smiles
stringlengths 19
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O[C@@H]1CN(Cc2cc(Br)cs2)C[C@@H]1O |
O[C@@H]1CN(Cc2ccc(Br)s2)C[C@@H]1O |
O[C@@H]1CN(Cc2sccc2Br)C[C@@H]1O |
O[C@@H]1CN(Cc2csc(Br)c2)C[C@@H]1O |
CC(C)[C@@H](CO)NCc1sccc1Br |
CC(C)[C@@H](CO)NCc1ccc(Br)s1 |
CC(C)C(CO)NCc1sccc1Br |
CC(C)[C@@H](CO)NCc1cc(Br)cs1 |
CC(C)C(CO)NCc1ccc(Br)s1 |
CC(C)[C@@H](CO)NCc1csc(Br)c1 |
CC(C)C(CO)NCc1cc(Br)cs1 |
CC(C)C(CO)NCc1csc(Br)c1 |
CCn1cc(Nc2nc(Br)cs2)cn1 |
CCOC(=O)CN(C)c1nc(Br)cs1 |
COC(=O)C(C)CSc1nc(Br)cs1 |
COC(=O)CC(C)Sc1nc(Br)cs1 |
OC1(C2CC2)CN(c2nc(Br)cs2)C1 |
CC(C)C1(O)CN(c2nc(Br)cs2)C1 |
CCCC1(O)CN(c2nc(Br)cs2)C1 |
Brc1csc(NCCc2c[nH]cn2)n1 |
Brc1csc(NCCc2nnc[nH]2)n1 |
CC(Nc1nc(Br)cs1)c1nn[nH]n1 |
Cc1n[nH]cc1CNc1nc(Br)cs1 |
CN(Cc1sccc1Br)CC(C)(C)O |
CN(Cc1ccc(Br)s1)CC(C)(C)O |
C=C(Br)CN(CC(=O)O)CC(F)(F)F |
Cc1nnc(Sc2nc(Br)cs2)n1C |
CCC1COCCN1c1nc(Br)cs1 |
CN(c1nc(Br)cs1)C1CCOCC1 |
CC1(C)CN(c2nc(Br)cs2)CCO1 |
OCC1CCCN(c2nc(Br)cs2)C1 |
O=S1(=O)CCN(c2nc(Br)cs2)CC1 |
O=C(CNc1nc(Br)cs1)NC1CC1 |
CC(C)NC(=O)CNc1nc(Br)cs1 |
CCCNC(=O)CNc1nc(Br)cs1 |
CCC1CN(c2nc(Br)cs2)CCO1 |
CC(Nc1nc(Br)cs1)C1CCCO1 |
CN(C)C(=O)CN(C)c1nc(Br)cs1 |
CN1CCC(Nc2nc(Br)cs2)CC1 |
COC1CCN(c2nc(Br)cs2)CC1 |
Brc1csc(NCc2cccnc2)n1 |
Brc1csc(NCc2ccncc2)n1 |
Brc1csc(NCc2ccccn2)n1 |
O=S1(=O)CCC(Nc2nc(Br)cs2)C1 |
CCN(CC)CCNc1nc(Br)cs1 |
CCN(CC(C)(C)O)c1nc(Br)cs1 |
Brc1csc(N2CC3CCC(C2)O3)n1 |
CN1CCCN(c2nc(Br)cs2)CC1 |
NC(=O)C1CCCN1c1nc(Br)cs1 |
OC1CCCC1CNc1nc(Br)cs1 |
O=C1CN(c2nc(Br)cs2)CCCN1 |
OC1(CNc2nc(Br)cs2)CCCC1 |
CCC(O)(CC)CNc1nc(Br)cs1 |
CCN1CCN(c2nc(Br)cs2)CC1 |
COCC(Nc1nc(Br)cs1)C(C)C |
CN1CCN(c2nc(Br)cs2)CC1=O |
CC(CS(C)(=O)=O)Nc1nc(Br)cs1 |
COCC1CCN(c2nc(Br)cs2)C1 |
Brc1csc(NCC2CCOCC2)n1 |
CN(C)CCCN(C)c1nc(Br)cs1 |
O=C1CCC(Nc2nc(Br)cs2)CN1 |
CC1C(=O)NCCN1c1nc(Br)cs1 |
OCC1CCN(c2nc(Br)cs2)CC1 |
Cn1nccc1CNc1nc(Br)cs1 |
Cn1ccnc1CNc1nc(Br)cs1 |
CN(C)C1CCN(c2nc(Br)cs2)C1 |
O=C1CCN(c2nc(Br)cs2)CCN1 |
CN(CCNc1nc(Br)cs1)C1CC1 |
Brc1csc(NCCN2CCCC2)n1 |
CC(C)N(C)CCNc1nc(Br)cs1 |
CCC(CC)(CO)Nc1nc(Br)cs1 |
OCC1(Nc2nc(Br)cs2)CCCC1 |
OC1CCCCC1Nc1nc(Br)cs1 |
Cn1cnnc1CNc1nc(Br)cs1 |
O=C1NCCCC1Nc1nc(Br)cs1 |
CCOC(=O)CCNc1nc(Br)cs1 |
Cn1cc(CNc2nc(Br)cs2)cn1 |
CN(C)C(=O)CCNc1nc(Br)cs1 |
Cc1cc(CNc2nc(Br)cs2)on1 |
Cc1noc(CNc2nc(Br)cs2)n1 |
Brc1csc(NCC2CCCOC2)n1 |
Cc1cc(CNc2nc(Br)cs2)no1 |
Brc1csc(NCCC2CCCO2)n1 |
CN(C)C(C)(C)CNc1nc(Br)cs1 |
Brc1csc(NCC2CCCCO2)n1 |
N#CCCN(c1nc(Br)cs1)C1CC1 |
COCC(O)CN(C)c1nc(Br)cs1 |
CCN(CC(C)C#N)c1nc(Br)cs1 |
CCNC(=O)CN(C)c1nc(Br)cs1 |
CC(CCN(C)C)Nc1nc(Br)cs1 |
CCNC(=O)C(C)Nc1nc(Br)cs1 |
Brc1csc(NCCn2ccnc2)n1 |
Brc1csc(NCCn2cccn2)n1 |
COCCN(c1nc(Br)cs1)C1CC1 |
CCN(CC(=O)NC)c1nc(Br)cs1 |
CCCCN(CCO)c1nc(Br)cs1 |
CN(CC1CCCO1)c1nc(Br)cs1 |
CN1CCCC(Nc2nc(Br)cs2)C1 |
Brc1csc(NCC2COCCO2)n1 |
CNCC(C)CNCc1cc(Br)cs1 |