smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000000666854 551517644 /nfs/dbraw/zinc/51/76/44/551517644.db2.gz GULAAGLJBXDJED-KGENOOAVSA-N 0 1 504.568 2.340 50 10 KECAMN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=S)N(c2cc(OC)ccc2OC)C1=O ZINC000002264608 551804349 /nfs/dbraw/zinc/80/43/49/551804349.db2.gz RMJJGJQQXXAXLZ-UMEYKSNOSA-N 0 1 508.556 2.191 50 10 KECAMN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=S)N(c2cc(OC)ccc2OC)C1=O ZINC000002264610 551804344 /nfs/dbraw/zinc/80/43/44/551804344.db2.gz RMJJGJQQXXAXLZ-XEYRCQSKSA-N 0 1 508.556 2.191 50 10 KECAMN CN1C(=O)N(C)C(=O)C2(Cc3cc(/C=C4\C(=O)NC(=O)N(C5CCCCC5)C4=O)ccc3N3CCC[C@@H]32)C1=O ZINC000002356701 552101241 /nfs/dbraw/zinc/10/12/41/552101241.db2.gz ARGOGGWLLKGOMD-CKNGIZQFSA-N 0 1 533.585 2.043 50 10 KECAMN C[NH+]1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)CC1 ZINC000008872576 553173576 /nfs/dbraw/zinc/17/35/76/553173576.db2.gz DJQPKIJUFBUPGR-ICFOKQHNSA-N 0 1 501.634 2.293 50 10 KECAMN COc1ccc(N2CCN(CCCNC(=O)C3CCN(S(=O)(=O)c4c(C)noc4C)CC3)CC2)cc1 ZINC000009561626 553281346 /nfs/dbraw/zinc/28/13/46/553281346.db2.gz RDTXMZFFBRWHKF-UHFFFAOYSA-N 0 1 519.668 2.029 50 10 KECAMN COc1ccc(N2CCN(CCCNC(=O)[C@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)CC2)cc1 ZINC000009681514 553296810 /nfs/dbraw/zinc/29/68/10/553296810.db2.gz GFVCFFOQADRCTK-NRFANRHFSA-N 0 1 519.668 2.029 50 10 KECAMN COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)CC2)cc1 ZINC000009681517 553296760 /nfs/dbraw/zinc/29/67/60/553296760.db2.gz GFVCFFOQADRCTK-OAQYLSRUSA-N 0 1 519.668 2.029 50 10 KECAMN COc1ccc(N2CCN(CCCNC(=O)N[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)cc1 ZINC000009829801 553309005 /nfs/dbraw/zinc/30/90/05/553309005.db2.gz JJCDUSFRPPNXJX-HXUWFJFHSA-N 0 1 509.607 2.083 50 10 KECAMN COc1ccc(N2CCN(CCCNC(=O)N[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)cc1 ZINC000009829802 553309017 /nfs/dbraw/zinc/30/90/17/553309017.db2.gz JJCDUSFRPPNXJX-FQEVSTJZSA-N 0 1 509.607 2.083 50 10 KECAMN CCCCCCN1C(=O)NC(=O)/C(=C\c2c(CCN(C)C(=S)NC)cc3c(c2OC)OCO3)C1=O ZINC000012860017 553422777 /nfs/dbraw/zinc/42/27/77/553422777.db2.gz GANKUEULAREJQJ-GHRIWEEISA-N 0 1 504.609 2.445 50 10 biogenic KECAMN COc1ccc(CCN2C(=O)NC(=O)C(=CNc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OC ZINC000013749828 553487680 /nfs/dbraw/zinc/48/76/80/553487680.db2.gz RJVZFTWXHLLSNV-XDJHFCHBSA-N 0 1 505.531 2.119 50 10 KECAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2ccc(O)c(O)c2)N[C@]32C(=O)Nc3ccccc32)cc1 ZINC000015959274 553546776 /nfs/dbraw/zinc/54/67/76/553546776.db2.gz ISQZJESVIRGBDJ-PKVHRPSESA-N 0 1 513.506 2.191 50 10 biogenic KECAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)c(O)c2)N[C@]32C(=O)Nc3ccccc32)cc1 ZINC000015959275 553546740 /nfs/dbraw/zinc/54/67/40/553546740.db2.gz ISQZJESVIRGBDJ-BMEWAZJXSA-N 0 1 513.506 2.191 50 10 biogenic KECAMN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@@H](Cc2ccc(O)c(O)c2)[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]21 ZINC000015972295 553547541 /nfs/dbraw/zinc/54/75/41/553547541.db2.gz VZAZLHJHVVHFSO-JEYWTEODSA-N 0 1 511.962 2.202 50 10 KECAMN CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNC[C@H]3c4c(cc5c(c4OC)OCO5)CC[N@@H+]3C)C2=O)cc1 ZINC000020112298 553694287 /nfs/dbraw/zinc/69/42/87/553694287.db2.gz GKQKZFRPUXBSMR-GQEMFKIVSA-N 0 1 508.531 2.108 50 10 biogenic KECAMN CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNC[C@H]3c4c(cc5c(c4OC)OCO5)CC[N@H+]3C)C2=O)cc1 ZINC000020112298 553694286 /nfs/dbraw/zinc/69/42/86/553694286.db2.gz GKQKZFRPUXBSMR-GQEMFKIVSA-N 0 1 508.531 2.108 50 10 biogenic KECAMN CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNC[C@@H]3c4c(cc5c(c4OC)OCO5)CC[N@@H+]3C)C2=O)cc1 ZINC000020112300 553694227 /nfs/dbraw/zinc/69/42/27/553694227.db2.gz GKQKZFRPUXBSMR-TVNWYLLRSA-N 0 1 508.531 2.108 50 10 biogenic KECAMN CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNC[C@@H]3c4c(cc5c(c4OC)OCO5)CC[N@H+]3C)C2=O)cc1 ZINC000020112300 553694226 /nfs/dbraw/zinc/69/42/26/553694226.db2.gz GKQKZFRPUXBSMR-TVNWYLLRSA-N 0 1 508.531 2.108 50 10 biogenic KECAMN CCOc1ccccc1N1C(=O)[N-]C(=O)C(=CNC[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)C1=O ZINC000020411196 553646319 /nfs/dbraw/zinc/64/63/19/553646319.db2.gz PGLHXFXJQPUQPY-QIPRVMPFSA-N 0 1 508.531 2.108 50 10 biogenic KECAMN CCOc1ccccc1N1C(=O)[N-]C(=O)C(=CNC[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)C1=O ZINC000020411196 553646317 /nfs/dbraw/zinc/64/63/17/553646317.db2.gz PGLHXFXJQPUQPY-QIPRVMPFSA-N 0 1 508.531 2.108 50 10 biogenic KECAMN CCOc1ccccc1N1C(=O)[N-]C(=O)C(=CNC[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)C1=O ZINC000020411200 553646363 /nfs/dbraw/zinc/64/63/63/553646363.db2.gz PGLHXFXJQPUQPY-FXFXYLOPSA-N 0 1 508.531 2.108 50 10 biogenic KECAMN CCOc1ccccc1N1C(=O)[N-]C(=O)C(=CNC[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)C1=O ZINC000020411200 553646362 /nfs/dbraw/zinc/64/63/62/553646362.db2.gz PGLHXFXJQPUQPY-FXFXYLOPSA-N 0 1 508.531 2.108 50 10 biogenic KECAMN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@@H](Cc2ccc(O)c(O)c2)[C@@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]21 ZINC000020572363 553674586 /nfs/dbraw/zinc/67/45/86/553674586.db2.gz VZAZLHJHVVHFSO-JKNIAMGCSA-N 0 1 511.962 2.202 50 10 KECAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)c(O)c2)N[C@@]32C(=O)Nc3ccccc32)cc1 