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158 SMILES Strings for Beta-ketoacyl-ACP synthase III (FabH)

Compound NameSMILES String
BDBM16430 OC(=O)\C=C\c1ccccc1
BDBM68274 CCCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12
BDBM68275 CSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12
BDBM68276 CCC(C)SSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12
BDBM68277 CCCCCCCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12
BDBM68278 CCCCCCCCCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12
BDBM50134358 CC1C(=O)SC(C)(Cc2ccc(C)cc2)C1=O
BDBM50134359 COc1ccc(CC2(C)SC(=O)C(C)C2=O)cc1
BDBM50134346 COc1cccc(CC2(C)SC(=O)C(C)C2=O)c1
BDBM50134355 CC1C(=O)SC(C)(Cc2ccc(cc2)C(C)(C)C)C1=O
BDBM50173503 CCCCCCCCCCC1(C)SC(=O)C(C)C1=O
BDBM50173516 [#6]-[#6]-1-[#6](=O)-[#16]C([#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6]-1=O
BDBM50173517 CCCCCCCCC1(C)SC(=O)C(C)C1=O
BDBM50180123 CC(C)CCC1(C)SC(=O)C(C)C1=O
BDBM50180124 COc1ccccc1CC1(C)SC(=O)C(C)C1=O
BDBM50180125 CC1C(=O)SC(C)(Cc2ccccc2C)C1=O
BDBM50180114 [#6]-[#6]-1-[#6](=O)-[#16]C([#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6]-1=O
BDBM50180127 CCCCCCCCCCCCCCC1(C)SC(=O)C(C)C1=O
BDBM50180122 CCCCCCCCCCC(C)C1(C)SC(=O)C(C)C1=O
BDBM50180129 CCCCCCCCC(C)C1(C)SC(=O)C(C)C1=O
BDBM50180130 CCCCCCCCCCCCCC1(C)SC(=O)C(C)C1=O
BDBM50180131 CC1C(=O)SC(C)(Cc2cccc(Cl)c2)C1=O
BDBM50180133 CC1C(=O)SC(C)(CC2CCC2)C1=O
BDBM50180137 CC1C(=O)SC(C)(CCCCCCC=C)C1=O
BDBM50180139 CC(c1ccccc1)C1(C)SC(=O)C(C)C1=O
BDBM50180141 CCCCCCCCCCCCC1(C)SC(=O)C(C)C1=O
BDBM50180099 CC1C(=O)SC(C)(Cc2cccc(c2)C(F)(F)F)C1=O
BDBM50180100 CC1C(=O)SC(C)(CCc2ccccc2)C1=O
BDBM50180101 COc1cc(CC2(C)SC(=O)C(C)C2=O)cc(OC)c1
BDBM50180102 CC1C(=O)SC(C)(Cc2ccccc2Cl)C1=O
BDBM50180103 CCCCCCCC1(C)SC(=O)C(C)C1=O
BDBM50180104 CCCCCCCCCCCC1(C)SC(=O)C(C)C1=O
BDBM50180105 CC1C(=O)SC(C)(Cc2ccc3ccccc3c2)C1=O
BDBM50180106 CC1C(=O)SC(C)(Cc2c(Cl)cccc2Cl)C1=O
BDBM50180107 CC1C(=O)SC(C)(Cc2c(C)cc(C)cc2C)C1=O
BDBM50180108 CC1C(=O)SC(C)(Cc2ccc(Cl)cc2)C1=O
BDBM50180109 CC1C(=O)SC(C)(CCC=C)C1=O
BDBM50180110 CCCCCC(C)C1(C)SC(=O)C(C)C1=O
BDBM50180111 CC[C@H](C)CC1(C)SC(=O)C(C)C1=O
BDBM50180112 CC1C(=O)SC(C)(Cc2cc(C)ccc2C)C1=O
BDBM50180113 CC1C(=O)SC(C)(CCCc2ccccc2)C1=O
BDBM50180115 CC1C(=O)SC(C)(Cc2ccc(cc2)[N+]([O-])=O)C1=O
BDBM50180116 CCCCCCCCCC1(C)SC(=O)C(C)C1=O
BDBM50180117 CC1C(=O)SC(C)(Cc2cccc(C)c2)C1=O
BDBM50180118 CC\C=C\CC1(C)SC(=O)C(C)C1=O
BDBM50180119 CC1C(=O)SC(C)(CC2CCCCC2)C1=O
