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247 SMILES Strings for Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial

Compound NameSMILES String
BDBM107720 Cn1nc(Cc2ccccc2)c2C[C@H](N)C(=O)N(O)c12 |r|
BDBM107721 Cn1nc2N(O)C(=O)[C@@H](N)Cc2c1Cc1ccccc1 |r|
BDBM107728 Cc1c2C[C@H](N)C(=O)N(O)c2nn1Cc1ccccc1 |r|
BDBM107729 N[C@H]1Cc2nn(Cc3ccccc3)cc2N(O)C1=O |r|
BDBM107730 N[C@H]1Cc2cn(nc2N(O)C1=O)-c1ccccc1 |r|
BDBM107732 NC1Cc2nn(cc2N(O)C1=O)-c1ccccc1
BDBM107733 Cc1c2N(O)C(=O)[C@@H](N)Cc2nn1-c1ccccc1 |r|
BDBM107734 Cn1ncc2C[C@H](N)C(=O)N(O)c12 |r|
BDBM107735 N[C@H]1Cc2cn(nc2N(O)C1=O)C1CCC1 |r|
BDBM107736 CC(C)n1cc2C[C@H](N)C(=O)N(O)c2n1 |r|
BDBM107746 N[C@H]1Cc2cn(Cc3ccccc3)nc2N(O)C1=O |r|
BDBM107747 N[C@H]1Cc2c(cnn2Cc2ccccc2)N(O)C1=O |r|
BDBM107722 N[C@H]1Cc2c(N(O)C1=O)c(nn2Cc1ccccc1)C(F)(F)F |r|
BDBM107723 N[C@H]1Cc2cn(Cc3ccc(OC(F)(F)F)cc3)nc2N(O)C1=O |r|
BDBM107724 N[C@H]1Cc2cn(Cc3cccc4ccccc34)nc2N(O)C1=O |r|
BDBM107725 N[C@H]1Cc2cn(Cc3ccc4ccccc4c3)nc2N(O)C1=O |r|
BDBM107726 COc1ccccc1Cn1cc2C[C@H](N)C(=O)N(O)c2n1 |r|
BDBM107727 COc1cccc(Cn2cc3C[C@H](N)C(=O)N(O)c3n2)c1 |r|
BDBM107731 COc1ccc(Cn2cc3C[C@H](N)C(=O)N(O)c3n2)cc1 |r|
BDBM107737 COc1ccc(Cc2nn(C)c3N(O)C(=O)[C@@H](N)Cc23)cc1 |r|
BDBM107738 COc1cccc(Cc2nn(C)c3N(O)C(=O)[C@@H](N)Cc23)c1 |r|
BDBM107739 CCn1nc2N(O)C(=O)[C@@H](N)Cc2c1Cc1ccccc1 |r|
BDBM107740 CC(C)n1nc2N(O)C(=O)[C@@H](N)Cc2c1Cc1ccccc1 |r|
BDBM107741 Cn1nc2N(O)C(=O)[C@@H](N)Cc2c1Cc1cccc(c1)C(F)(F)F |r|
BDBM107742 Cn1nc2N(O)C(=O)[C@@H](N)Cc2c1Cc1ccccc1C(F)(F)F |r|
BDBM107743 Cn1nc2N(O)C(=O)[C@@H](N)Cc2c1Cc1ccc(cc1)C(F)(F)F |r|
BDBM107744 N[C@H]1Cc2cn(nc2N(O)C1=O)-c1ccccc1C(F)(F)F |r|
BDBM107745 N[C@H]1Cc2cn(nc2N(O)C1=O)-c1ccc(cc1)C(F)(F)F |r|
BDBM107748 N[C@H]1Cc2cn(nc2N(O)C1=O)-c1cccc(c1)C(F)(F)F |r|
BDBM50324539 C[C@H]1COc2c(N3CCN(N)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |r|
BDBM50386292 N[C@H]1Cc2ccccc2N(O)C1=O |r|
BDBM50386293 N[C@H]1Cc2c(cccc2C(F)(F)F)N(O)C1=O |r|
BDBM50386294 N[C@H]1Cc2cc(ccc2N(O)C1=O)C(F)(F)F |r|
BDBM50386295 N[C@H]1Cc2c(F)cccc2N(O)C1=O |r|
BDBM50386296 N[C@H]1Cc2c(Cl)cccc2N(O)C1=O |r|
BDBM50386297 Cc1cccc2N(O)C(=O)[C@@H](N)Cc12 |r|
BDBM50386298 COc1cccc2N(O)C(=O)[C@@H](N)Cc12 |r|
BDBM50386299 N[C@@H]1Cc2ccccc2N(O)C1=O |r|
BDBM50386300 CON1C(=O)[C@@H](N)Cc2ccccc12 |r|
BDBM50386301 CC1(N)Cc2ccccc2N(O)C1=O
BDBM50386302 C[C@@H]1[C@H](N)C(=O)N(O)c2ccccc12 |r|
BDBM50386303 N[C@H]1Cc2cccc(F)c2N(O)C1=O |r|
BDBM50386304 COc1cccc2C[C@H](N)C(=O)N(O)c12 |r|
BDBM50386305 N[C@H]1Cc2cccc(Cl)c2N(O)C1=O |r|
BDBM50386306 Cc1cccc2C[C@H](N)C(=O)N(O)c12 |r|
BDBM50386307 N[C@H]1Cc2cccc(c2N(O)C1=O)C(F)(F)F |r|
BDBM50386308 N[C@H]1Cc2ccc(Cl)cc2N(O)C1=O |r|
BDBM50386309 Cc1ccc2C[C@H](N)C(=O)N(O)c2c1 |r|