ZINC000035363867 554044692 /nfs/dbraw/zinc/04/46/92/554044692.db2.gz ISQZJESVIRGBDJ-GXCDUKDASA-N 0 1 513.506 2.191 50 10 biogenic KECAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2ccc(O)c(O)c2)N[C@@]32C(=O)Nc3ccccc32)cc1 ZINC000035363868 554044678 /nfs/dbraw/zinc/04/46/78/554044678.db2.gz ISQZJESVIRGBDJ-IGGVYQGESA-N 0 1 513.506 2.191 50 10 biogenic KECAMN CN1CCN(CCC[NH2+]Cc2cc(I)cc(I)c2[O-])CC1 ZINC000048311419 554321814 /nfs/dbraw/zinc/32/18/14/554321814.db2.gz CNYZEKJWHLWWPN-UHFFFAOYSA-N 0 1 515.177 2.329 50 10 KECAMN COCCOc1ccc(N2CCN(CCn3ncc4c5nc(-c6ccco6)nn5c(N)nc43)CC2)cc1 ZINC000053006885 554329806 /nfs/dbraw/zinc/32/98/06/554329806.db2.gz DTYWJKSSUANMHD-UHFFFAOYSA-N 0 1 503.567 2.164 50 10 investigational KECAMN COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C1=O)[N@@H+](C)CC3)OCO2 ZINC000070672564 553602405 /nfs/dbraw/zinc/60/24/05/553602405.db2.gz QYCQCPKTAMEYSR-KGZWWPETSA-N 0 1 543.374 2.472 50 10 biogenic KECAMN COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C1=O)[N@H+](C)CC3)OCO2 ZINC000070672564 553602401 /nfs/dbraw/zinc/60/24/01/553602401.db2.gz QYCQCPKTAMEYSR-KGZWWPETSA-N 0 1 543.374 2.472 50 10 biogenic KECAMN COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C1=O)[N@@H+](C)CC3)OCO2 ZINC000070672567 553602473 /nfs/dbraw/zinc/60/24/73/553602473.db2.gz QYCQCPKTAMEYSR-BRVCPTFNSA-N 0 1 543.374 2.472 50 10 biogenic KECAMN COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C1=O)[N@H+](C)CC3)OCO2 ZINC000070672567 553602471 /nfs/dbraw/zinc/60/24/71/553602471.db2.gz QYCQCPKTAMEYSR-BRVCPTFNSA-N 0 1 543.374 2.472 50 10 biogenic KECAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2ccc(O)c(O)c2)N[C@@]32C(=O)Nc3ccccc32)cc1 ZINC000070699157 553615576 /nfs/dbraw/zinc/61/55/76/553615576.db2.gz LEOATOMKQVXFSS-ZFASCNIYSA-N 0 1 527.533 2.442 50 10 biogenic KECAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2ccc(O)c(O)c2)N[C@]32C(=O)Nc3ccccc32)cc1 ZINC000070699159 553615613 /nfs/dbraw/zinc/61/56/13/553615613.db2.gz LEOATOMKQVXFSS-VXVLLVOOSA-N 0 1 527.533 2.442 50 10 biogenic KECAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)c(O)c2)N[C@@]32C(=O)Nc3ccccc32)cc1 ZINC000070699161 553615591 /nfs/dbraw/zinc/61/55/91/553615591.db2.gz LEOATOMKQVXFSS-ZUWWUPDZSA-N 0 1 527.533 2.442 50 10 biogenic KECAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)c(O)c2)N[C@]32C(=O)Nc3ccccc32)cc1 ZINC000070699165 553615539 /nfs/dbraw/zinc/61/55/39/553615539.db2.gz LEOATOMKQVXFSS-WENIATCFSA-N 0 1 527.533 2.442 50 10 biogenic KECAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2ccc(O)c(O)c2)N[C@@]32C(=O)Nc3ccccc32)cc1OC ZINC000070701463 553622112 /nfs/dbraw/zinc/62/21/12/553622112.db2.gz