BDBM50180120 CC1C(=O)SC(C)(Cc2ccc(F)cc2)C1=O
BDBM50180121 CCCCC(CC)CC1(C)SC(=O)C(C)C1=O
BDBM50180142 CC1C(=O)SC(C)(Cc2ccc(Cl)c(Cl)c2)C1=O
BDBM50180143 CC1C(=O)SC(C)(CC2CC2)C1=O
BDBM50201520 S=C1SCCN1Cc1cccnc1
BDBM50201521 O=C1N(Cc2ccccc2)CCS1(=O)=O
BDBM50201522 O=C1SCCN1Cc1ccc(Oc2ccccc2)cc1
BDBM50201523 CCCN1CCSC1=S
BDBM50201524 O=C1N(CCc2ccccc2)CCS1(=O)=O
BDBM50201525 O=C1N(Cc2ccc(Oc3ccccc3)cc2)CCS1(=O)=O
BDBM50201526 CN1CCS(=O)(=O)C1=O
BDBM50201527 O=C1SCCN1Cc1cccnc1
BDBM50201528 O=C1SCCN1Cc1ccc(Oc2ccc(cc2)C2CCCC2)cc1
BDBM50201529 S=C1SCCN1CCc1ccccc1
BDBM50201530 CN1CCSC1=S
BDBM50201531 O=C1N(Cc2ccc(Oc3ccc(cc3)C3CCCC3)cc2)CCS1(=O)=O
BDBM50201532 O=C1SCCN1Cc1ccccc1
BDBM50201533 S=C1SCCN1Cc1ccc(Oc2ccc(cc2)C2CCCC2)cc1
BDBM50201534 S=C1SCCN1Cc1ccc(Oc2ccccc2)cc1
BDBM50201518 CCCN1CCS(=O)(=O)C1=O
BDBM50201519 S=C1SCCN1Cc1ccccc1
BDBM50241313 CC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r|
BDBM50276635 CC1CN(C(=S)NC1=O)c1ccc(O)c(c1)C(O)=O
BDBM50276636 CC(C)(CC(O)=O)CC(=O)NCCN1CCNC1=O
BDBM50276578 CC(N=Nc1nc(C)cs1)c1cccc(O)c1 |w:2.1|
BDBM50276579 OC(=O)c1cc(NC(=O)c2ccccc2[N+]([O-])=O)ccc1O
BDBM50276580 Oc1ccc(\C=N\C2CCCCC2)c(O)c1
BDBM50276687 COc1ccc2C(OC(=O)c2c1OC)C(C)C(=O)c1ccc(O)c(O)c1
BDBM50276688 Cn1ncc2c(Nc3ccccc3)nc(NCCCO)nc12
BDBM50276689 Cc1nnc2SC(Nn2c1=O)SCC=C
BDBM50299687 Oc1c(Cl)cc(Cl)cc1CN=Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1 |w:10.10|
BDBM50299688 Oc1ccc(Cl)cc1CN=Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1 |w:9.9|
BDBM50299689 Oc1ccc(Br)cc1CN=Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1 |w:9.9|
BDBM50299690 Oc1c(Cl)cc(Cl)cc1CN=Nc1nc(cs1)-c1ccc(Cl)cc1 |w:10.10|
BDBM50299691 Oc1c(Br)cc(Br)cc1CN=Nc1nc(cs1)-c1ccc(Cl)cc1 |w:10.10|
BDBM50299692 Oc1c(Br)cc(Br)cc1CN=Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1 |w:10.10|
BDBM50299693 Oc1ccc(Br)cc1CN=Nc1nc(cs1)-c1ccc(Cl)cc1 |w:9.9|
BDBM50299694 Oc1ccc(Cl)cc1CN=Nc1nc(cs1)-c1ccc(Cl)cc1 |w:9.9|
BDBM50323063 COc1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)C(C)=O |t:9|
BDBM50323064 COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(C)=O |t:9|
BDBM50323065 COc1ccc(cc1)C1=NN(C(C1)c1ccc(Br)cc1)C(C)=O |t:9|
BDBM50323066 COc1ccc(cc1)C1=NN(C(C1)c1ccc(C)cc1)C(C)=O |t:9|
BDBM50323067 COc1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(OC)cc1 |c:11|
BDBM50323068 COc1ccc(cc1)C1=NN(C(C1)c1ccccc1Cl)C(C)=O |t:9|
BDBM50323069 COc1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(C)=O |t:9|
