smiles
stringlengths 19
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CC(CO)CNCc1cc(Br)c(Cl)s1 |
CN(CCCN)Cc1cc(Br)c(Cl)s1 |
Cc1sc(CN(C)CCCN)cc1Br |
Cc1sc(CNC(C)CCO)cc1Br |
CN(Cc1cc(Br)c(Cl)s1)C1CNC1 |
Cc1sc(CN(C)C2CNC2)cc1Br |
CNCCN(C)Cc1cc(Br)c(Cl)s1 |
CNCCN(C)Cc1cc(Br)c(C)s1 |
NC1CCN(Cc2cc(Br)c(Cl)s2)C1 |
Cc1sc(CN2CCC(N)C2)cc1Br |
Cc1sc(CNC(C)C(N)=O)cc1Br |
CC(NCc1cc(Br)c(Cl)s1)C(N)=O |
Clc1sc(CN2CCNCC2)cc1Br |
Cc1sc(CN2CCNCC2)cc1Br |
COC(C)CNCc1cc(Br)c(C)s1 |
CC[C@@H](CO)NCc1cc(Br)c(C)s1 |
Cc1sc(CNC2CCOC2)cc1Br |
COCC(C)NCc1cc(Br)c(C)s1 |
OCC1(NCc2cc(Br)c(Br)s2)CC1 |
Cc1sc(CNC2(CO)CC2)cc1Br |
OCC1(NCc2cc(Br)c(Cl)s2)CC1 |
Cc1sc(CNC(C)(C)CO)cc1Br |
CCC(CO)NCc1cc(Br)c(C)s1 |
CC[C@H](CO)NCc1cc(Br)c(C)s1 |
CCC(O)CNCc1cc(Br)c(C)s1 |
CC(NCc1cc(Br)c(Br)s1)C(=O)O |
Cc1sc(CNC(C)C(=O)O)cc1Br |
CC(NCc1cc(Br)c(Cl)s1)C(=O)O |
OCC(O)CNCc1cc(Br)c(Br)s1 |
Cc1sc(CNCC(O)CO)cc1Br |
OCC(O)CNCc1cc(Br)c(Cl)s1 |
OC1CC(NCc2cc(Br)c(Br)s2)C1 |
Cc1sc(CNC2CC(O)C2)cc1Br |
OC1CC(NCc2cc(Br)c(Cl)s2)C1 |
CN(CC(=O)O)Cc1cc(Br)c(Br)s1 |
CN(CC(=O)O)Cc1cc(Br)c(Cl)s1 |
Cc1sc(CN(C)CC(=O)O)cc1Br |
OCC(CO)NCc1cc(Br)c(Br)s1 |
Cc1sc(CNC(CO)CO)cc1Br |
OCC(CO)NCc1cc(Br)c(Cl)s1 |
Cc1sc(CNCC(C)(C)O)cc1Br |
CSCCC(=O)Nc1cc(Br)ccn1 |
CCNS(=O)(=O)c1ccc(Br)c(F)c1 |
Cc1cc(NS(C)(=O)=O)cc(C)c1Br |
Cc1nn(C)cc1Nc1nc(Br)cs1 |
CC1CCN(c2nc(Br)cs2)C1CO |
Cc1nnc(NCc2ccc(Br)o2)s1 |
CSCC(=O)Nc1cc(F)ccc1Br |
Brc1ccc(CNc2nncs2)nc1 |
Brc1cncc(CNc2nncs2)c1 |
CCS(=O)(=O)Nc1cc(F)ccc1Br |
Brc1ccc(CNc2cncnc2)s1 |
C=C(Br)CNC(=O)c1ncccc1Br |
C=C(Cl)CNC(=O)c1ncccc1Br |
Cc1cc(F)c(Br)cc1NS(C)(=O)=O |
COC(C)CNC(=O)c1sccc1Br |
COC(C)CNC(=O)c1csc(Br)c1 |
COC(C)CNC(=O)c1ccc(Br)s1 |
COC(C)CNc1ncc(Cl)cc1Br |
CSCCN(C)c1ncc(C)cc1Br |
Cc1cnc(N2CCSCC2)c(Br)c1 |
Cc1cnc(SCCC(=O)O)c(Br)c1 |
Cc1cnc(NCCS(C)=O)c(Br)c1 |
COC(=O)c1sc(Br)cc1NC(C)=O |
CC1(NCc2ccc(Br)s2)CCNC1 |
CC1(NCc2sccc2Br)CCNC1 |
CC1(NCc2csc(Br)c2)CCNC1 |
CC1(NCc2cc(Br)cs2)CCNC1 |
CCC(Sc1ncncc1Br)C(=O)O |
CCC(Sc1ncc(Br)cn1)C(=O)O |
O=C(Nc1cnns1)c1csc(Br)c1 |
O=C(Nc1cnns1)c1cc(Br)c[nH]1 |
O=C(Nc1cnns1)c1sccc1Br |
O=C(Nc1cnns1)c1ccc(Br)o1 |
O=C(Nc1cnns1)c1ccc(Br)s1 |
CC[C@@H](CO)NC(=O)c1csc(Br)c1 |
CC[C@@H](CO)NC(=O)c1ccc(Br)s1 |
CC[C@@H](CO)NC(=O)c1sccc1Br |
CC[C@@H](CO)NC(C)c1sccc1Br |
CC[C@@H](CO)NC(C)c1ccc(Br)s1 |
CSCCN(C)c1cc(C)c(Br)cn1 |
Cc1cc(NCCS(C)=O)ncc1Br |
Cc1cc(SCCC(=O)O)ncc1Br |
Cc1cc(N2CCSCC2)ncc1Br |
N#Cc1cc(Br)ccc1SCC(=O)O |
NCC1CN(c2ncc(Cl)cc2Br)C1 |
CC(CN)CNc1ncc(Cl)cc1Br |
CC(N)CN(C)c1ncc(Cl)cc1Br |
CCN(CCN)c1ncc(Cl)cc1Br |
O[C@H]1CCN(c2ncc(Cl)cc2Br)C1 |
O[C@@H]1CCN(c2ncc(Cl)cc2Br)C1 |
OCC1CN(c2ncc(Cl)cc2Br)C1 |
CC1(O)CN(c2ncc(Cl)cc2Br)C1 |
OC1CCN(c2ncc(Cl)cc2Br)C1 |
CC(O)CN(C)c1ncc(Cl)cc1Br |
CC(CO)N(C)c1ncc(Cl)cc1Br |
COCCN(C)c1ncc(Cl)cc1Br |
CC(C)(N)CNc1ncc(Cl)cc1Br |
CCN(CCO)c1ncc(Cl)cc1Br |
CN(CC(N)=O)c1ncc(Cl)cc1Br |
Subsets and Splits