NSBJYESNYOZQSK-SJEQQYOWSA-N 0 1 543.576 2.321 50 10 biogenic KECAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2ccc(O)c(O)c2)N[C@]32C(=O)Nc3ccccc32)cc1OC ZINC000070701465 553622067 /nfs/dbraw/zinc/62/20/67/553622067.db2.gz NSBJYESNYOZQSK-RBEXELFYSA-N 0 1 543.576 2.321 50 10 biogenic KECAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)c(O)c2)N[C@@]32C(=O)Nc3ccccc32)cc1OC ZINC000070701466 553622117 /nfs/dbraw/zinc/62/21/17/553622117.db2.gz NSBJYESNYOZQSK-ZLEDHLGDSA-N 0 1 543.576 2.321 50 10 biogenic KECAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)c(O)c2)N[C@]32C(=O)Nc3ccccc32)cc1OC ZINC000070701469 553622074 /nfs/dbraw/zinc/62/20/74/553622074.db2.gz NSBJYESNYOZQSK-WAWVIVDZSA-N 0 1 543.576 2.321 50 10 biogenic KECAMN CN1C(=O)N(C)C(=O)C2(Cc3cc(/C=C4\C(=O)NC(=O)N(C5CCCCC5)C4=O)ccc3N3CCC[C@H]32)C1=O ZINC000097967863 553924482 /nfs/dbraw/zinc/92/44/82/553924482.db2.gz ARGOGGWLLKGOMD-CURYZJDOSA-N 0 1 533.585 2.043 50 10 KECAMN CN1C(=O)N(C)C(=O)C2(Cc3cc(C=C4C(=O)NC(=O)N(Cc5ccccc5)C4=O)ccc3N3CCC[C@@H]32)C1=O ZINC000097967943 553925525 /nfs/dbraw/zinc/92/55/25/553925525.db2.gz IPZAZAJGMONQDT-VOSMRYOYSA-N 0 1 541.564 2.115 50 10 KECAMN CN1C(=O)N(C)C(=O)C2(Cc3cc(C=C4C(=O)NC(=O)N(Cc5ccccc5)C4=O)ccc3N3CCC[C@H]32)C1=O ZINC000097967944 553925531 /nfs/dbraw/zinc/92/55/31/553925531.db2.gz IPZAZAJGMONQDT-FGGAIWKESA-N 0 1 541.564 2.115 50 10 KECAMN CCCCCCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O ZINC000097968044 553927186 /nfs/dbraw/zinc/92/71/86/553927186.db2.gz JSNYHMGFWLGDLM-JENJNIGESA-N 0 1 535.601 2.290 50 10 KECAMN CCCCCCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O ZINC000097968045 553927183 /nfs/dbraw/zinc/92/71/83/553927183.db2.gz JSNYHMGFWLGDLM-DQYQWZCESA-N 0 1 535.601 2.290 50 10 KECAMN CN1C(=O)N(C)C(=O)C2(Cc3cc(C=C4C(=O)NC(=O)N(Cc5ccc(F)cc5)C4=O)ccc3N3CCC[C@@H]32)C1=O ZINC000097968289 553930063 /nfs/dbraw/zinc/93/00/63/553930063.db2.gz JVFWPFZVIYLFRJ-WVWKGNOCSA-N 0 1 559.554 2.254 50 10 KECAMN CN1C(=O)N(C)C(=O)C2(Cc3cc(C=C4C(=O)NC(=O)N(Cc5ccc(F)cc5)C4=O)ccc3N3CCC[C@H]32)C1=O ZINC000097968290 553930087 /nfs/dbraw/zinc/93/00/87/553930087.db2.gz JVFWPFZVIYLFRJ-IMEWXKHHSA-N 0 1 559.554 2.254 50 10 KECAMN CC(C)CCCN1C(=O)NC(=O)/C(=C/c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O ZINC000097968412 553931985 /nfs/dbraw/zinc/93/19/85/553931985.db2.gz INVPBRNFQNMTPL-LUDQZLGDSA-N 0 1 535.601 2.146 50 10 KECAMN CC(C)CCCN1C(=O)NC(=O)/C(=C/c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O ZINC000097968413 553932020 /nfs/dbraw/zinc/93/20/20/553932020.db2.gz INVPBRNFQNMTPL-PHJXOXRPSA-N 0 1 535.601 2.146 50 10 KECAMN CN1C(=O)C(=Cc2cc(I)c(O)c(I)c2)C(=O)N(C)C1=O ZINC000100061538 554198705 /nfs/dbraw/zinc/19/87/05/554198705.db2.gz LMUHYWIAMXUNFW-UHFFFAOYSA-N 0 1 512.041 2.035 50 10 KECAMN NS(=O)(=O)c1ccc(-n2cccc2/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)cc1 ZINC000100165576 554236505 /nfs/dbraw/zinc/23/65/05/554236505.db2.gz JVEYBCCGUKDRAV-PDGQHHTCSA-N 0 1 534.335 2.191 50 10 KECAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000100648413 554436920 /nfs/dbraw/zinc/43/69/20/554436920.db2.gz CHXQDOCXRPCFFB-UHFFFAOYSA-N 0 1 542.307 2.207 50 10 KECAMN CCOc1ccccc1N1C(=O)[N-]C(=O)C(=CNC[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)C1=O ZINC000100754262 554466784 /nfs/dbraw/zinc/46/67/84/554466784.db2.gz PGLHXFXJQPUQPY-XSVZSIDJSA-N 0 1 508.531 2.108 50 10 biogenic KECAMN CCOc1ccccc1N1C(=O)[N-]C(=O)C(=CNC[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)C1=O ZINC000100754264 554466743 /nfs/dbraw/zinc/46/67/43/554466743.db2.gz PGLHXFXJQPUQPY-XOQYZJNISA-N 0 1 508.531 2.108 50 10 biogenic KECAMN COc1cc(N2C(=O)C(=CNc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)NC2=S)cc(OC)c1OC ZINC000100797372 554473914 /nfs/dbraw/zinc/47/39/14/554473914.db2.gz ZGTQNTKZQFBZKU-GHRIWEEISA-N 0 1 523.571 2.254 50 10 KECAMN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)c(NCCC[NH+]3CCOCC3)nc12 ZINC000100840478 554488721 /nfs/dbraw/zinc/48/87/21/554488721.db2.gz QYENHQIAONINCX-SDXDJHTJSA-N 0 1 531.660 2.203 50 10 KECAMN O=C1Nc2ccc(Br)cc2[C@@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12 ZINC000101091468 554582578 /nfs/dbraw/zinc/58/25/78/554582578.db2.gz JVAFDVXUNQGRSG-WTFHDJKSSA-N 0 1 542.386 2.002 50 10 KECAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2ccc(O)c(O)c2)N[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000101345052 554737046 /nfs/dbraw/zinc/73/70/46/554737046.db2.gz LWNOJWSXZXBCAW-IGGVYQGESA-N 0 1 531.496 2.330 50 10 KECAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2ccc(O)c(O)c2)N[C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000101345055 554737130 /nfs/dbraw/zinc/73/71/30/554737130.db2.gz LWNOJWSXZXBCAW-PKVHRPSESA-N 0 1 531.496 2.330 50 10 KECAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)c(O)c2)N[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000101345057 554737053 /nfs/dbraw/zinc/73/70/53/554737053.db2.gz LWNOJWSXZXBCAW-GXCDUKDASA-N 0 1 531.496 2.330 50 10 KECAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)c(O)c2)N[C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000101345061 554737115 /nfs/dbraw/zinc/73/71/15/554737115.db2.gz LWNOJWSXZXBCAW-BMEWAZJXSA-N 0 1 531.496 2.330 50 10 KECAMN O=C1Nc2ccc(F)cc2[C@@]12N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000101346223 554737315 /nfs/dbraw/zinc/73/73/15/554737315.db2.gz