smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCN(c2ccccc2NC(=O)c2cccc(C)c2[O-])CC1 ZINC000218508258 266194395 /nfs/dbraw/zinc/19/43/95/266194395.db2.gz WPCCJESQXVFCLP-UHFFFAOYSA-N -1 3 339.439 3.095 10 70 EGIEHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)[n-]2)o1 ZINC000160335038 455449099 /nfs/dbraw/zinc/44/90/99/455449099.db2.gz MEJZQGVTANMLOG-WDEREUQCSA-N -1 3 344.321 3.394 10 70 EGIEHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)n2)o1 ZINC000160335038 455449102 /nfs/dbraw/zinc/44/91/02/455449102.db2.gz MEJZQGVTANMLOG-WDEREUQCSA-N -1 3 344.321 3.394 10 70 EGIEHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)n[n-]2)o1 ZINC000160335038 455449106 /nfs/dbraw/zinc/44/91/06/455449106.db2.gz MEJZQGVTANMLOG-WDEREUQCSA-N -1 3 344.321 3.394 10 70 EGIEHM CC[C@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)c1nccs1 ZINC000159943051 455417688 /nfs/dbraw/zinc/41/76/88/455417688.db2.gz CDYQVTYSWAPFKL-AWEZNQCLSA-N -1 3 347.465 3.262 10 70 EGIEHM Cc1ccc(-c2nnc(NC(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)[n-]2)o1 ZINC000160210221 455438816 /nfs/dbraw/zinc/43/88/16/455438816.db2.gz ZOUKLZJTKHNNPW-JQWIXIFHSA-N -1 3 344.321 3.394 10 70 EGIEHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)n2)o1 ZINC000160210221 455438818 /nfs/dbraw/zinc/43/88/18/455438818.db2.gz ZOUKLZJTKHNNPW-JQWIXIFHSA-N -1 3 344.321 3.394 10 70 EGIEHM Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)n[n-]2)o1 ZINC000160210221 455438821 /nfs/dbraw/zinc/43/88/21/455438821.db2.gz ZOUKLZJTKHNNPW-JQWIXIFHSA-N -1 3 344.321 3.394 10 70 EGIEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)OCCC(C)C)cc2)n1 ZINC000161140883 455539448 /nfs/dbraw/zinc/53/94/48/455539448.db2.gz NVRATZVLEZPMJK-AWEZNQCLSA-N -1 3 343.427 3.135 10 70 EGIEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)OCCC(C)C)cc2)n1 ZINC000161140758 455539548 /nfs/dbraw/zinc/53/95/48/455539548.db2.gz NVRATZVLEZPMJK-CQSZACIVSA-N -1 3 343.427 3.135 10 70 EGIEHM CC[C@H]([N-]S(=O)(=O)c1ccccc1OC(F)F)c1nccs1 ZINC000159910307 307881892 /nfs/dbraw/zinc/88/18/92/307881892.db2.gz SXSLBOCEMIKTNW-VIFPVBQESA-N -1 3 348.396 3.174 10 70 EGIEHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160391046 455453753 /nfs/dbraw/zinc/45/37/53/455453753.db2.gz ZSVKCCOKIYDZQE-ZIAGYGMSSA-N -1 3 338.367 3.124 10 70 EGIEHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160391046 455453757 /nfs/dbraw/zinc/45/37/57/455453757.db2.gz ZSVKCCOKIYDZQE-ZIAGYGMSSA-N -1 3 338.367 3.124 10 70 EGIEHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160391046 455453761 /nfs/dbraw/zinc/45/37/61/455453761.db2.gz ZSVKCCOKIYDZQE-ZIAGYGMSSA-N -1 3 338.367 3.124 10 70 EGIEHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)[n-]2)o1 ZINC000160334788 455448974 /nfs/dbraw/zinc/44/89/74/455448974.db2.gz MEJZQGVTANMLOG-GHMZBOCLSA-N -1 3 344.321 3.394 10 70 EGIEHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)n2)o1 ZINC000160334788 455448978 /nfs/dbraw/zinc/44/89/78/455448978.db2.gz MEJZQGVTANMLOG-GHMZBOCLSA-N -1 3 344.321 3.394 10 70 EGIEHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)n[n-]2)o1 ZINC000160334788 455448983 /nfs/dbraw/zinc/44/89/83/455448983.db2.gz MEJZQGVTANMLOG-GHMZBOCLSA-N -1 3 344.321 3.394 10 70 EGIEHM CCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@H](C)c1cccnc1 ZINC000159930826 206271816 /nfs/dbraw/zinc/27/18/16/206271816.db2.gz FQYXYMDBKHDNHR-GFCCVEGCSA-N -1 3 330.384 3.028 10 70 EGIEHM COc1ccc([C@@H](C)C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160262066 455442854 /nfs/dbraw/zinc/44/28/54/455442854.db2.gz GERVVHGRDUGYDC-LLVKDONJSA-N -1 3 326.356 3.124 10 70 EGIEHM COc1ccc([C@@H](C)C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160262066 455442860 /nfs/dbraw/zinc/44/28/60/455442860.db2.gz GERVVHGRDUGYDC-LLVKDONJSA-N -1 3 326.356 3.124 10 70 EGIEHM COc1ccc([C@@H](C)C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160262066 455442865 /nfs/dbraw/zinc/44/28/65/455442865.db2.gz GERVVHGRDUGYDC-LLVKDONJSA-N -1 3 326.356 