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71 SMILES Strings for Aldehyde dehydrogenase 1A1 (ALDH1A1)

Compound NameSMILES String
BDBM22841 O=C1N(CN2CCOCC2)c2ccccc2C1=O
BDBM22794 O=C1N(Cc2ccccc2)c2ccccc2C1=O
BDBM30972 CC(C)CCn1c(CN2CCN(CC2)C(=O)c2ccco2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM47902 O=C1N(C\C=C\c2ccccc2)c2ccccc2C1=O
BDBM47880 O=C1N(CCCc2ccccc2)c2ccccc2C1=O
BDBM65735 CCCCn1c(CN2CCN(CC2)c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM109226 CC(Nc1ccc(cc1[N+]([O-])=O)S(C)(=O)=O)C(O)=O
BDBM109216 CS(=O)(=O)c1ccc(Nc2ccc(NCC3CCCC3)cc2)c(c1)S(C)(=O)=O
BDBM109222 CC(C)C(=O)Nc1ccc(Nc2ccc(cc2[N+]([O-])=O)S(C)(=O)=O)cc1
BDBM109223 CNS(=O)(=O)c1ccc(Nc2ccc(NC(=O)CC(C)C)cc2)c(c1)[N+]([O-])=O
BDBM109224 CCN(CC)S(=O)(=O)c1ccc(Nc2ccc(NC(=O)C(C)C)cc2)c(c1)[N+]([O-])=O
BDBM50133625 Clc1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1
BDBM50272239 CSC(=O)C#CC(C)(C)N
BDBM50448802 Brc1ccc2N(CCc3ccccc3)C(=O)C(=O)c2c1
BDBM50448803 Clc1ccc2N(CCc3ccccc3)C(=O)C(=O)c2c1
BDBM50448804 O=C1N(CCc2ccccc2)c2ccccc2C1=O
BDBM50448805 Brc1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1
BDBM50448806 CCCCCN1C(=O)C(=O)c2ccccc12
BDBM50448790 Cc1cc2C(=O)C(=O)Nc2c(Br)c1
BDBM50448791 O=C1N(CN2CCN(CN3C(=O)C(=O)c4ccccc34)C2)c2ccccc2C1=O
BDBM50448792 Brc1ccc2N(CN3CCN(Cc4ccc5OCOc5c4)CC3)C(=O)C(=O)c2c1
BDBM50448793 O=C1N(CN2CCN(Cc3ccc4OCOc4c3)CC2)c2ccccc2C1=O
BDBM50448794 COc1cccc(CN2CCN(CN3C(=O)C(=O)c4ccccc34)CC2)c1
BDBM50448795 Clc1cccc(CN2CCN(CN3C(=O)C(=O)c4ccccc34)CC2)c1
BDBM50448796 Fc1cccc(CN2CCN(CN3C(=O)C(=O)c4ccccc34)CC2)c1
BDBM50448797 Fc1ccc(CN2CCN(CN3C(=O)C(=O)c4ccccc34)CC2)cc1
BDBM50448798 Fc1ccccc1CN1CCN(CN2C(=O)C(=O)c3ccccc23)CC1
BDBM50448799 O=C1N(CN2CCN(Cc3ccccc3)CC2)c2ccccc2C1=O
BDBM50448800 CN1CCN(CN2C(=O)C(=O)c3ccccc23)CC1
BDBM50448801 Clc1ccc2N(C\C=C\c3ccccc3)C(=O)C(=O)c2c1
BDBM50445534 Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCC(C)(C)C1
BDBM50445554 Cc1cc(c(C)n1-c1cccc(c1)C#N)-c1nnc2CCCCCn12
BDBM50445555 Cc1cc(c(C)n1-c1ccc(C)cc1)-c1nnc2CCCCCn12
BDBM50445557 Cc1cc(c(C)n1-c1cccc(c1)C(F)(F)F)-c1nnc2CCCCCn12
BDBM50445561 Cc1cc(c(C)n1-c1cccc(Cl)c1)-c1nnc2CCCCCn12
BDBM50445562 Cc1cc(c(C)n1-c1ccc(Cl)c(Cl)c1)-c1nnc2CCCCCn12
BDBM50445514 COc1ccc(cc1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