UELFYBVLWMBTNC-HUDHWQHISA-N 0 1 531.496 2.176 50 10 KECAMN O=C1Nc2ccc(F)cc2[C@@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000101346224 554737383 /nfs/dbraw/zinc/73/73/83/554737383.db2.gz UELFYBVLWMBTNC-CKXGOFNASA-N 0 1 531.496 2.176 50 10 KECAMN O=C1Nc2ccc(F)cc2[C@]12N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000101346226 554737409 /nfs/dbraw/zinc/73/74/09/554737409.db2.gz UELFYBVLWMBTNC-JFRXHZBCSA-N 0 1 531.496 2.176 50 10 KECAMN O=C1Nc2ccc(F)cc2[C@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000101346227 554737457 /nfs/dbraw/zinc/73/74/57/554737457.db2.gz UELFYBVLWMBTNC-VLRVBGRWSA-N 0 1 531.496 2.176 50 10 KECAMN CC(C)CCCN1C(=O)NC(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O ZINC000101375006 554746191 /nfs/dbraw/zinc/74/61/91/554746191.db2.gz LLEIBPHFJHVUFK-JENJNIGESA-N 0 1 550.616 2.059 50 10 KECAMN CC(C)CCCN1C(=O)NC(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O ZINC000101375009 554746071 /nfs/dbraw/zinc/74/60/71/554746071.db2.gz LLEIBPHFJHVUFK-DQYQWZCESA-N 0 1 550.616 2.059 50 10 KECAMN O=C1Nc2ccc(Br)cc2[C@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000101391599 554754934 /nfs/dbraw/zinc/75/49/34/554754934.db2.gz JVAFDVXUNQGRSG-WRNJSPSRSA-N 0 1 542.386 2.002 50 10 KECAMN O=C1Nc2ccc(Br)cc2[C@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000101391602 554754946 /nfs/dbraw/zinc/75/49/46/554754946.db2.gz JVAFDVXUNQGRSG-QJERTUCVSA-N 0 1 542.386 2.002 50 10 KECAMN COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)NCCCN1CCN(c3ccc(OC)cc3)CC1)c2=O ZINC000102740475 555029327 /nfs/dbraw/zinc/02/93/27/555029327.db2.gz ZZWDNCLNOWWYBS-UHFFFAOYSA-N 0 1 565.671 2.374 50 10 KECAMN CC[C@@]1(O)C[C@H](O[C@@H]2C[C@H]([NH+](C)C)[C@@H](O)[C@H](C)O2)c2c([O-])c3c(cc2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000145392749 571456538 /nfs/dbraw/zinc/45/65/38/571456538.db2.gz LJZPVWKMAYDYAS-KIYYNGEYSA-N 0 1 569.607 2.158 50 10 KECAMN NC(=O)C1CCN(CCC[NH2+]Cc2cc(I)cc(I)c2[O-])CC1 ZINC000205272037 1066354943 /nfs/dbraw/zinc/35/49/43/1066354943.db2.gz XPWDICQRAYYOTJ-UHFFFAOYSA-N 0 1 543.187 2.278 50 10 KECAMN COC(=O)c1ccc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)cc1 ZINC000217615123 571601817 /nfs/dbraw/zinc/60/18/17/571601817.db2.gz PJWLJLZRUZQCOZ-IBGZPJMESA-N 0 1 503.511 2.479 50 10 KECAMN COC(=O)c1ccc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)cc1 ZINC000217615207 571601743 /nfs/dbraw/zinc/60/17/43/571601743.db2.gz PJWLJLZRUZQCOZ-LJQANCHMSA-N 0 1 503.511 2.479 50 10 KECAMN COc1cc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)cc2c1OCO2 ZINC000217649410 571602108 /nfs/dbraw/zinc/60/21/08/571602108.db2.gz NTORLFLOVJGSGI-KRWDZBQOSA-N 0 1 519.510 2.430 