3.124 10 70 EGIEHM O=S(=O)([N-]CCc1ccccc1O)c1c(Cl)cccc1Cl ZINC000159655227 455393585 /nfs/dbraw/zinc/39/35/85/455393585.db2.gz OCBRFNAWDVBVKS-UHFFFAOYSA-N -1 3 346.235 3.220 10 70 EGIEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(Cl)ccn3)cc2)n1 ZINC000161195410 455546313 /nfs/dbraw/zinc/54/63/13/455546313.db2.gz XTRQNQDITCKRQL-UHFFFAOYSA-N -1 3 340.770 3.046 10 70 EGIEHM CCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@@H](C)c1cccnc1 ZINC000159930684 206271119 /nfs/dbraw/zinc/27/11/19/206271119.db2.gz FQYXYMDBKHDNHR-LBPRGKRZSA-N -1 3 330.384 3.028 10 70 EGIEHM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1nccs1 ZINC000159962077 455419205 /nfs/dbraw/zinc/41/92/05/455419205.db2.gz ZXWIUSATRIMAKL-JTQLQIEISA-N -1 3 334.825 3.365 10 70 EGIEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCOc3ccccc3)cc2)n1 ZINC000161207192 455548289 /nfs/dbraw/zinc/54/82/89/455548289.db2.gz IVCHTFAFEOIEQD-UHFFFAOYSA-N -1 3 349.390 3.153 10 70 EGIEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(SC)cc1)c1nccs1 ZINC000159957464 455418720 /nfs/dbraw/zinc/41/87/20/455418720.db2.gz PSAGBOZDNXECQX-GFCCVEGCSA-N -1 3 328.484 3.295 10 70 EGIEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1nccs1 ZINC000159978323 455420418 /nfs/dbraw/zinc/42/04/18/455420418.db2.gz NNZKJBIJPXIQHA-SNVBAGLBSA-N -1 3 334.825 3.365 10 70 EGIEHM CO[C@@H](C)c1nc(C)c(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)s1 ZINC000160172639 455433835 /nfs/dbraw/zinc/43/38/35/455433835.db2.gz QRHZOQRUALTKTO-VIFPVBQESA-N -1 3 347.400 3.098 10 70 EGIEHM CO[C@@H](C)c1nc(C)c(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)s1 ZINC000160172639 455433840 /nfs/dbraw/zinc/43/38/40/455433840.db2.gz QRHZOQRUALTKTO-VIFPVBQESA-N -1 3 347.400 3.098 10 70 EGIEHM Cc1cc(Cl)cc(NC(=O)[C@@H](C)Oc2cccc(CO)c2)c1[O-] ZINC000160492587 455465983 /nfs/dbraw/zinc/46/59/83/455465983.db2.gz YSCSVCJKNBAVAX-LLVKDONJSA-N -1 3 335.787 3.252 10 70 EGIEHM CCc1cc(=O)[n-]c(CN2CCC(Oc3ccc(F)cc3F)CC2)n1 ZINC000160885774 455508385 /nfs/dbraw/zinc/50/83/85/455508385.db2.gz RFHUOFXRQKPJDI-UHFFFAOYSA-N -1 3 349.381 3.066 10 70 EGIEHM COc1cccc(C(=O)NCc2csc(-c3ccco3)n2)c1[O-] ZINC000160518176 455468434 /nfs/dbraw/zinc/46/84/34/455468434.db2.gz OKXNMSQKJHECQF-UHFFFAOYSA-N -1 3 330.365 3.047 10 70 EGIEHM COc1cc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc(OC)c1[O-] ZINC000159529103 225235267 /nfs/dbraw/zinc/23/52/67/225235267.db2.gz HLTRLWBBHIYZJS-MNOVXSKESA-N -1 3 347.333 3.260 10 70 EGIEHM COc1cccc(C(=O)NCC2(Sc3ccccc3)CC2)c1[O-] ZINC000217067296 266194019 /nfs/dbraw/zinc/19/40/19/266194019.db2.gz ROEZUQRAWZTKAP-UHFFFAOYSA-N -1 3 329.421 3.456 10 70 EGIEHM CC[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)c1nccs1 ZINC000159933028 455416790 /nfs/dbraw/zinc/41/67/90/455416790.db2.gz UGMYIPGOOBXCMI-NSHDSACASA-N -1 3 346.861 3.235 10 70 EGIEHM CCc1cccc(CC(=O)Nc2n[n-]c(-c3ccccc3OC)n2)c1 ZINC000160541561 455471886 /nfs/dbraw/zinc/47/18/86/455471886.db2.gz ABCOWWPNHVVQJU-UHFFFAOYSA-N -1 3 336.395 3.224 10 70 EGIEHM COc1cccc(C(=O)NC[C@H](OC)c2ccccc2Cl)c1[O-] ZINC000159490782 546938429 /nfs/dbraw/zinc/93/84/29/546938429.db2.gz NSPWVWWIDWHIAG-HNNXBMFYSA-N -1 3 335.787 3.172 10 70 EGIEHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1nccs1 ZINC000159978185 455419852 /nfs/dbraw/zinc/41/98/52/455419852.db2.gz NNZKJBIJPXIQHA-JTQLQIEISA-N -1 3 334.825 3.365 10 70 EGIEHM COc1cc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)cc(OC)c1[O-] ZINC000161003240 307897400 /nfs/dbraw/zinc/89/74/00/307897400.db2.gz GXOHTTJCEQNTOC-SECBINFHSA-N -1 3 337.322 3.179 10 70 EGIEHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@@H]3c3cc(F)ccc3F)[n-]2)o1 ZINC000160209804 455438633 /nfs/dbraw/zinc/43/86/33/455438633.db2.gz ZOUKLZJTKHNNPW-ZYHUDNBSSA-N -1 3 344.321 3.394 10 70 EGIEHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3C[C@@H]3c3cc(F)ccc3F)n2)o1 ZINC000160209804 455438636 /nfs/dbraw/zinc/43/86/36/455438636.db2.gz ZOUKLZJTKHNNPW-ZYHUDNBSSA-N -1 3 344.321 3.394 10 70 EGIEHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@@H]3c3cc(F)ccc3F)n[n-]2)o1 ZINC000160209804 455438639 /nfs/dbraw/zinc/43/86/39/455438639.db2.gz ZOUKLZJTKHNNPW-ZYHUDNBSSA-N -1 3 344.321 3.394 10 70 EGIEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CSC(C)(C)C)cc2)n1 ZINC000161201963 455547370 /nfs/dbraw/zinc/54/73/70/455547370.db2.gz UNEGUNSCXMDUNF-UHFFFAOYSA-N -1 3 331.441 3.216 10 70 EGIEHM Cc1ccc(-c2nnc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)[n-]2)o1 ZINC000160334912 455448255 /nfs/dbraw/zinc/44/82/55/455448255.db2.gz MEJZQGVTANMLOG-MNOVXSKESA-N -1 3 344.321 3.394 10 70 EGIEHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)n2)o1 ZINC000160334912 455448260 /nfs/dbraw/zinc/44/82/60/455448260.db2.gz MEJZQGVTANMLOG-MNOVXSKESA-N -1 3 344.321 3.394 10 70 EGIEHM Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)n[n-]2)o1 ZINC000160334912 455448263 /nfs/dbraw/zinc/44/82/63/455448263.db2.gz MEJZQGVTANMLOG-MNOVXSKESA-N -1 3 344.321 3.394 10 70 EGIEHM COc1cc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc(OC)c1[O-] ZINC000161003130 455522489 /nfs/dbraw/zinc/52/24/89/455522489.db2.gz GXOHTTJCEQNTOC-VIFPVBQESA-N -1 3 337.322 3.179 10 70 EGIEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1nccs1 ZINC000159940482 455417639 /nfs/dbraw/zinc/41/76/39/455417639.db2.gz FVWAORFVIUAONV-SNVBAGLBSA-N -1 3 334.825 3.365 10 70 EGIEHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1nccs1 ZINC000159962220 455419594 /nfs/dbraw/zinc/41/95/94/455419594.db2.gz ZXWIUSATRIMAKL-SNVBAGLBSA-N -1 3 334.825 3.365 10 70 EGIEHM Cc1ccc(-c2nnc(NC(=O)C[C@H]3CCOc4ccccc43)[n-]2)o1 ZINC000160276421 455443474 /nfs/dbraw/zinc/44/34/74/455443474.db2.gz WPZDFAPKUIWYJZ-GFCCVEGCSA-N -1 3 338.367 3.268 10 70 EGIEHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@H]3CCOc4ccccc43)n2)o1 ZINC000160276421 455443479 /nfs/dbraw/zinc/44/34/79/455443479.db2.gz WPZDFAPKUIWYJZ-GFCCVEGCSA-N -1 3 338.367 3.268 10 70 EGIEHM Cc1ccc(-c2nc(NC(=O)C[C@H]3CCOc4ccccc43)n[n-]2)o1 ZINC000160276421 455443484 /nfs/dbraw/zinc/44/34/84/455443484.db2.gz WPZDFAPKUIWYJZ-GFCCVEGCSA-N -1 3 338.367 3.268 10 70 EGIEHM O=C(NCc1ccc([O-])c(F)c1)NCc1ccccc1OC1CCC1 ZINC000160337550 455449947 /nfs/dbraw/zinc/44/99/47/455449947.db2.gz APONUJUOZQDCFE-UHFFFAOYSA-N -1 3 344.386 3.462 10 70 EGIEHM Cc1ccc(-c2nnc(NC(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)[n-]2)o1 ZINC000160335157 455449160 /nfs/dbraw/zinc/44/91/60/455449160.db2.gz MEJZQGVTANMLOG-QWRGUYRKSA-N -1 3 344.321 3.394 10 70 EGIEHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)n2)o1 ZINC000160335157 455449166 /nfs/dbraw/zinc/44/91/66/455449166.db2.gz MEJZQGVTANMLOG-QWRGUYRKSA-N -1 3 344.321 3.394 10 70 EGIEHM Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)n[n-]2)o1 ZINC000160335157 455449171 /nfs/dbraw/zinc/44/91/71/455449171.db2.gz MEJZQGVTANMLOG-QWRGUYRKSA-N -1 3 344.321 3.394 10 70 EGIEHM Cc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)c1[O-] ZINC000216710453 266193402 /nfs/dbraw/zinc/19/34/02/266193402.db2.gz ABDJMTOIPKBXTG-INIZCTEOSA-N -1 3 332.831 3.387 10 70 EGIEHM CN(C(=O)c1c[n-]nc1-c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000160249073 455442032 /nfs/dbraw/zinc/44/20/32/455442032.db2.gz VDLVQUNPANSNJI-UHFFFAOYSA-N -1 3 339.326 3.221 10 70 EGIEHM COc1ccc([C@H](C)C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160261922 455442281 /nfs/dbraw/zinc/44/22/81/455442281.db2.gz GERVVHGRDUGYDC-NSHDSACASA-N -1 3 326.356 3.124 10 70 EGIEHM COc1ccc([C@H](C)C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160261922 455442287 /nfs/dbraw/zinc/44/22/87/455442287.db2.gz GERVVHGRDUGYDC-NSHDSACASA-N -1 3 326.356 3.124 10 70 EGIEHM COc1ccc([C@H](C)C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160261922 455442294 /nfs/dbraw/zinc/44/22/94/455442294.db2.gz GERVVHGRDUGYDC-NSHDSACASA-N -1 3 326.356 3.124 10 70 EGIEHM CC[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1nccs1 ZINC000161116189 455535866 /nfs/dbraw/zinc/53/58/66/455535866.db2.gz