smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc2c(c1)[C@H](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)N2 ZINC000769807000 1078571933 /nfs/dbraw/zinc/57/19/33/1078571933.db2.gz XRUZNTGTHVJXAC-AWEZNQCLSA-N -1 3 417.487 2.182 20 10 HECDHM CCOC(=O)CN(CCc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769813755 1078574225 /nfs/dbraw/zinc/57/42/25/1078574225.db2.gz BTNLUIJVIRAAEQ-UHFFFAOYSA-N -1 3 420.487 2.012 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2noc(C3CC3)n2)c1 ZINC000769896208 1078618521 /nfs/dbraw/zinc/61/85/21/1078618521.db2.gz UOWXPKFZMGBUER-AWEZNQCLSA-N -1 3 406.464 2.392 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CCc2ccccc2)[C@H]2CCOC2)c1 ZINC000769966763 1078656659 /nfs/dbraw/zinc/65/66/59/1078656659.db2.gz XHQCZIQQNMVSLK-KRWDZBQOSA-N -1 3 404.488 2.238 20 10 HECDHM CC(C)(C)OC(=O)C1CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000770265853 1078798031 /nfs/dbraw/zinc/79/80/31/1078798031.db2.gz RUHILELPEUCKCA-UHFFFAOYSA-N -1 3 412.508 2.394 20 10 HECDHM C[C@H]1CN(Cc2cccc(Br)c2[O-])CCN1c1nccn2cnnc12 ZINC000770279878 1078805108 /nfs/dbraw/zinc/80/51/08/1078805108.db2.gz IDDHILNBIICOBQ-LBPRGKRZSA-N -1 3 403.284 2.303 20 10 HECDHM COc1cc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccccc2n1 ZINC000743716642 1077095842 /nfs/dbraw/zinc/09/58/42/1077095842.db2.gz JFCPMDPCOVZDTJ-UHFFFAOYSA-N -1 3 401.444 2.251 20 10 HECDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(-n2cccn2)cc1 ZINC000743817469 1077134091 /nfs/dbraw/zinc/13/40/91/1077134091.db2.gz VLZLEYWLHRFMFF-ZDUSSCGKSA-N -1 3 400.460 2.440 20 10 HECDHM Cc1cc(C)n2nc(C(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4[O-])C3)nc2n1 ZINC000768910891 1080850928 /nfs/dbraw/zinc/85/09/28/1080850928.db2.gz BDCLPKZQHHTCNR-INIZCTEOSA-N -1 3 414.897 2.495 20 10 HECDHM O=C(CS(=O)(=O)C1CCCC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768915340 1080854785 /nfs/dbraw/zinc/85/47/85/1080854785.db2.gz KIRZNJZBROYFAV-MRXNPFEDSA-N -1 3 414.955 2.484 20 10 HECDHM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)Cc2cccc(Br)c2[O-])C1 ZINC000769304683 1081037284 /nfs/dbraw/zinc/03/72/84/1081037284.db2.gz BGHRLINYVSWBJS-CQSZACIVSA-N -1 3 413.312 2.388 20 10 HECDHM CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769652798 1078488703 /nfs/dbraw/zinc/48/87/03/1078488703.db2.gz MEKDJZDMFQANMR-UHFFFAOYSA-N -1 3 423.466 2.392 20 10 HECDHM COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769741913 1078555362 /nfs/dbraw/zinc/55/53/62/1078555362.db2.gz PJCPEVZNMXHFNR-AWEZNQCLSA-N -1 3 420.487 2.215 20 10 HECDHM Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769895605 1078615796 /nfs/dbraw/zinc/61/57/96/1078615796.db2.gz DPXUPXNVUVSXIR-UHFFFAOYSA-N -1 3 419.503 2.157 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2noc(C3CC3)n2)c1 ZINC000769896211 1078618478 /nfs/dbraw/zinc/61/84/78/1078618478.db2.gz UOWXPKFZMGBUER-CQSZACIVSA-N -1 3 406.464 2.392 20 10 HECDHM COC(=O)CCCN(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000770036169 1078698747 /nfs/dbraw/zinc/69/87/47/1078698747.db2.gz IIWKISYLMUKAOV-UHFFFAOYSA-N -1 3 420.487 2.359 