BDBM50386310 COc1ccc2C[C@H](N)C(=O)N(O)c2c1 |r|
BDBM50386311 N[C@H]1Cc2cc(Cl)ccc2N(O)C1=O |r|
BDBM50386312 Cc1ccc2N(O)C(=O)[C@@H](N)Cc2c1 |r|
BDBM50386313 N[C@H]1Cc2ccccc2NC1=O |r|
BDBM50416560 C[C@@H]1COc2c(N3CCN(N)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |r|
BDBM50426340 COc1cc2N(O)C(=O)[C@@H](N)Cc2cc1Oc1ccccc1 |r|
BDBM50426341 N[C@H]1Cc2cc(Oc3ccccc3)ccc2N(O)C1=O |r|
BDBM50432208 COc1cc2N(O)C(=O)[C@@H](N)Cc2cc1Cc1ccccc1 |r|
BDBM50432200 N[C@H]1Cc2nn(cc2N(O)C1=O)-c1ccccc1 |r|
BDBM142233 Cn1nc2N(O)C(=O)[C@H](N)Cc2c1Cc1ccccc1
BDBM273087 FC(F)(F)c1nc2sc(nc2c(=O)n1N1CCCC1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273088 FC(F)(F)c1nc2sc(nc2c(=O)n1N1CCOCC1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273089 FC(F)c1nc2sc(nc2c(=O)n1CC1CCOCC1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273090 COCc1nc2sc(nc2c(=O)n1C1CC1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273091 Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C1CCOCC1 |r|
BDBM273092 CN1CCC(CC1)n1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)F |r|
BDBM273192 CCc1cc2sc(nn2c(=O)c1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273193 CCc1c(Cl)c2sc(nn2c(=O)c1Cl)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273194 CCc1nc2ccc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273195 Cc1nc2ccc(nc2c(=O)n1CC(F)(F)F)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273196 Cn1c(nc2ccc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)F |r|
BDBM273197 ClC1(CC1)c1nc2ccc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273198 CC(C)c1nc2ccc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273094 C[C@@H](NC(=O)[C@H]1CCCN1c1nc2c(nc(n(C)c2=O)C(C)(F)F)s1)c1ccccc1 |r|
BDBM273095 Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C1(F)CC1 |r|
BDBM273096 Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)c1ccccn1 |r|
BDBM273097 Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)F |r|
BDBM273098 CN(C)CCCn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)F |r|
BDBM273199 Fc1ccccc1-c1nc2ccc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273200 O=C(NCc1ccccc1)[C@H]1CCCN1c1ccc2nc(cc(=O)n2n1)-c1ccccc1 |r|
BDBM273201 CCCc1cc(=O)n2nc(ccc2n1)N1CCC[C@@H]1C(=O)NC1(CC1)c1ccccc1 |r|
BDBM273202 CC(C)c1cc(=O)n2nc(ccc2n1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273203 CC(C)c1nc2ccc(nn2c(=O)c1F)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM274960 O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2c(nc([nH]c2=O)N2CCCCC2)s1 |r|
BDBM273099 Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)-c1ncccc1F |r|
BDBM273100 CCn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)N[C@H](C1CC1)c1ccccc1)C(F)F |r|