AATGRYAODJQBKQ-LLVKDONJSA-N -1 3 340.408 3.367 10 70 EGIEHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2Cl)cc1 ZINC000161070001 455529646 /nfs/dbraw/zinc/52/96/46/455529646.db2.gz ADWAHTSLTPGGRJ-UHFFFAOYSA-N -1 3 339.800 3.236 10 70 EGIEHM COc1cccc(C(=O)NC[C@@H](OC)c2ccccc2Cl)c1[O-] ZINC000159490911 546938462 /nfs/dbraw/zinc/93/84/62/546938462.db2.gz NSPWVWWIDWHIAG-OAHLLOKOSA-N -1 3 335.787 3.172 10 70 EGIEHM CCN1CCN(c2ccccc2NC(=O)c2cc(C)ccc2[O-])CC1 ZINC000218508356 266194359 /nfs/dbraw/zinc/19/43/59/266194359.db2.gz AXQOOZIBNARVPN-UHFFFAOYSA-N -1 3 339.439 3.095 10 70 EGIEHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1)c1nccs1 ZINC000159955662 307882826 /nfs/dbraw/zinc/88/28/26/307882826.db2.gz SFOSUKBKENXQLC-NSHDSACASA-N -1 3 346.861 3.235 10 70 EGIEHM COc1cc(C(=O)N(Cc2ccccc2)C(C)C)cc(OC)c1[O-] ZINC000161328506 307901632 /nfs/dbraw/zinc/90/16/32/307901632.db2.gz HNXMPNXKTXHGRI-UHFFFAOYSA-N -1 3 329.396 3.460 10 70 EGIEHM Cc1ccc(-c2nnc(NC(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)[n-]2)o1 ZINC000160209938 455438743 /nfs/dbraw/zinc/43/87/43/455438743.db2.gz ZOUKLZJTKHNNPW-PWSUYJOCSA-N -1 3 344.321 3.394 10 70 EGIEHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)n2)o1 ZINC000160209938 455438746 /nfs/dbraw/zinc/43/87/46/455438746.db2.gz ZOUKLZJTKHNNPW-PWSUYJOCSA-N -1 3 344.321 3.394 10 70 EGIEHM Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)n[n-]2)o1 ZINC000160209938 455438749 /nfs/dbraw/zinc/43/87/49/455438749.db2.gz ZOUKLZJTKHNNPW-PWSUYJOCSA-N -1 3 344.321 3.394 10 70 EGIEHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000159722527 455398058 /nfs/dbraw/zinc/39/80/58/455398058.db2.gz NPTOALXYLSQVOG-ZIAGYGMSSA-N -1 3 336.457 3.213 10 70 EGIEHM COc1cc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc(OC)c1[O-] ZINC000159528846 225234793 /nfs/dbraw/zinc/23/47/93/225234793.db2.gz HLTRLWBBHIYZJS-QWRGUYRKSA-N -1 3 347.333 3.260 10 70 EGIEHM COc1ccc(C(=O)N2CC=C(c3ccccc3F)CC2)c([O-])c1 ZINC000160317657 455447685 /nfs/dbraw/zinc/44/76/85/455447685.db2.gz IVNXYJQBFGQJLQ-UHFFFAOYSA-N -1 3 327.355 3.469 10 70 EGIEHM CCCN(CC(=O)Nc1ccccc1C)Cc1nc(C)ccc1[O-] ZINC000160737453 455494017 /nfs/dbraw/zinc/49/40/17/455494017.db2.gz AXHHAPSAQONLME-UHFFFAOYSA-N -1 3 327.428 3.255 10 70 EGIEHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000159722952 533423343 /nfs/dbraw/zinc/42/33/43/533423343.db2.gz NPTOALXYLSQVOG-KBPBESRZSA-N -1 3 336.457 3.213 10 70 EGIEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1)c1nccs1 ZINC000159955798 307882786 /nfs/dbraw/zinc/88/27/86/307882786.db2.gz SFOSUKBKENXQLC-LLVKDONJSA-N -1 3 346.861 3.235 10 70 EGIEHM CC[C@H]([N-]S(=O)(=O)c1cccc2cc(C)cnc21)c1nccs1 ZINC000159977697 455419635 /nfs/dbraw/zinc/41/96/35/455419635.db2.gz OFFSLILFWPAGJA-ZDUSSCGKSA-N -1 3 347.465 3.429 10 70 EGIEHM Cc1cnn(Cc2cc(C(=O)[N-]c3nc4ccccc4s3)no2)c1 ZINC000160429218 455457994 /nfs/dbraw/zinc/45/79/94/455457994.db2.gz MONCHMLDTCZNGF-UHFFFAOYSA-N -1 3 339.380 3.090 10 70 EGIEHM Cc1ccc([O-])c(CN(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)n1 ZINC000161475980 455573924 /nfs/dbraw/zinc/57/39/24/455573924.db2.gz YDUGLPVMYZGMCI-UHFFFAOYSA-N -1 3 345.418 3.474 10 70 EGIEHM O=S(=O)([N-]CCc1ccccc1O)c1cc(Cl)ccc1Cl ZINC000159664946 455394605 /nfs/dbraw/zinc/39/46/05/455394605.db2.gz JMBASRLTGXZBKI-UHFFFAOYSA-N -1 3 346.235 3.220 10 70 EGIEHM COc1cccc(C(=O)N(C)Cc2nc(-c3ccccc3)c[nH]2)c1[O-] ZINC000159473976 455379466 /nfs/dbraw/zinc/37/94/66/455379466.db2.gz KXRAKMRCWULXNB-UHFFFAOYSA-N -1 3 337.379 3.063 10 70 EGIEHM CO[C@@H](C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)c1ccccc1 ZINC000161168451 455542846 /nfs/dbraw/zinc/54/28/46/455542846.db2.gz SXUIHRHPCSTRGS-GOSISDBHSA-N -1 3 349.390 3.072 10 70 EGIEHM Cc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)c1[O-] ZINC000216710492 266193443 /nfs/dbraw/zinc/19/34/43/266193443.db2.gz ABDJMTOIPKBXTG-MRXNPFEDSA-N -1 3 332.831 3.387 10 70 EGIEHM COc1cc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc(OC)c1[O-] ZINC000159528698 