BDBM50349537 Nc1ccn([C@H]2CC[C@@H](COP(O)(O)=O)O2)c(=O)n1 |r|
BDBM50349312 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccccc1
BDBM50349313 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccccc1F
BDBM50349314 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccccc1Cl
BDBM50349315 COc1ccccc1\C=C\C(=O)OC(C)Cn1c(C)ncc1[N+]([O-])=O
BDBM50349316 COc1cccc(\C=C\C(=O)OC(C)Cn2c(C)ncc2[N+]([O-])=O)c1
BDBM50349317 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(F)cc1
BDBM50349318 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(C)cc1
BDBM50349319 COc1ccc(\C=C\C(=O)OC(C)Cn2c(C)ncc2[N+]([O-])=O)cc1
BDBM50349320 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc2ccccc2c1
BDBM50349321 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1cccs1
BDBM50349322 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccccc1Br
BDBM50349323 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1cccc(Br)c1
BDBM50349324 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(Cl)cc1
BDBM50349325 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(Br)cc1
BDBM50349326 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(cc1)-c1ccccc1
BDBM50349327 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(OCc2ccccc2)cc1
BDBM50349328 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(cc1)N(C)C
BDBM50349329 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1cccc2ccccc12
BDBM50349330 CC(O)Cn1c(C)ncc1[N+]([O-])=O
BDBM50349521 Oc1ccc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccccc1F
BDBM50349522 Oc1ccc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccc(F)cc1
BDBM50349523 Oc1ccc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccccc1Cl
BDBM50349524 Oc1ccc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccc(Cl)cc1
BDBM50349525 Oc1ccc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccccc1Br
BDBM50349526 Oc1ccc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccc(Br)cc1
BDBM50349527 Cc1ccc(cc1)N(Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1
BDBM50349528 COc1ccc(cc1)N(Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1
BDBM50349529 Oc1c(Br)cc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccccc1F
BDBM50349530 Oc1c(Br)cc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccc(F)cc1
BDBM50349531 Oc1c(Br)cc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccccc1Cl
BDBM50349532 Oc1c(Br)cc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccc(Cl)cc1
