C][Branch1][C][C][N][N][=C][C][Branch1][#Branch1][C][=C][Branch1][C][F][F][=C][Ring1][=Branch2][C][=N][Ring1][=C]

CCC(CC(=O)N(C)C1CN(C(=O)C23CC(C)(CCO2)C3)CC1(C)C)SC

[C][C][C][Branch2][Ring2][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][=Branch1][C][C][O][Ring1][#Branch1][C][Ring1][Branch2][C][C][Ring1][#C][Branch1][C][C][C][S][C]

CCC(COC)SCC1C2COCC21

[C][C][C][Branch1][Ring2][C][O][C][S][C][C][C][C][O][C][C][Ring1][Branch1][Ring1][=Branch1]

CCC(O)C(=O)NC1CN(C(=O)C2C3(CC3)C23CC3)C(CC)(CC)C1

[C][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][Branch1][C][C][Ring1][Ring1][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][Ring2][Ring1][C]

CCC(OC(=O)C1[C@@H](C)[C@H]1C)C(F)F

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

CC[C@@H](C)N(CC)CC1CC(F)C1

[C][C][C@@H1][Branch1][C][C][N][Branch1][Ring1][C][C][C][C][C][C][Branch1][C][F][C][Ring1][Branch1]

CN(C)C1COCC1N1CCS(=O)CC1

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

CS(=O)(CCC1CC(O)C1)=NC(=O)C1(N2C=C(Br)N=N2)CC1

[C][S][=Branch1][C][=O][Branch1][N][C][C][C][C][C][Branch1][C][O][C][Ring1][Branch1][=N][C][=Branch1][C][=O][C][Branch1][O][N][C][=C][Branch1][C][Br][N][=N][Ring1][=Branch1][C][C][Ring1][=Branch2]

ClC1=NC(COC2CCCC(N3N=CC=N3)C2)=CO1

[Cl][C][=N][C][Branch2][Ring1][Ring2][C][O][C][C][C][C][C][Branch1][Branch2][N][N][=C][C][=N][Ring1][Branch1][C][Ring1][O][=C][O][Ring2][Ring1][C]

FCC1(NC(CC2CC2)CC2CC2)COC1

[F][C][C][Branch1][P][N][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][C][C][Ring1][Ring1][C][O][C][Ring1][=C]

O=C1[C@H](COC(F)(F)F)NC(=O)[C@]23C[C@H]2CN1C3

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

CCCC(C1=CN=NN1)N1C=C(C2NCC2(C)C)N=N1

[C][C][C][C][Branch1][Branch2][C][=C][N][=N][N][Ring1][Branch1][N][C][=C][Branch1][O][C][N][C][C][Ring1][Ring2][Branch1][C][C][C][N][=N][Ring1][O]

CCC[C@H]1CN(CC)C(N2CCC3(CC2)OCCC3C#N)=N1

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

CC[C@@H](NC1CC(C)(C)CC2=C1C(C)=NN2)C(F)F

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

CC(C)(CCC(F)(F)F)NC1C(C)(C)C(O)C1(C)C

[C][C][Branch1][C][C][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][N][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][O][C][Ring1][#Branch1][Branch1][C][C][C]

CC1(C)CC(C(F)F)CN1C[C@@H]1C[C@H]2CC[C@H]2C1

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

CC1(C)OCC(SC2=NC=NS2)CO1

[C][C][Branch1][C][C][O][C][C][Branch1][=Branch2][S][C][=N][C][=N][S][Ring1][Branch1][C][O][Ring1][=N]

CC1CN(CCC2SCCS2)C(C)C(C)(C)O1

[C][C][C][N][Branch1][#Branch2][C][C][C][S][C][C][S][Ring1][Branch1][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][S]

CCC(CC)CN1C=C(C)N=C1C(C)(C)C

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

CCC(O)(CC)CN(C)CC1(C)CC2(C1)OCCO2

[C][C][C][Branch1][C][O][Branch1][Ring1][C][C][C][N][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][O][C][C][O][Ring1][=Branch1]

CCS(=O)(=NC(=O)C1CC2(C1)CC21CC1)C(C)C

[C][C][S][=Branch1][C][=O][=Branch2][Ring1][=Branch1][=N][C][=Branch1][C][=O][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Ring1][Ring2][C][C][Ring1][Ring1][C][Branch1][C][C][C]

CN(C)CC1CCN(CC(F)C2CCC2)C1(C)C

[C][N][Branch1][C][C][C][C][C][C][N][Branch1][N][C][C][Branch1][C][F][C][C][C][C][Ring1][Ring2][C][Ring1][N][Branch1][C][C][C]