206249306 /nfs/dbraw/zinc/24/93/06/206249306.db2.gz HLTRLWBBHIYZJS-WDEREUQCSA-N -1 3 347.333 3.260 10 70 EGIEHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)[n-]2)o1 ZINC000160414807 455456498 /nfs/dbraw/zinc/45/64/98/455456498.db2.gz CLJAVYWQMDEBSM-CHWSQXEVSA-N -1 3 326.331 3.254 10 70 EGIEHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)n2)o1 ZINC000160414807 455456503 /nfs/dbraw/zinc/45/65/03/455456503.db2.gz CLJAVYWQMDEBSM-CHWSQXEVSA-N -1 3 326.331 3.254 10 70 EGIEHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)n[n-]2)o1 ZINC000160414807 455456507 /nfs/dbraw/zinc/45/65/07/455456507.db2.gz CLJAVYWQMDEBSM-CHWSQXEVSA-N -1 3 326.331 3.254 10 70 EGIEHM COc1cccc(C(=O)Nc2ccc(Oc3cc(C)[nH]n3)cc2)c1[O-] ZINC000160433719 455457904 /nfs/dbraw/zinc/45/79/04/455457904.db2.gz UZGJEKMZAONSEB-UHFFFAOYSA-N -1 3 339.351 3.477 10 70 EGIEHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160391160 455453782 /nfs/dbraw/zinc/45/37/82/455453782.db2.gz ZSVKCCOKIYDZQE-KGLIPLIRSA-N -1 3 338.367 3.124 10 70 EGIEHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160391160 455453785 /nfs/dbraw/zinc/45/37/85/455453785.db2.gz ZSVKCCOKIYDZQE-KGLIPLIRSA-N -1 3 338.367 3.124 10 70 EGIEHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160391160 455453792 /nfs/dbraw/zinc/45/37/92/455453792.db2.gz ZSVKCCOKIYDZQE-KGLIPLIRSA-N -1 3 338.367 3.124 10 70 EGIEHM O=C(NCCc1c[nH]c2ccc(F)cc12)NCc1ccc([O-])c(F)c1 ZINC000160236417 455440921 /nfs/dbraw/zinc/44/09/21/455440921.db2.gz NWINMYZYCUUIKG-UHFFFAOYSA-N -1 3 345.349 3.194 10 70 EGIEHM CC1(C)CCC[C@@H](CC(=O)NCCCNC(=O)c2cccc([O-])c2)C1 ZINC000160279023 455443812 /nfs/dbraw/zinc/44/38/12/455443812.db2.gz RTGQFBYXIDLKMC-HNNXBMFYSA-N -1 3 346.471 3.235 10 70 EGIEHM Cc1ccc(-c2nnc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)[n-]2)o1 ZINC000160415144 455455971 /nfs/dbraw/zinc/45/59/71/455455971.db2.gz CLJAVYWQMDEBSM-STQMWFEESA-N -1 3 326.331 3.254 10 70 EGIEHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)n2)o1 ZINC000160415144 455455974 /nfs/dbraw/zinc/45/59/74/455455974.db2.gz CLJAVYWQMDEBSM-STQMWFEESA-N -1 3 326.331 3.254 10 70 EGIEHM Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)n[n-]2)o1 ZINC000160415144 455455977 /nfs/dbraw/zinc/45/59/77/455455977.db2.gz CLJAVYWQMDEBSM-STQMWFEESA-N -1 3 326.331 3.254 10 70 EGIEHM COc1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc(OC)c1[O-] ZINC000159528975 206249809 /nfs/dbraw/zinc/24/98/09/206249809.db2.gz HLTRLWBBHIYZJS-GHMZBOCLSA-N -1 3 347.333 3.260 10 70 EGIEHM CC[C@H]([N-]S(=O)(=O)c1ccc(SC)cc1)c1nccs1 ZINC000159957313 455418557 /nfs/dbraw/zinc/41/85/57/455418557.db2.gz PSAGBOZDNXECQX-LBPRGKRZSA-N -1 3 328.484 3.295 10 70 EGIEHM CC[C@@H]([N-]S(=O)(=O)c1cccc2c1N=S=N2)c1nccs1 ZINC000159916234 455415575 /nfs/dbraw/zinc/41/55/75/455415575.db2.gz UTRBZHORXDQPJC-MRVPVSSYSA-N -1 3 340.455 3.299 10 70 EGIEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc(Cl)n3)cc2)n1 ZINC000161130603 455538274 /nfs/dbraw/zinc/53/82/74/455538274.db2.gz CGCXYPURHBVEPR-UHFFFAOYSA-N -1 3 340.770 3.046 10 70 EGIEHM CCOc1ccccc1CCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160417062 455457093 /nfs/dbraw/zinc/45/70/93/455457093.db2.gz ZOBMXIYCJCGTQH-UHFFFAOYSA-N -1 3 340.383 3.343 10 70 EGIEHM CCOc1ccccc1CCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160417062 455457094 /nfs/dbraw/zinc/45/70/94/455457094.db2.gz ZOBMXIYCJCGTQH-UHFFFAOYSA-N -1 3 340.383 3.343 10 70 EGIEHM CCOc1ccccc1CCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160417062 455457098 /nfs/dbraw/zinc/45/70/98/455457098.db2.gz ZOBMXIYCJCGTQH-UHFFFAOYSA-N -1 3 340.383 3.343 10 70 EGIEHM COc1cc(C(=O)N(C)Cc2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000160963416 455518688 /nfs/dbraw/zinc/51/86/88/455518688.db2.gz CJQRCCQXJXZEBW-UHFFFAOYSA-N -1 3 335.787 3.335 10 70 EGIEHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1nccs1 ZINC000159940343 455417522 /nfs/dbraw/zinc/41/75/22/455417522.db2.gz FVWAORFVIUAONV-JTQLQIEISA-N -1 