BDBM50349533 Oc1c(Br)cc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccccc1Br
BDBM50349534 Oc1c(Br)cc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccc(Br)cc1
BDBM50349535 Cc1ccc(cc1)N(Cc1cc(Br)cc(Br)c1O)C(=O)Nc1ccccc1
BDBM50349536 COc1ccc(cc1)N(Cc1cc(Br)cc(Br)c1O)C(=O)Nc1ccccc1
BDBM50349507 CCOC(=O)C(C=Nc1ccc(Br)cc1)c1ccc(OCc2ccccc2)cc1 |w:7.7|
BDBM50349508 CCOC(=O)C(C=Nc1ccc(C)cc1)c1ccc(OCc2ccccc2)cc1 |w:7.7|
BDBM50349509 CCOC(=O)C(C=Nc1ccc(Br)cc1Br)c1ccc(OCc2ccccc2)cc1 |w:7.7|
BDBM50349510 CCOC(=O)C(C=Nc1ccccc1Cl)c1ccc(OCc2ccccc2)cc1 |w:7.7|
BDBM50349511 CCOC(=O)C(C=Nc1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1 |w:7.7|
BDBM50349513 CCOC(=O)C(C=Nc1ccc(cc1)C(C)C)c1ccc(OCc2ccccc2)cc1 |w:7.7|
BDBM50349331 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(Cl)cc1Cl
BDBM50349332 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1cccc(F)c1
BDBM50368267 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O |r|
BDBM50445026 Clc1ccc(C=Nn2c(n[nH]c2=S)-c2cnccn2)c(Cl)c1 |w:6.6|
BDBM50445027 Clc1ccc(C=Nn2c(n[nH]c2=S)-c2cnccn2)cc1 |w:6.6|
BDBM50445028 Oc1ccccc1C=Nn1c(n[nH]c1=S)-c1cnccn1 |w:8.9|
BDBM50445029 Oc1cccc(C=Nn2c(n[nH]c2=S)-c2cnccn2)c1 |w:7.7|
BDBM50445030 COc1ccc(C=Nn2c(n[nH]c2=S)-c2cnccn2)cc1OC |w:7.7|
BDBM50445031 Oc1ccc(C=Nn2c(n[nH]c2=S)-c2cnccn2)cc1 |w:6.6|
BDBM50445032 Cc1ccc(C=Nn2c(n[nH]c2=S)-c2cnccn2)cc1 |w:6.6|
BDBM50445033 Oc1ccc(C=Nn2c(n[nH]c2=S)-c2cnccn2)cc1O |w:6.6|
BDBM50445034 COc1ccccc1C=Nn1c(n[nH]c1=S)-c1cnccn1 |w:9.10|
BDBM50445035 COc1cc(C=Nn2c(n[nH]c2=S)-c2cnccn2)cc(OC)c1OC |w:6.6|
BDBM50445036 COc1cc(OC)c(C=Nn2c(n[nH]c2=S)-c2cnccn2)cc1OC |w:9.9|
BDBM50031295 Cc1ncc(n1CCOc1cccc(\C=N\Nc2nc(cs2)-c2ccc(cc2)C(F)(F)F)c1)[N+]([O-])=O
BDBM50031304 Cc1ncc(n1CCOc1cccc(\C=N\Nc2nc(cs2)-c2ccccc2)c1)[N+]([O-])=O
BDBM50031282 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50031287 Cc1ncc(n1CCOc1ccc(\C=N\Nc2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1)[N+]([O-])=O
BDBM50031288 Cc1ncc(n1CCOc1ccc(\C=N\Nc2nc(cs2)-c2ccc(Br)cc2)cc1)[N+]([O-])=O
BDBM50031293 Cc1ncc(n1CCOc1cccc(\C=N\Nc2nc(cs2)-c2ccc(Br)cc2)c1)[N+]([O-])=O
BDBM50031298 Cc1ncc(n1CCOc1ccc(\C=N\Nc2nc(cs2)-c2ccccc2Br)cc1)[N+]([O-])=O
BDBM50031300 Cc1ncc(n1CCOc1ccc(\C=N\Nc2nc(cs2)-c2ccccc2)cc1)[N+]([O-])=O
BDBM50031302 COc1ccc(cc1)-c1csc(N\N=C\c2cccc(OCCn3c(C)ncc3[N+]([O-])=O)c2)n1
BDBM50031303 Cc1ncc(n1CCOc1cccc(\C=N\Nc2nc(cs2)-c2ccccc2Br)c1)[N+]([O-])=O
BDBM50031305 COc1ccc(cc1)-c1csc(N\N=C\c2ccc(OCCn3c(C)ncc3[N+]([O-])=O)cc2)n1