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67 SMILES Strings for Multidrug and toxin extrusion protein 1

Compound NameSMILES String
BDBM8961 Nc1c2CCCCc2nc2ccccc12
BDBM13066 OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
BDBM13530 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
BDBM18512 CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
BDBM17638 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
BDBM18207 [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
BDBM23515 OC(=O)c1cccnc1
BDBM23620 OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO
BDBM22889 CNC(NC#N)=NCCSCc1[nH]cnc1C |w:6.6|
BDBM22890 OC(=O)COCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
BDBM22893 CN\C([CH-][N+]([O-])=O)=[NH+]/CCSCc1ccc(CN(C)C)o1
BDBM25759 COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
BDBM24226 COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
BDBM25902 NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl
BDBM29568 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
BDBM36880 Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O
BDBM45440 NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
BDBM66087 Cc1cc(C2CCCCC2)n(O)c(=O)c1
BDBM67690 OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
BDBM82258 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM85330 Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
BDBM50000483 CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4|
BDBM50001859 O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
BDBM50001885 Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
BDBM50005835 CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
BDBM50008935 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O |r|
BDBM50009073 COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
BDBM50010859 CN(C)CCCN1c2ccccc2CCc2ccccc12
BDBM50017662 CCN(CC)CC(=O)Nc1c(C)cccc1C
BDBM50017129 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O |r|
BDBM50016897 Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM50028893 CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C
BDBM50033369 NC12CC3CC(CC(C3)C1)C2 |THB:6:5:2:8.7.9,6:7:4.5.10:2,9:7:4:10.1.2,9:1:4:8.6.7,0:1:4:8.6.7|
BDBM50036754 [#7]\[#6](-[#7])=[#7]/c1nc(-[#6]-[#16]-[#6]-[#6]-[#6](=[#7])-[#7]S([#7])(=O)=O)cs1
BDBM50043280 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C
BDBM50042235 CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|
BDBM50062614 CN(C)CCOC(c1ccccc1)c1ccccc1C
BDBM50104435 CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1
BDBM50112086 Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1
BDBM50121975 COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15|
BDBM50121347 c1nc(cs1)-c1nc2ccccc2[nH]1
BDBM50130293 Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
BDBM50128267 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12 |r|
BDBM50131441 NC1=NCC2N1c1ccccc1Cc1ccccc21 |t:1|
BDBM50151866 Cn1c(NCCN(CCO)CCCc2ccc(cc2)[N+]([O-])=O)cc(=O)n(C)c1=O
BDBM50170723 NC(NC(N)=Nc1ccc(Cl)cc1)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,23.23,5.5|
BDBM50187243 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C |r|
BDBM50216627 CC(N)C12CC3CC(CC(C3)C1)C2 |TLB:10:5:12:9.8.11,10:9:12:6.5.4,THB:4:5:8:12.3.11,4:3:6.5.10:8,1:3:6.5.10:8|
BDBM50228080 CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |r,t:6|
BDBM50229665 [#6]-[#7](-[#6])-[#6](=[#7])\[#7]=[#6](\[#7])-[#7]
BDBM50241107 Clc1ccc2n(C3CCN(CCCn4c5ccccc5[nH]c4=O)CC3)c(=O)[nH]c2c1
BDBM50241342 COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC
BDBM50295557 CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O |r|
BDBM50316126 CC(=O)NS(=O)(=O)c1ccc(N)cc1
BDBM50330860 CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |r,c:23|
BDBM50334150 Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
BDBM50334986 CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:17:16:9.15.10:13.12|
BDBM50344942 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |r|
BDBM50366826 C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |r|
BDBM50366799 COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4 |r|
BDBM50378799 C[C@]12CC(=O)[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO |t:9|
BDBM50403559 CNC(NCCSCc1[nH]cnc1C)=NC#N |w:14.15|
BDBM50424712 [#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1
BDBM50424713 CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1 |r|
BDBM50424715 Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 |r|
BDBM50424716 COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]1N(C)CCc2cc3OCOc3c(OC)c12
BDBM50420191 CCOc1ccc(NC(C)=O)cc1