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000770886360 1079061047 /nfs/dbraw/zinc/06/10/47/1079061047.db2.gz VRSSCXJLBMPMSB-AWEZNQCLSA-N -1 3 418.393 2.246 20 10 HECDHM O=C1c2ccccc2C(=O)N1C[C@H]1CN(Cc2c([O-])ccc3ccncc32)CCO1 ZINC000771173249 1079208973 /nfs/dbraw/zinc/20/89/73/1079208973.db2.gz NOZTZRRHRFEKME-MRXNPFEDSA-N -1 3 403.438 2.437 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)c1 ZINC001169725700 1079379176 /nfs/dbraw/zinc/37/91/76/1079379176.db2.gz KLEAXUYXOKCGCT-UHFFFAOYSA-N -1 3 417.802 2.394 20 10 HECDHM CCN(Cc1nc(CS(C)(=O)=O)no1)Cc1cc(Br)ccc1[O-] ZINC000743871149 1077155753 /nfs/dbraw/zinc/15/57/53/1077155753.db2.gz SEKACTQMCXFANJ-UHFFFAOYSA-N -1 3 404.286 2.104 20 10 HECDHM COC(=O)CN(CC(=O)NCc1cccc(OC)c1)Cc1cc(Cl)ccc1[O-] ZINC000744401613 1077380721 /nfs/dbraw/zinc/38/07/21/1077380721.db2.gz FJAZKLHXGVSFRS-UHFFFAOYSA-N -1 3 406.866 2.346 20 10 HECDHM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769618591 1081176104 /nfs/dbraw/zinc/17/61/04/1081176104.db2.gz XDJMXYSMWSNFEN-ZDUSSCGKSA-N -1 3 415.475 2.178 20 10 HECDHM CCN(Cc1ccc(OC)cc1OC)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769672445 1078512066 /nfs/dbraw/zinc/51/20/66/1078512066.db2.gz UXZQULSIIBAAJJ-UHFFFAOYSA-N -1 3 408.476 2.443 20 10 HECDHM COC(=O)Nc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1[O-] ZINC000745652612 1078578194 /nfs/dbraw/zinc/57/81/94/1078578194.db2.gz LJJRLHYSNRRRQT-UHFFFAOYSA-N -1 3 415.446 2.452 20 10 HECDHM Cc1nn(C)c(C)c1[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(F)(F)F ZINC000769937802 1078665302 /nfs/dbraw/zinc/66/53/02/1078665302.db2.gz JLEVMMXOEYTFCJ-AWEZNQCLSA-N -1 3 420.413 2.147 20 10 HECDHM CCOC(=O)c1nc(C2CCN(C(=O)NCc3ccc(N(C)C)cc3C)CC2)n[n-]1 ZINC000770630061 1078922064 /nfs/dbraw/zinc/92/20/64/1078922064.db2.gz MHSVNPWQJYNNPP-UHFFFAOYSA-N -1 3 414.510 2.445 20 10 HECDHM CCOC(=O)c1nnc(C2CCN(C(=O)NCc3ccc(N(C)C)cc3C)CC2)[n-]1 ZINC000770630061 1078922066 /nfs/dbraw/zinc/92/20/66/1078922066.db2.gz MHSVNPWQJYNNPP-UHFFFAOYSA-N -1 3 414.510 2.445 20 10 HECDHM CC(C)(C)OC(=O)CCCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000743761086 1077104006 /nfs/dbraw/zinc/10/40/06/1077104006.db2.gz YMXQMTNGVSMXPX-UHFFFAOYSA-N -1 3 400.497 2.396 20 10 HECDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1nc(-c2cccc(F)c2)no1 ZINC000743800149 1077122575 /nfs/dbraw/zinc/12/25/75/1077122575.db2.gz SSOCYDJYTHIWGP-JTQLQIEISA-N -1 3 420.422 2.444 20 10 HECDHM CC(C)(C)S(=O)(=O)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000767796280 1080099309 /nfs/dbraw/zinc/09/93/09/1080099309.db2.gz QZZNOGQGTGWNQQ-OAHLLOKOSA-N -1 3 402.944 2.340 20 10 HECDHM CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000768296968 1080468237 /nfs/dbraw/zinc/46/82/37/1080468237.db2.gz VBDWBMDRDIHKPF-UHFFFAOYSA-N -1 3 415.265 2.162 20 10 HECDHM CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768912821 1080853762 /nfs/dbraw/zinc/85/37/62/1080853762.db2.gz RHQWXVFGMJNZRQ-MRXNPFEDSA-N -1 3 402.944 2.197 20 10 HECDHM COC(=O)CN(Cc1c(C)nn(C)c1N1CCOCC1)Cc1cc(Cl)ccc1[O-] ZINC000769380285 1081058201 /nfs/dbraw/zinc/05/82/01/1081058201.db2.gz