BDBM273101 CCn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)N[C@H](COC)c1ccccc1)C(F)F |r|
BDBM273102 CCn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)N[C@@H](c1ccccc1)C(F)(F)F)C(F)F |r|
BDBM273103 CCn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccc2OCOc2c1)C(F)F |r|
BDBM273104 CCn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccco1)C(F)F |r|
BDBM273105 CCn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1cccs1)C(F)F |r|
BDBM273106 CCn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1cc(C)on1)C(F)F |r|
BDBM273107 CCn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1cc(C)nn1C)C(F)F |r|
BDBM273108 CCn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1nccs1)C(F)F |r|
BDBM273109 COC1CN(Cc2nc3sc(nc3c(=O)n2C)N2CCC[C@@H]2C(=O)NCc2ccccc2)C1 |r|
BDBM273110 Cn1c(CN2CCOCC2)nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273111 CN(C)Cc1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273112 Cn1c(CN2Cc3ccccc3C2)nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273113 CN(Cc1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)NCc1ccccc1)CC(F)(F)F |r|
BDBM273114 CN(C)c1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273115 Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)N1CCCCC1 |r|
BDBM273116 Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)N1CCOCC1 |r|
BDBM273117 CC(C)Nc1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273118 Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)-c1ccccc1F |r|
BDBM273013 CC(C)n1c(nc2sc(nc2c1=O)[C@H]1CCCN1C(=O)NCc1ccccc1Cl)C(F)(F)F |r|
BDBM273014 CCc1nc2sc(nc2c(=O)n1C)[C@H]1CCCN1C(=O)NC1(CC1)c1ccccc1 |r|
BDBM273015 CCc1nc2sc(nc2c(=O)n1C)[C@H]1CCCN1C(=O)N[C@@H]1CCc2ccccc12 |r|
BDBM273016 CCc1nc2sc(nc2c(=O)n1C)[C@H]1CCCN1C(=O)CN1CCCc2ccccc12 |r|
BDBM273120 CNCCn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)F |r|
BDBM273121 CN1CCC(Cn2c(nc3sc(nc3c2=O)N2CCC[C@@H]2C(=O)NCc2ccccc2)C(F)(F)F)CC1 |r|
BDBM273122 CN(C)CCn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)F |r|
BDBM273123 CN(CCn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)F)CC(F)(F)F |r|
BDBM273017 CCc1nc2sc(nc2c(=O)n1C)[C@H]1CCCN1C(=O)NC(C)(C)c1ccccc1 |r|
BDBM273018 CCc1nc2sc(nc2c(=O)n1C)[C@H]1CCCN1C(=O)N[C@H](C)c1ccccc1 |r|
BDBM273019 Cc1noc(n1)-c1nc2sc(nc2c(=O)n1C)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
BDBM273020 CCc1nc2sc(nc2c(=O)n1C)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
BDBM273021 Cc1nc2sc(nc2c(=O)n1C1CCOCC1)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
BDBM273022 Cc1cccc(OC(=O)N2CCC[C@@H]2c2nc3c(nc(C4CCOCC4)n(C)c3=O)s2)c1 |r|
BDBM273023 CC(C)c1nc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
BDBM273124 C[C@@H](N(C)C)c1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273125 OCCn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)F |r|