50 10 KECAMN COc1cc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)cc2c1OCO2 ZINC000217649487 571602129 /nfs/dbraw/zinc/60/21/29/571602129.db2.gz NTORLFLOVJGSGI-QGZVFWFLSA-N 0 1 519.510 2.430 50 10 KECAMN COc1cc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)cc2c1OCCO2 ZINC000217772611 571602510 /nfs/dbraw/zinc/60/25/10/571602510.db2.gz HLXXXQCFVKAISD-SFHVURJKSA-N 0 1 533.537 2.472 50 10 KECAMN COc1cc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)cc2c1OCCO2 ZINC000217772689 571602552 /nfs/dbraw/zinc/60/25/52/571602552.db2.gz HLXXXQCFVKAISD-GOSISDBHSA-N 0 1 533.537 2.472 50 10 KECAMN CC[C@@]1(O)C[C@H](O[C@@H]2C[C@H]([NH+](C)C)[C@@H](O)[C@@H](C)O2)c2c([O-])c3c(cc2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000226328977 572135982 /nfs/dbraw/zinc/13/59/82/572135982.db2.gz LJZPVWKMAYDYAS-BNSBUQAESA-N 0 1 569.607 2.158 50 10 KECAMN O=C1Nc2ccc(Br)cc2[C@@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000230045491 572181882 /nfs/dbraw/zinc/18/18/82/572181882.db2.gz JVAFDVXUNQGRSG-YRZPXYAYSA-N 0 1 542.386 2.002 50 10 KECAMN COc1cc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)cc2c1OCCO2 ZINC000230463980 572186405 /nfs/dbraw/zinc/18/64/05/572186405.db2.gz RZECMGIEBJRCTJ-GOSISDBHSA-N 0 1 533.537 2.472 50 10 KECAMN COc1cc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)cc2c1OCCO2 ZINC000230464020 572186571 /nfs/dbraw/zinc/18/65/71/572186571.db2.gz RZECMGIEBJRCTJ-SFHVURJKSA-N 0 1 533.537 2.472 50 10 KECAMN O=C1Nc2ccc(Br)cc2[C@@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@H]12 ZINC000247856172 572246649 /nfs/dbraw/zinc/24/66/49/572246649.db2.gz JVAFDVXUNQGRSG-KDMZIZJSSA-N 0 1 542.386 2.002 50 10 KECAMN O=C1Nc2ccc(Br)cc2[C@@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000247856178 572246479 /nfs/dbraw/zinc/24/64/79/572246479.db2.gz JVAFDVXUNQGRSG-QRWBALGLSA-N 0 1 542.386 2.002 50 10 KECAMN [O-]c1c(I)cc(I)cc1C[NH2+]C[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000252527803 572262483 /nfs/dbraw/zinc/26/24/83/572262483.db2.gz DJRSDYRPODGXGD-AWEZNQCLSA-N 0 1 571.241 2.345 50 10 KECAMN [O-]c1c(I)cc(I)cc1C[NH2+]C[C@H]1CCN(CCN2CCOCC2)C1 ZINC000252527804 572262496 /nfs/dbraw/zinc/26/24/96/572262496.db2.gz DJRSDYRPODGXGD-CQSZACIVSA-N 0 1 571.241 2.345 50 10 KECAMN CN1CCN(c2ccc(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)CCC(=O)NCC3)cc2)CC1 ZINC000257183217 1066217360 /nfs/dbraw/zinc/21/73/60/1066217360.db2.gz QZKJGSKRBRVYDC-DEOSSOPVSA-N 0 1 541.718 2.052 50 10 KECAMN CN1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)CCC(=O)NCC3)cc2)CC1 ZINC000257183218 1066217340 /nfs/dbraw/zinc/21/73/40/1066217340.db2.gz QZKJGSKRBRVYDC-XMMPIXPASA-N 0 1 541.718 2.052 50 10 KECAMN