3 334.825 3.365 10 70 EGIEHM Cc1cc(Cl)cc(NC(=O)[C@H](C)Oc2cccc(CO)c2)c1[O-] ZINC000160492706 307890587 /nfs/dbraw/zinc/89/05/87/307890587.db2.gz YSCSVCJKNBAVAX-NSHDSACASA-N -1 3 335.787 3.252 10 70 EGIEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(Cl)c1)c1nccs1 ZINC000159973753 455418886 /nfs/dbraw/zinc/41/88/86/455418886.db2.gz MLCWPPXSWBMJDY-LLVKDONJSA-N -1 3 334.825 3.365 10 70 EGIEHM Cc1cc(S(=O)(=O)[N-]CCc2ccccc2O)c(Cl)cc1F ZINC000159654800 455393376 /nfs/dbraw/zinc/39/33/76/455393376.db2.gz IAAHDUNKWJBDTO-UHFFFAOYSA-N -1 3 343.807 3.014 10 70 EGIEHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000159722823 533422469 /nfs/dbraw/zinc/42/24/69/533422469.db2.gz NPTOALXYLSQVOG-UONOGXRCSA-N -1 3 336.457 3.213 10 70 EGIEHM COc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)c1[O-] ZINC000216710567 266193344 /nfs/dbraw/zinc/19/33/44/266193344.db2.gz FSIWUAYNHLQPTH-HNNXBMFYSA-N -1 3 348.830 3.087 10 70 EGIEHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1OC(F)F)c1nccs1 ZINC000159910453 307881828 /nfs/dbraw/zinc/88/18/28/307881828.db2.gz SXSLBOCEMIKTNW-SECBINFHSA-N -1 3 348.396 3.174 10 70 EGIEHM CO[C@H](C)c1nc(C)c(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)s1 ZINC000160172469 455434305 /nfs/dbraw/zinc/43/43/05/455434305.db2.gz QRHZOQRUALTKTO-SECBINFHSA-N -1 3 347.400 3.098 10 70 EGIEHM CO[C@H](C)c1nc(C)c(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)s1 ZINC000160172469 455434309 /nfs/dbraw/zinc/43/43/09/455434309.db2.gz QRHZOQRUALTKTO-SECBINFHSA-N -1 3 347.400 3.098 10 70 EGIEHM COc1cccc(C(=O)N2CC=C(c3ccccc3F)CC2)c1[O-] ZINC000160310947 455447472 /nfs/dbraw/zinc/44/74/72/455447472.db2.gz JQHKHIUDRMMSFD-UHFFFAOYSA-N -1 3 327.355 3.469 10 70 EGIEHM CC[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1nccs1 ZINC000161116078 455536471 /nfs/dbraw/zinc/53/64/71/455536471.db2.gz AATGRYAODJQBKQ-NSHDSACASA-N -1 3 340.408 3.367 10 70 EGIEHM Cc1ccc(-c2nnc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)[n-]2)o1 ZINC000160414921 455456292 /nfs/dbraw/zinc/45/62/92/455456292.db2.gz CLJAVYWQMDEBSM-OLZOCXBDSA-N -1 3 326.331 3.254 10 70 EGIEHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)n2)o1 ZINC000160414921 455456294 /nfs/dbraw/zinc/45/62/94/455456294.db2.gz CLJAVYWQMDEBSM-OLZOCXBDSA-N -1 3 326.331 3.254 10 70 EGIEHM Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)n[n-]2)o1 ZINC000160414921 455456301 /nfs/dbraw/zinc/45/63/01/455456301.db2.gz CLJAVYWQMDEBSM-OLZOCXBDSA-N -1 3 326.331 3.254 10 70 EGIEHM CO[C@H](C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)c1ccccc1 ZINC000161168567 455542818 /nfs/dbraw/zinc/54/28/18/455542818.db2.gz SXUIHRHPCSTRGS-SFHVURJKSA-N -1 3 349.390 3.072 10 70 EGIEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@@H](C)c3ccncc3)cc2)n1 ZINC000160236768 546944440 /nfs/dbraw/zinc/94/44/40/546944440.db2.gz WKSBUTRDUHBDED-CYBMUJFWSA-N -1 3 348.406 3.273 10 70 EGIEHM COc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)c1[O-] ZINC000216710614 266193227 /nfs/dbraw/zinc/19/32/27/266193227.db2.gz FSIWUAYNHLQPTH-OAHLLOKOSA-N -1 3 348.830 3.087 10 70 EGIEHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160391359 455453991 /nfs/dbraw/zinc/45/39/91/455453991.db2.gz ZSVKCCOKIYDZQE-KBPBESRZSA-N -1 3 338.367 3.124 10 70 EGIEHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160391359 455453994 /nfs/dbraw/zinc/45/39/94/455453994.db2.gz ZSVKCCOKIYDZQE-KBPBESRZSA-N -1 3 338.367 3.124 10 70 EGIEHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160391359 455453997 /nfs/dbraw/zinc/45/39/97/455453997.db2.gz ZSVKCCOKIYDZQE-KBPBESRZSA-N -1 3 338.367 3.124 10 70 EGIEHM Cc1ccc(-c2nnc(NC(=O)CSc3ccccc3C)[n-]2)o1 ZINC000160242992 455442011 /nfs/dbraw/zinc/44/20/11/455442011.db2.gz LRYVEKDGDCALJU-UHFFFAOYSA-N -1 3 328.397 3.412 10 70 EGIEHM Cc1ccc(-c2n[n-]c(NC(=O)CSc3ccccc3C)n2)o1 ZINC000160242992 455442013 /nfs/dbraw/zinc/44/20/13/455442013.db2.gz LRYVEKDGDCALJU-UHFFFAOYSA-N -1 3 328.397 3.412 10 70 EGIEHM Cc1ccc(-c2nc(NC(=O)CSc3ccccc3C)n[n-]2)o1 