BDBM273126 CN(C)CCOc1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273127 CC(=O)c1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273128 COc1ccc(Cn2c(nc3sc(nc3c2=O)N2CCC[C@@H]2C(=O)NCc2ccccc2)C(C)(C)F)c(OC)c1 |r|
BDBM273129 CC(C)(F)c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273130 CC(C)c1nc2sc(nc2c(=O)[nH]1)N(C)[C@H](C)C(=O)NCc1ccccc1 |r|
BDBM273024 O=C(Oc1ccccc1)N1CCC[C@@H]1c1nc2c(nc([nH]c2=O)-c2ccccc2)s1 |r|
BDBM273025 Fc1ccc(c(F)c1)-c1nc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
BDBM273026 Cc1ccccc1-c1nc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
BDBM273027 FC1(F)CCC(CC1)c1nc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
BDBM273028 FCC1(CC1)c1nc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
BDBM273029 C[C@@H](N(C)C(=O)Oc1ccccc1)c1nc2c(nc([nH]c2=O)C2(Cl)CC2)s1 |r|
BDBM273030 Cc1cccc(OC(=O)N2CCC[C@@H]2c2nc3c(nc([nH]c3=O)C3(CC3)C#N)s2)c1 |r|
BDBM273131 Fc1ccccc1-c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273132 C[C@@H](NC(=O)[C@H]1CCCN1c1nc2c(nc([nH]c2=O)-c2ccc(F)cc2F)s1)c1ccccc1 |r|
BDBM273133 Cc1ccc(s1)-c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273134 Cc1cc(F)c(s1)-c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273135 FC(F)(c1ccccc1)c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273136 FC(F)(CCS(=O)(=O)c1ccccc1)c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273031 COCC1(CC1)c1nc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
BDBM273032 FC(F)(F)C1(CC1)c1nc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Cc1ccccc1 |r|
BDBM273033 Cc1cccc(CC(=O)N2CCC[C@@H]2c2nc3c(nc([nH]c3=O)C3(CC3)C(F)(F)F)s2)c1 |r|
BDBM273034 CC1(CC1)Oc1nc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
BDBM273035 FC(F)(F)COc1nc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
BDBM273036 CN(C)c1nc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
BDBM273037 O=C(Oc1ccccc1)N1CCC[C@@H]1c1nc2c(nc([nH]c2=O)N2CCCCC2)s1 |r|
BDBM273138 C[C@@H](N(C)c1nc2c(nc([nH]c2=O)-c2ccccc2F)s1)C(=O)NCc1ccccc1 |r|
BDBM273139 FC(F)(F)c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273140 FC(F)c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273141 FC(F)(F)[C@@H]1CCCN1c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273142 FC(F)(F)COc1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273038 CCc1nc2sc(nc2c(=O)n1Cc1ccc(OC)cc1OC)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
BDBM273039 CCc1nc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
BDBM273040 CC1(COC1)c1nc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
BDBM273041 Cc1noc(n1)-c1nc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