RGQPONBARMKXQF-UHFFFAOYSA-N -1 3 422.913 2.099 20 10 HECDHM COc1cccc(CNC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)c1O ZINC000769497961 1081097313 /nfs/dbraw/zinc/09/73/13/1081097313.db2.gz GMIRTWXMJPTOFS-UHFFFAOYSA-N -1 3 412.414 2.050 20 10 HECDHM COC(=O)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cc(C)cc(C)c1 ZINC000769631712 1081149184 /nfs/dbraw/zinc/14/91/84/1081149184.db2.gz YMKIHWVDTFZMSA-QGZVFWFLSA-N -1 3 406.460 2.025 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000770073950 1078709960 /nfs/dbraw/zinc/70/99/60/1078709960.db2.gz QDGIQVPUFKLOPY-UHFFFAOYSA-N -1 3 405.432 2.477 20 10 HECDHM O=S(=O)([N-]Cc1ccc(N2CCOCC2)cc1)c1cnccc1C(F)(F)F ZINC000785487338 1079349392 /nfs/dbraw/zinc/34/93/92/1079349392.db2.gz FLDVONVGYCFVHJ-UHFFFAOYSA-N -1 3 401.410 2.416 20 10 HECDHM COCCCOC1CCN(Cc2cc(C(C)=O)cc(CN3CCOCC3)c2[O-])CC1 ZINC000742153763 1076767885 /nfs/dbraw/zinc/76/78/85/1076767885.db2.gz XSBYMZKWHDHXGF-UHFFFAOYSA-N -1 3 420.550 2.445 20 10 HECDHM Cc1ccc(C)c(N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CC2)c1 ZINC000768289423 1080461475 /nfs/dbraw/zinc/46/14/75/1080461475.db2.gz ZDHAPHUWEKUODU-UHFFFAOYSA-N -1 3 403.504 2.343 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](Cn2cccn2)c2ccccc2)c1 ZINC000769908210 1078629557 /nfs/dbraw/zinc/62/95/57/1078629557.db2.gz MJAZBFAGRWRYDU-QGZVFWFLSA-N -1 3 400.460 2.132 20 10 HECDHM COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769935616 1078663936 /nfs/dbraw/zinc/66/39/36/1078663936.db2.gz RGHRRHNONZGIJU-YOEHRIQHSA-N -1 3 424.519 2.348 20 10 HECDHM O=C1c2ccccc2C(=O)N1C[C@@H]1CN(Cc2c([O-])ccc3ccncc32)CCO1 ZINC000771173247 1079208613 /nfs/dbraw/zinc/20/86/13/1079208613.db2.gz NOZTZRRHRFEKME-INIZCTEOSA-N -1 3 403.438 2.437 20 10 HECDHM Cn1c2ccccc2nc1C(C)(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000771492972 1079357749 /nfs/dbraw/zinc/35/77/49/1079357749.db2.gz BUUKLLGSGVNZQX-UHFFFAOYSA-N -1 3 402.476 2.316 20 10 HECDHM COC(=O)CN(CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1)Cc1cc(Cl)ccc1[O-] ZINC000741785015 1076626259 /nfs/dbraw/zinc/62/62/59/1076626259.db2.gz MHVLBNRPJWITIU-ZDUSSCGKSA-N -1 3 420.897 2.249 20 10 HECDHM CS(=O)(=O)CC1(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000768913198 1080853084 /nfs/dbraw/zinc/85/30/84/1080853084.db2.gz WITPBIGNRIACET-MRXNPFEDSA-N -1 3 414.955 2.341 20 10 HECDHM CN(Cc1ccccc1O)C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000769282048 1081030146 /nfs/dbraw/zinc/03/01/46/1081030146.db2.gz IFHICKBAGCPWGT-UHFFFAOYSA-N -1 3 419.322 2.153 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000770086072 1078713451 /nfs/dbraw/zinc/71/34/51/1078713451.db2.gz ANRGKQQHHUGRDA-MRXNPFEDSA-N -1 3 420.487 2.291 20 10 HECDHM CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000741679112 1076583745 /nfs/dbraw/zinc/58/37/45/1076583745.db2.gz KCECIKJAODKKGG-SFHVURJKSA-N -1 3 407.470 2.458 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](COCc3ccccc3)C2)c1 ZINC000743718695 1077096306 /nfs/dbraw/zinc/09/63/06/1077096306.db2.gz QUDZYEFFCBDPEO-INIZCTEOSA-N -1 3 404.488 2.443 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000768285452 