ZINC000160242992 455442017 /nfs/dbraw/zinc/44/20/17/455442017.db2.gz LRYVEKDGDCALJU-UHFFFAOYSA-N -1 3 328.397 3.412 10 70 EGIEHM CC[C@@H]([N-]S(=O)(=O)c1cccc2cc(C)cnc21)c1nccs1 ZINC000159977817 307883043 /nfs/dbraw/zinc/88/30/43/307883043.db2.gz OFFSLILFWPAGJA-CYBMUJFWSA-N -1 3 347.465 3.429 10 70 EGIEHM Cc1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c(C)n1 ZINC000161158874 455542162 /nfs/dbraw/zinc/54/21/62/455542162.db2.gz WBCFODWLUIDRBH-UHFFFAOYSA-N -1 3 334.379 3.009 10 70 EGIEHM COc1cc(C(=O)N[C@H]2CCCc3ccccc32)cc(OC)c1[O-] ZINC000160363452 225396504 /nfs/dbraw/zinc/39/65/04/225396504.db2.gz HLYVJMTWVBKASS-HNNXBMFYSA-N -1 3 327.380 3.217 10 70 EGIEHM Cc1cnn(-c2ccc(C(=O)Nc3nnc(-c4ccc(C)o4)[n-]3)cc2)c1 ZINC000160219040 455439286 /nfs/dbraw/zinc/43/92/86/455439286.db2.gz VJCQWENUYYBIJU-UHFFFAOYSA-N -1 3 348.366 3.120 10 70 EGIEHM Cc1cnn(-c2ccc(C(=O)Nc3nc(-c4ccc(C)o4)n[n-]3)cc2)c1 ZINC000160219040 455439289 /nfs/dbraw/zinc/43/92/89/455439289.db2.gz VJCQWENUYYBIJU-UHFFFAOYSA-N -1 3 348.366 3.120 10 70 EGIEHM Cc1cnn(-c2ccc(C(=O)Nc3n[n-]c(-c4ccc(C)o4)n3)cc2)c1 ZINC000160219040 455439290 /nfs/dbraw/zinc/43/92/90/455439290.db2.gz VJCQWENUYYBIJU-UHFFFAOYSA-N -1 3 348.366 3.120 10 70 EGIEHM COc1cccc(C(=O)NCCOCc2ccc(Cl)cc2)c1[O-] ZINC000159715554 455397811 /nfs/dbraw/zinc/39/78/11/455397811.db2.gz DYXRFRJFKWMWMI-UHFFFAOYSA-N -1 3 335.787 3.001 10 70 EGIEHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2cc(OC)ccc2OC)n1 ZINC000160577573 455476655 /nfs/dbraw/zinc/47/66/55/455476655.db2.gz XCWRBQAFVRFEJO-INIZCTEOSA-N -1 3 343.427 3.099 10 70 EGIEHM Cc1ccc(-c2nnc(NC(=O)C[C@@H]3CCOc4ccccc43)[n-]2)o1 ZINC000160276278 455443519 /nfs/dbraw/zinc/44/35/19/455443519.db2.gz WPZDFAPKUIWYJZ-LBPRGKRZSA-N -1 3 338.367 3.268 10 70 EGIEHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@@H]3CCOc4ccccc43)n2)o1 ZINC000160276278 455443525 /nfs/dbraw/zinc/44/35/25/455443525.db2.gz WPZDFAPKUIWYJZ-LBPRGKRZSA-N -1 3 338.367 3.268 10 70 EGIEHM Cc1ccc(-c2nc(NC(=O)C[C@@H]3CCOc4ccccc43)n[n-]2)o1 ZINC000160276278 455443531 /nfs/dbraw/zinc/44/35/31/455443531.db2.gz WPZDFAPKUIWYJZ-LBPRGKRZSA-N -1 3 338.367 3.268 10 70 EGIEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@H](C)c3ccncc3)cc2)n1 ZINC000160236914 546944550 /nfs/dbraw/zinc/94/45/50/546944550.db2.gz WKSBUTRDUHBDED-ZDUSSCGKSA-N -1 3 348.406 3.273 10 70 EGIEHM CC[C@@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)c1nccs1 ZINC000159943185 455417652 /nfs/dbraw/zinc/41/76/52/455417652.db2.gz CDYQVTYSWAPFKL-CQSZACIVSA-N -1 3 347.465 3.262 10 70 EGIEHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)[n-]2)o1 ZINC000160415021 455456179 /nfs/dbraw/zinc/45/61/79/455456179.db2.gz CLJAVYWQMDEBSM-QWHCGFSZSA-N -1 3 326.331 3.254 10 70 EGIEHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)n2)o1 ZINC000160415021 455456182 /nfs/dbraw/zinc/45/61/82/455456182.db2.gz CLJAVYWQMDEBSM-QWHCGFSZSA-N -1 3 326.331 3.254 10 70 EGIEHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)n[n-]2)o1 ZINC000160415021 455456187 /nfs/dbraw/zinc/45/61/87/455456187.db2.gz CLJAVYWQMDEBSM-QWHCGFSZSA-N -1 3 326.331 3.254 10 70 EGIEHM Cc1cc(Cl)cc(NC(=O)Cn2cc(-c3ccccc3)nn2)c1[O-] ZINC000160937869 455515719 /nfs/dbraw/zinc/51/57/19/455515719.db2.gz RJKYSQPLIHYKIA-UHFFFAOYSA-N -1 3 342.786 3.251 10 70 EGIEHM CN(C)C(=O)[C@@H](Cc1ccccc1)[N-]c1nc2cc(F)ccc2o1 ZINC000161334970 455559720 /nfs/dbraw/zinc/55/97/20/455559720.db2.gz QRODGUGKZPNNEZ-OAHLLOKOSA-N -1 3 327.359 3.078 10 70 EGIEHM CC1(C)CCC[C@H](CC(=O)NCCCNC(=O)c2cccc([O-])c2)C1 ZINC000160278901 307887300 /nfs/dbraw/zinc/88/73/00/307887300.db2.gz RTGQFBYXIDLKMC-OAHLLOKOSA-N -1 3 346.471 3.235 10 70 EGIEHM CCc1cccc(CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000161253240 307900721 /nfs/dbraw/zinc/90/07/21/307900721.db2.gz NSGYVJDULCGROU-UHFFFAOYSA-N -1 3 347.418 3.489 10 70 EGIEHM COc1ccc([O-])c(C(=O)N2CC=C(c3ccccc3F)CC2)c1 ZINC000160322922 455448131 /nfs/dbraw/zinc/44/81/31/455448131.db2.gz LEZVTVORXYFLHY-UHFFFAOYSA-N -1 3 327.355 3.469 