BDBM273042 CC(C)(F)c1nc2sc(nc2c(=O)[nH]1)N1CCCN1C(=O)Oc1ccccc1
BDBM273043 Cc1cccc(OC(=O)N2CCCN2c2nc3c(nc([nH]c3=O)C(C)(C)F)s2)c1
BDBM273044 CC(C)(F)c1nc2sc(nc2c(=O)[nH]1)N1CCCN1C(=O)Cc1ccccc1
BDBM273145 COCc1nc2sc(nc2c(=O)n1C1CCOCC1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273146 Cn1c(nc2sc(nc2c1=O)N1CC(F)(F)C[C@@H]1C(=O)NCc1ccccc1)C1CC1 |r|
BDBM273147 Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C1(CC1)C#N |r|
BDBM273148 CCc1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)COc1ccccc1 |r|
BDBM273149 COC1CN(C1)c1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)COc1ccccc1 |r|
BDBM273011 Cn1c(CN2CCOCC2)nc2sc(nc2c1=O)[C@H]1CCCN1C(=O)OCc1ccccc1 |r|
BDBM273012 CCc1nc2sc(nc2c(=O)n1C)[C@H]1CCCN1C(=O)NCc1ccccc1 |r|
BDBM273045 Cc1cccc(CC(=O)N2CCCN2c2nc3c(nc([nH]c3=O)C(C)(C)F)s2)c1
BDBM273046 CC(C)c1nc2sc(nc2c(=O)n1C)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
BDBM273047 Fc1ccccc1-c1cc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
BDBM273048 FC(F)(F)c1cc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
BDBM273049 CC(C)c1cc(=O)n2nc(sc2n1)[C@H]1CCCN1C(=O)Oc1ccc(F)cc1 |r|
BDBM273050 CC(C)c1cc(=O)n2nc(sc2n1)[C@H]1CCCN1C(=O)Cc1ccccc1 |r|
BDBM273051 CC(C)c1cc(=O)n2nc(sc2n1)[C@H]1CCCN1C(=O)Cc1ccc(F)cc1 |r|
BDBM273150 CCc1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)CNc1ccccc1 |r|
BDBM273151 Fc1cccc(F)c1-c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273152 Cc1noc(n1)-c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273153 CN1CCn2c(C1)nc1sc(nc1c2=O)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273154 FC(F)CN1CCn2c(C1)nc1sc(nc1c2=O)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273155 C[C@@H]1CN(C)Cc2nc3sc(nc3c(=O)n12)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273156 CN1CCn2c1nc1sc(nc1c2=O)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273052 CC(C)c1cc(=O)n2nc(sc2n1)[C@H]1CCCN1C(=O)OCc1ccccc1 |r|
BDBM273053 CC(C)c1cc(=O)n2nc(sc2n1)[C@H]1CCCN1C(=O)COc1ccccc1 |r|
BDBM273054 CCc1cc(=O)n2nc(sc2n1)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
BDBM273055 CCc1c(C)nc2sc(nn2c1=O)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
BDBM273056 O=C(Oc1ccccc1)N1CCC[C@@H]1c1nn2c(nc3CCCCc3c2=O)s1 |r|
BDBM273057 CC(C)c1nc2sc(nn2c(=O)c1Cl)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
BDBM273058 Fc1ccc2nc3sc(nn3c(=O)c2c1)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
BDBM273059 CC(C)c1cc(=O)n2nc(sc2n1)[C@H]1CCCN1C(=O)NCc1ccccc1 |r|
BDBM273157 Cn1ccn2c1nc1sc(nc1c2=O)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273158 FC1(F)CCCn2c1nc1sc(nc1c2=O)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273159 CC(C)(O)c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273160 Cn1c(nc2sc(nc2c1=O)N1CC[C@@H](N)[C@@H]1C(=O)NCc1ccccc1)-c1ccccc1 |r|