1080458595 /nfs/dbraw/zinc/45/85/95/1080458595.db2.gz IOCLWTGDGNWGHB-UHFFFAOYSA-N -1 3 423.922 2.375 20 10 HECDHM Cc1ccnc2nc(C(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4[O-])C3)nn21 ZINC000768914471 1080853819 /nfs/dbraw/zinc/85/38/19/1080853819.db2.gz DCKKVOWHFALNBY-HNNXBMFYSA-N -1 3 400.870 2.186 20 10 HECDHM Cc1ccc(S(=O)(=O)NCCN2CCN(Cc3c([O-])cccc3Cl)CC2)cc1 ZINC000769379797 1081057898 /nfs/dbraw/zinc/05/78/98/1081057898.db2.gz NBJLNJVFKBLMEB-UHFFFAOYSA-N -1 3 423.966 2.450 20 10 HECDHM CCOC(=O)C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(F)cc1 ZINC000769732083 1078519884 /nfs/dbraw/zinc/51/98/84/1078519884.db2.gz FXIJAOMTNOCUJT-INIZCTEOSA-N -1 3 424.450 2.327 20 10 HECDHM CC(C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cn(-c2ccccc2)nn1 ZINC000769974792 1078670673 /nfs/dbraw/zinc/67/06/73/1078670673.db2.gz BEJVOWGMYTUQPT-UHFFFAOYSA-N -1 3 415.475 2.010 20 10 HECDHM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769937643 1078664279 /nfs/dbraw/zinc/66/42/79/1078664279.db2.gz SMKVRJCTLIWJCT-RYZVSIALSA-N -1 3 410.517 2.334 20 10 HECDHM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769937641 1078664417 /nfs/dbraw/zinc/66/44/17/1078664417.db2.gz SMKVRJCTLIWJCT-MZHQLVBMSA-N -1 3 410.517 2.334 20 10 HECDHM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H](C)CN1Cc1ccccc1 ZINC000770157025 1078758028 /nfs/dbraw/zinc/75/80/28/1078758028.db2.gz MGWFJSWTOGJLNV-CVEARBPZSA-N -1 3 417.531 2.499 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000770886361 1079061157 /nfs/dbraw/zinc/06/11/57/1079061157.db2.gz VRSSCXJLBMPMSB-CQSZACIVSA-N -1 3 418.393 2.246 20 10 HECDHM O=S(=O)([N-]c1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc2c(c1)CCCO2 ZINC000771606404 1079394383 /nfs/dbraw/zinc/39/43/83/1079394383.db2.gz GTYWCTZWUBJBOE-UHFFFAOYSA-N -1 3 422.528 2.047 20 10 HECDHM NC(=O)C1CCN(c2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)c2)CC1 ZINC000740609449 1076206362 /nfs/dbraw/zinc/20/63/62/1076206362.db2.gz LWONQPNNJLMGLW-UHFFFAOYSA-N -1 3 401.488 2.124 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H](O)c2c(F)cccc2Cl)c1 ZINC000741288552 1076457877 /nfs/dbraw/zinc/45/78/77/1076457877.db2.gz CJMRZPKIFPQKSO-AWEZNQCLSA-N -1 3 402.831 2.020 20 10 HECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000742952907 1076901814 /nfs/dbraw/zinc/90/18/14/1076901814.db2.gz UFWUIJJEYDCIFC-UHFFFAOYSA-N -1 3 419.478 2.372 20 10 HECDHM COc1ccc(N2CCN(CCC[N-]S(=O)(=O)c3nc(C)c(C)s3)CC2)cc1 ZINC000771934091 1079589872 /nfs/dbraw/zinc/58/98/72/1079589872.db2.gz VYOKZHNGVIAFMG-UHFFFAOYSA-N -1 3 424.592 2.259 20 10 HECDHM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)Cc2cccc(Br)c2[O-])C1 ZINC000769304681 1081037115 /nfs/dbraw/zinc/03/71/15/1081037115.db2.gz BGHRLINYVSWBJS-AWEZNQCLSA-N -1 3 413.312 2.388 20 10 HECDHM CCOC(=O)C1CCN(C(=O)CN(C)Cc2cccc(Br)c2[O-])CC1 ZINC000769306916 1081037815 /nfs/dbraw/zinc/03/78/15/1081037815.db2.gz VPXWVTXPGIKQKK-UHFFFAOYSA-N -1 3 413.312 2.388 20 10 HECDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCN(C(C)C)CC3)c2)cn1 ZINC000769672057 1078512505 /nfs/dbraw/zinc/51/25/05/1078512505.db2.gz MTBZPRPVPSAOAA-UHFFFAOYSA-N -1 3 418.519 2.199 20 10 HECDHM Cc1nc(C2(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CCCCCC2)no1 ZINC000769717339 1078534044 /nfs/dbraw/zinc/53/40/44/1078534044.db2.gz WONKVEZBHBPWNO-UHFFFAOYSA-N -1 3 408.480 2.435 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000769766693 1078546213 /nfs/dbraw/zinc/54/62/13/1078546213.db2.gz VLAKKQBTYPHUHV-HNNXBMFYSA-N -1 3 404.444 2.470 20 10 HECDHM CCCCNC(=O)C1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCCC1 ZINC000769749224 1078558803 /nfs/dbraw/zinc/55/88/03/1078558803.db2.gz LZKLHCZEGHXIFM-UHFFFAOYSA-N -1 3 411.524 2.113 20 10 HECDHM Cc1nn(C)c(C)c1[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(F)(F)F ZINC000769937803 1078665345 /nfs/dbraw/zinc/66/53/45/1078665345.db2.gz JLEVMMXOEYTFCJ-CQSZACIVSA-N -1 3 420.413 2.147 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC000770122624 1078739222 /nfs/dbraw/zinc/73/92/22/1078739222.db2.gz VJQVGXYLTSMERV-HNNXBMFYSA-N -1 3 414.487 2.418 20 10 HECDHM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H](C)CN1Cc1ccccc1 ZINC000770157030 1078758182 /nfs/dbraw/zinc/75/81/82/1078758182.db2.gz MGWFJSWTOGJLNV-HZPDHXFCSA-N -1 3 417.531 2.499 20 10 HECDHM Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771058129 1079119071 /nfs/dbraw/zinc/11/90/71/1079119071.db2.gz LLHVZGCRRZJOTJ-MRXNPFEDSA-N -1 3 404.898 2.359 20 10 HECDHM CC(=O)c1cc(F)cc(CN2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1[O-] ZINC000771302384 1079274825 /nfs/dbraw/zinc/27/48/25/1079274825.db2.gz PZZJMYBLHSGHLS-UHFFFAOYSA-N -1 3 404.463 2.311 20 10 HECDHM CCOC(=O)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc(C)c1C ZINC000771658360 1079427743 /nfs/dbraw/zinc/42/77/43/1079427743.db2.gz RRNBFIIDVGASMW-SFHVURJKSA-N -1 3 420.487 2.415 20 10 HECDHM CCc1ccc(CN2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CC2)s1 ZINC000738545927 1076000611 /nfs/dbraw/zinc/00/06/11/1076000611.db2.gz VLUQFXPKULTFSL-UHFFFAOYSA-N -1 3 423.560 2.346 20 10 HECDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1 ZINC000742028088 1076724050 /nfs/dbraw/zinc/72/40/50/1076724050.db2.gz QHXFBOSTZYPWDN-UHFFFAOYSA-N -1 3 411.505 2.232 20 10 HECDHM COc1ccc(N2CCN(CCNC(=O)c3cc(=O)c4ccccc4[n-]3)CC2)cc1 ZINC000742927623 1076898515 /nfs/dbraw/zinc/89/85/15/1076898515.db2.gz WDQQHBOXORUQQO-UHFFFAOYSA-N -1 3 406.486 2.089 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000743718699 1077096238 /nfs/dbraw/zinc/09/62/38/1077096238.db2.gz QUDZYEFFCBDPEO-MRXNPFEDSA-N -1 3 404.488 2.443 20 10 HECDHM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3cc(Cl)ccc3[O-])CC2)c1 ZINC000768154933 1080373469 /nfs/dbraw/zinc/37/34/69/1080373469.db2.gz CBYIODZKLYXODE-UHFFFAOYSA-N -1 3 411.867 2.460 20 10 HECDHM O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000768156030 1080375914 /nfs/dbraw/zinc/37/59/14/1080375914.db2.gz IZFGUJDXWFLOJG-UHFFFAOYSA-N -1 3 411.867 2.460 20 10 HECDHM CN1CCN(C(=O)CC2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)CC1 ZINC000769338552 1081048583 /nfs/dbraw/zinc/04/85/83/1081048583.db2.gz PMEULGULUCSNND-UHFFFAOYSA-N -1 3 