BDBM50445519 FC(F)(F)c1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
BDBM50445521 Clc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
BDBM50076544 CCCCn1c(CN2CCN(CC2)c2ccc(OC)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50076550 CC(C)CCn1c(CN2CCC(CC2)C(N)=O)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50076552 CC(C)CCn1c(CN(C)Cc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50076553 CC(C)CCn1c(CN2CCOCC2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50076555 Cc1cccc(Cn2c(CN3CCN(CC3)C(=O)c3ccco3)nc3n(C)c(=O)n(C)c(=O)c23)c1
BDBM50076556 CCC1CCCCN1Cc1nc2n(C)c(=O)n(C)c(=O)c2n1Cc1cccc(C)c1
BDBM50076670 Cc1ccc(Cn2c(CN3CCN(CC3)c3ccccc3)nc3n(C)c(=O)n(C)c(=O)c23)cc1
BDBM50076690 Cn1c2nc(N3CCOCC3)n(Cc3ccccc3F)c2c(=O)n(C)c1=O
BDBM50076719 CCN1CCN(Cc2nc3n(C)c(=O)n(C)c(=O)c3n2CC(=O)c2ccccc2)CC1
BDBM50076740 Cn1c2nc(CN3CCC(CC3)C(N)=O)n(CCCc3ccccc3)c2c(=O)n(C)c1=O
BDBM50076698 Cn1c2nc(N3CCN(Cc4ccccc4)CC3)n(Cc3cccc(Cl)c3)c2c(=O)n(C)c1=O
BDBM50076741 CCOC(=O)CSc1nc2c3ccccc3sc2c(=O)n1CCCN1CCCC1
BDBM50076742 CCN(CC)c1ccc(C=O)cc1
BDBM50076743 COc1ccc(cc1OC)C(=O)CSC#N
BDBM50076502 CCCCn1c(Oc2ccc(cc2)C(=O)OC)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50076551 CC(C)CCn1c(CN2CCC(C)CC2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50076554 CCN1CCN(Cc2nc3n(C)c(=O)n(C)c(=O)c3n2CCC(C)C)CC1
BDBM50076686 Cn1c2nc(SCC(N)=O)n(Cc3ccccc3F)c2c(=O)n(C)c1=O
BDBM223451 CC(C)C(=O)Nc1ccc(Nc2ccc(cc2[N+](O)=O)S(C)(=O)=O)cc1
BDBM223452 CNS(=O)(=O)c1ccc(Nc2ccc(NC(=O)CC(C)C)cc2)c(c1)[N+](O)=O
BDBM223457 CCCSc1nnc-2c(OC(Nc3ccccc-23)C(=O)c2ccc(OC)cc2)n1
BDBM223458 CCSc1nnc-2c(OC(Nc3ccccc-23)C(=O)c2ccc(OC)cc2)n1
BDBM223459 CCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc12
BDBM223460 CCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccncc2)c2ccccc12
BDBM223461 Cc1ccc(cc1)S(=O)(=O)NC(O)C(=O)c1cccs1
BDBM223462 OC(NC(=O)c1cccnc1)C(=O)c1cccs1
BDBM223463 OC(NC(=O)c1ccncc1)C(=O)c1cccs1
BDBM223464 O=C1Nc2ccccc2C11Oc2ccccc2C2CC(=NN12)c1ccccc1 |c:22|
BDBM223465 CCn1c(cs\c1=N\c1ccccc1)-c1ccc(OC)c(F)c1
BDBM223466 CCCC1C(C#N)=C(NC(C)=C1C(C)=O)SCC(=O)c1ccc(Br)cc1 |c:6,10|
BDBM223467 Cc1cccc(c1)C(=O)CN1CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1Cl
BDBM223472 CC(Nc1ccc(cc1[N+](O)=O)S(C)(=O)=O)C(O)=O