BDBM273161 CCc1nn(CC)c(=O)c2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273162 CCc1nn(C2CCOCC2)c(=O)c2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273163 CCn1nc(C2CC2)c2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273060 CC(C)c1cc(=O)n2nc(sc2n1)[C@H]1CCCN1C(=O)NCc1ccccc1Cl |r|
BDBM273061 CC(C)c1cc(=O)n2nc(sc2n1)[C@H]1CCCN1C(=O)Nc1ccccc1 |r|
BDBM273062 CC(C)c1cc(=O)n2nc(sc2n1)[C@H]1CCCN1C(=O)CN1CCCc2ccccc12 |r|
BDBM273063 CC(C)c1cc(=O)n2nc(sc2n1)[C@H]1CCCN1C(=O)NC1(CC1)c1ccccc1 |r|
BDBM273064 CC(C)c1cc(=O)n2nc(sc2n1)[C@H]1CCCN1C(=O)N[C@@H]1CCc2ccccc12 |r|
BDBM273065 CC(C)c1cc(=O)n2nc(sc2n1)[C@H]1CCCN1C(=O)N1CCc2ccccc12 |r|
BDBM273066 C[C@@H](NC(=O)N1CCC[C@@H]1c1nn2c(nc(C)c(C)c2=O)s1)c1ccccc1 |r|
BDBM273164 Cc1nn(C2CCCCC2)c(=O)c2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273165 FC(F)(F)c1c[nH]c(=O)c2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273166 Clc1c([nH]c(=O)c2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1)C1CC1 |r|
BDBM273167 Fc1ccccc1-c1[nH]c(=O)c2nc(sc2c1Cl)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273168 CC(C)(F)c1[nH]c(=O)c2nc(sc2c1Cl)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273169 CCOC1(CC1)c1cc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273170 Cn1c(cc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)F |r|
BDBM273067 Cc1nc2sc(nn2c(=O)c1C)[C@H]1CCCN1C(=O)NC(C)(C)c1ccccc1 |r|
BDBM273068 Cc1nc2sc(nn2c(=O)c1C)[C@H]1CCCN1C(=O)Nc1csc2ncccc12 |r|
BDBM273069 CCCc1cc(=O)n2nc(sc2n1)N1CCCN1C(=O)Oc1ccccc1
BDBM273071 CCc1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)NCc1cccc(F)c1 |r|
BDBM273072 Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)F |r|
BDBM273073 COCCn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)F |r|
BDBM273171 CCCc1cc(=O)n2nc(sc2n1)N1CCCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273172 Cc1cc(=O)n2nc(sc2n1)N1CCC[C@@H]1C(=O)NC(C)(C)c1ccccc1 |r|
BDBM273173 O=C(NCc1ccccc1)[C@H]1CCCN1c1nn2c(nc(cc2=O)-c2ccccc2)s1 |r|
BDBM273174 O=C(NCc1ccccc1)[C@H]1CCCN1c1nn2c(nc3CCCCc3c2=O)s1 |r|
BDBM273175 FC(F)(F)c1cc(=O)n2nc(sc2n1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273176 CCc1cc(=O)n2nc(sc2n1)N1CCOC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273177 CC(C)c1c(C)nc2sc(nn2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273074 Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)-c1ccccn1 |r|
BDBM273075 Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)-c1c(F)cc(F)cc1F |r,wD:15.18,(5.33,-.08,;4,-.85,;4,-2.39,;2.66,-3.16,;1.33,-2.39,;-.14,-2.87,;-1.04,-1.62,;-.14,-.37,;1.33,-.85,;2.66,-.08,;2.66,1.46,;-2.58,-1.62,;-3.49,-2.87,;-4.95,-2.39,;-4.95,-.85,;-3.49,-.37,;-3.09,1.11,;-1.6,1.51,;-4.18,2.2,;-5.66,1.8,;-6.75,2.89,;-6.36,4.38,;-7.44,5.47,;-8.93,5.07,;-9.33,3.58,;-8.24,2.49,;5.33,-3.16,;5.33,-4.7,;4,-5.47,;6.66,-5.47,;8,-4.7,;9.33,-5.47,;8,-3.16,;6.66,-2.39,;7.43,-1.06,)|