10 70 EGIEHM O=C(CCC(=O)c1ccc2c(c1)CCCC2)[N-]OCc1cccnc1 ZINC000160745252 455493985 /nfs/dbraw/zinc/49/39/85/455493985.db2.gz LIFACNXSIWAEIK-UHFFFAOYSA-N -1 3 338.407 3.171 10 70 EGIEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CSCCC(C)C)cc2)n1 ZINC000161148299 455540512 /nfs/dbraw/zinc/54/05/12/455540512.db2.gz UFZZCCNQBXTVFI-UHFFFAOYSA-N -1 3 345.468 3.463 10 70 EGIEHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@H]3c3cc(F)ccc3F)[n-]2)o1 ZINC000160210091 455438481 /nfs/dbraw/zinc/43/84/81/455438481.db2.gz ZOUKLZJTKHNNPW-CMPLNLGQSA-N -1 3 344.321 3.394 10 70 EGIEHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3C[C@H]3c3cc(F)ccc3F)n2)o1 ZINC000160210091 455438484 /nfs/dbraw/zinc/43/84/84/455438484.db2.gz ZOUKLZJTKHNNPW-CMPLNLGQSA-N -1 3 344.321 3.394 10 70 EGIEHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@H]3c3cc(F)ccc3F)n[n-]2)o1 ZINC000160210091 455438486 /nfs/dbraw/zinc/43/84/86/455438486.db2.gz ZOUKLZJTKHNNPW-CMPLNLGQSA-N -1 3 344.321 3.394 10 70 EGIEHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(Cl)c1)c1nccs1 ZINC000159973645 455419419 /nfs/dbraw/zinc/41/94/19/455419419.db2.gz MLCWPPXSWBMJDY-NSHDSACASA-N -1 3 334.825 3.365 10 70 EGIEHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2cc(OC)ccc2OC)n1 ZINC000160577436 455476785 /nfs/dbraw/zinc/47/67/85/455476785.db2.gz XCWRBQAFVRFEJO-MRXNPFEDSA-N -1 3 343.427 3.099 10 70 EGIEHM CCc1ncc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)s1 ZINC000161143328 455539040 /nfs/dbraw/zinc/53/90/40/455539040.db2.gz DCXTULVPLYSLAS-UHFFFAOYSA-N -1 3 340.408 3.017 10 70 EGIEHM CN(C)C(=O)[C@H](Cc1ccccc1)[N-]c1nc2cc(F)ccc2o1 ZINC000161335085 455559699 /nfs/dbraw/zinc/55/96/99/455559699.db2.gz QRODGUGKZPNNEZ-HNNXBMFYSA-N -1 3 327.359 3.078 10 70 EGIEHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000159722681 533423464 /nfs/dbraw/zinc/42/34/64/533423464.db2.gz NPTOALXYLSQVOG-KGLIPLIRSA-N -1 3 336.457 3.213 10 70 EGIEHM O=C(CCc1cc2ccccc2[nH]c1=O)Nc1cc(Cl)ccc1[O-] ZINC000159412928 307873231 /nfs/dbraw/zinc/87/32/31/307873231.db2.gz RTRBRQMPJTXCRJ-UHFFFAOYSA-N -1 3 342.782 3.458 10 70 EGIEHM CC[C@H]([N-]S(=O)(=O)c1cccc2c1N=S=N2)c1nccs1 ZINC000159916118 455415837 /nfs/dbraw/zinc/41/58/37/455415837.db2.gz UTRBZHORXDQPJC-QMMMGPOBSA-N -1 3 340.455 3.299 10 70 EGIEHM Cc1ccc(-c2nnc(NC(=O)c3cc(C)n(-c4ccccc4)n3)[n-]2)o1 ZINC000160430029 455458019 /nfs/dbraw/zinc/45/80/19/455458019.db2.gz FTLKFFVMTCESSU-UHFFFAOYSA-N -1 3 348.366 3.120 10 70 EGIEHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(C)n(-c4ccccc4)n3)n2)o1 ZINC000160430029 455458020 /nfs/dbraw/zinc/45/80/20/455458020.db2.gz FTLKFFVMTCESSU-UHFFFAOYSA-N -1 3 348.366 3.120 10 70 EGIEHM Cc1ccc(-c2nc(NC(=O)c3cc(C)n(-c4ccccc4)n3)n[n-]2)o1 ZINC000160430029 455458022 /nfs/dbraw/zinc/45/80/22/455458022.db2.gz FTLKFFVMTCESSU-UHFFFAOYSA-N -1 3 348.366 3.120 10 70 EGIEHM CC[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)c1nccs1 ZINC000159933169 455416399 /nfs/dbraw/zinc/41/63/99/455416399.db2.gz UGMYIPGOOBXCMI-LLVKDONJSA-N -1 3 346.861 3.235 10 70 EGIEHM COc1cc(C(=O)Nc2ccc3oc(C)nc3c2)cc(OC)c1[O-] ZINC000161131634 307898895 /nfs/dbraw/zinc/89/88/95/307898895.db2.gz QOTZBGSUVHAJAP-UHFFFAOYSA-N -1 3 328.324 3.111 10 70 EGIEHM CCOc1cc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)ccc1C ZINC000160425717 455458045 /nfs/dbraw/zinc/45/80/45/455458045.db2.gz POPKWBKSJRNAFS-UHFFFAOYSA-N -1 3 326.356 3.333 10 70 EGIEHM CCOc1cc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)ccc1C ZINC000160425717 455458046 /nfs/dbraw/zinc/45/80/46/455458046.db2.gz POPKWBKSJRNAFS-UHFFFAOYSA-N -1 3 326.356 3.333 10 70 EGIEHM CCOc1cc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)ccc1C ZINC000160425717 455458047 /nfs/dbraw/zinc/45/80/47/455458047.db2.gz POPKWBKSJRNAFS-UHFFFAOYSA-N -1 3 326.356 3.333 10 70 EGIEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2)n1 ZINC000161173595 455543990 /nfs/dbraw/zinc/54/39/90/455543990.db2.gz NCKYEYFCHBPKBB-UHFFFAOYSA-N -1 3 344.374 3.479 10 70 EGIEHM