BDBM273076 Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)-c1c(F)cccc1F |r,wD:15.18,(6,-.08,;4.66,-.85,;4.66,-2.39,;3.33,-3.16,;1.99,-2.39,;.53,-2.87,;-.37,-1.62,;.53,-.37,;1.99,-.85,;3.33,-.08,;3.33,1.46,;-1.91,-1.62,;-2.82,-2.87,;-4.28,-2.39,;-4.28,-.85,;-2.82,-.37,;-2.42,1.11,;-.93,1.51,;-3.51,2.2,;-5,1.8,;-6.09,2.89,;-5.69,4.38,;-6.78,5.47,;-8.26,5.07,;-8.66,3.58,;-7.57,2.49,;6,-3.16,;6,-4.7,;4.66,-5.47,;7.33,-5.47,;8.66,-4.7,;8.66,-3.16,;7.33,-2.39,;8.1,-1.06,)|
BDBM273077 Cc1noc(n1)-c1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273078 Cc1noc(n1)-c1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)NCc1ccc(F)cc1 |r|
BDBM273079 Cc1noc(n1)-c1nc2sc(nc2c(=O)n1CC(F)F)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273178 Cc1nc2sc(nn2c(=O)c1-c1ccccc1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273179 CCc1nc2sc(nn2c(=O)c1F)N1CC(F)(F)C[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273180 CC(C)c1cc(=O)n2nc(sc2n1)N1CCC[C@@H]1C(=O)NCc1ccccn1 |r|
BDBM273181 O=C(NC1(CC1)c1ccccc1)[C@H]1CCCN1c1nn2c(nc3ccccc3c2=O)s1 |r|
BDBM273182 Cc1cc2c(nc3sc(nn3c2=O)N2CCC[C@@H]2C(=O)NCc2ccccc2)s1 |r|
BDBM273183 Cc1cc(=O)n2nc(sc2n1)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273184 CCc1nc2sc(nn2c(=O)c1F)N1CCC[C@@H]1C(=O)NCc1cc(C)ccn1 |r|
BDBM273080 CC1(Cn2c(nc3sc(nc3c2=O)N2CCC[C@@H]2C(=O)NCc2ccccc2)C(F)(F)F)COC1 |r|
BDBM273081 Cc1ccccc1CNC(=O)[C@H]1CCCN1c1nc2c(nc(C)n(C)c2=O)s1 |r|
BDBM273082 CCc1nc2sc(nc2c(=O)n1C)N1CC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273083 CCc1nc2sc(nc2c(=O)n1CC)N1CCCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273084 O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2c(ncn(C3CCCC3)c2=O)s1 |r|
BDBM273085 FC(F)(F)c1nc2sc(nc2c(=O)n1C1CCOCC1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273086 FC(F)(F)c1nc2sc(nc2c(=O)n1C1COC1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
BDBM273185 Cc1cc(=O)n2nc(sc2n1)N1CCC[C@@H]1C(=O)N[C@@H]1CCCc2ccccc12 |r|
BDBM273186 CCc1nc2sc(nn2c(=O)c1F)N1CCC[C@@H]1C(=O)NCc1ccccc1Cl |r|
BDBM273187 CCc1nc2sc(nn2c(=O)c1F)N1CCC[C@@H]1C(=O)NCc1ncccn1 |r|
BDBM273188 CCc1nc2sc(nn2c(=O)c1F)N1CCC[C@@H]1C(=O)NCc1cnc(C)cn1 |r|
BDBM273189 CCc1nc2sc(nn2c(=O)c1F)N1CCC[C@@H]1C(=O)NCc1nnc2ccccn12 |r|
BDBM273190 CCc1nc2sc(nn2c(=O)c1F)N1CCC[C@@H]1C(=O)NCc1ccc(Cl)cc1Cl |r|
BDBM273191 CC1=C(C(=O)C2N=C(SC2=N1)N1CCC[C@@H]1C(=O)NCc1ccccc1)C1=CCOCC1 |r,c:6,10,t:1,30|
BDBM273070 Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)-c1ccccc1 |r|