410.902 2.330 20 10 HECDHM Cn1ccnc1[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc(F)c1 ZINC000769636808 1081155953 /nfs/dbraw/zinc/15/59/53/1081155953.db2.gz KIDSNVIIHUHTCG-QGZVFWFLSA-N -1 3 418.450 2.156 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000769782716 1078563524 /nfs/dbraw/zinc/56/35/24/1078563524.db2.gz MRYVVDNFMNIGMA-UHFFFAOYSA-N -1 3 408.451 2.339 20 10 HECDHM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000769806389 1078571399 /nfs/dbraw/zinc/57/13/99/1078571399.db2.gz TWBFQCGXIJHINH-QGZVFWFLSA-N -1 3 417.487 2.031 20 10 HECDHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3cccc4c3OCCO4)c2)CC1 ZINC000769848920 1078609193 /nfs/dbraw/zinc/60/91/93/1078609193.db2.gz RRJLPFHGFJESQU-UHFFFAOYSA-N -1 3 403.504 2.401 20 10 HECDHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3ccc(C(=O)OC)cc3)c2)CC1 ZINC000769848921 1078609291 /nfs/dbraw/zinc/60/92/91/1078609291.db2.gz RRUKZAZGQMCVQX-UHFFFAOYSA-N -1 3 403.504 2.416 20 10 HECDHM CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H](O)c1c(F)cccc1F ZINC000770043607 1078702022 /nfs/dbraw/zinc/70/20/22/1078702022.db2.gz YCRTXQRRGVNKGA-YOEHRIQHSA-N -1 3 414.430 2.284 20 10 HECDHM COc1ccc(N2CCN(CCCNC(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2)cc1 ZINC000770397004 1078841885 /nfs/dbraw/zinc/84/18/85/1078841885.db2.gz SUVZWDDEZBBXTG-UHFFFAOYSA-N -1 3 414.462 2.251 20 10 HECDHM CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000771164982 1079181289 /nfs/dbraw/zinc/18/12/89/1079181289.db2.gz ZSLCISXMRGCWQE-UHFFFAOYSA-N -1 3 415.512 2.084 20 10 HECDHM O=C([N-]Cc1ccccc1O)C(F)(F)C(F)(F)C(=O)NCc1ccccc1O ZINC000743328402 1077029370 /nfs/dbraw/zinc/02/93/70/1077029370.db2.gz UAHKWOOZPTXQTB-UHFFFAOYSA-N -1 3 400.328 2.301 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1 ZINC000744377363 1077375552 /nfs/dbraw/zinc/37/55/52/1077375552.db2.gz VOXKEXIOEYCDLR-UHFFFAOYSA-N -1 3 423.535 2.065 20 10 HECDHM Cn1ncc2c1ncnc2N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000768233883 1080434503 /nfs/dbraw/zinc/43/45/03/1080434503.db2.gz AKQATJLIALXGDY-UHFFFAOYSA-N -1 3 403.284 2.154 20 10 HECDHM COC(=O)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cc(C)cc(C)c1 ZINC000769631420 1081148428 /nfs/dbraw/zinc/14/84/28/1081148428.db2.gz YMKIHWVDTFZMSA-KRWDZBQOSA-N -1 3 406.460 2.025 20 10 HECDHM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H](COC)Cc1ccccc1 ZINC000769938571 1078665012 /nfs/dbraw/zinc/66/50/12/1078665012.db2.gz VSGJKGPZHZSGKA-KRWDZBQOSA-N -1 3 406.504 2.484 20 10 HECDHM COC(=O)[C@@H](C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000769941649 1078666387 /nfs/dbraw/zinc/66/63/87/1078666387.db2.gz GMVVQIUDCGXPMS-SJCJKPOMSA-N -1 3 406.460 2.044 20 10 HECDHM COC(=O)[C@H](C)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000769941651 1078666499 /nfs/dbraw/zinc/66/64/99/1078666499.db2.gz GMVVQIUDCGXPMS-SJKOYZFVSA-N -1 3 406.460 2.044 20 10 HECDHM NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccc([O-])c(F)c3)cc2)C1 ZINC000738987882 1076040176 /nfs/dbraw/zinc/04/01/76/1076040176.db2.gz ZQWQASACGXNTNF-INIZCTEOSA-N -1 3 400.454 2.232 20 10 HECDHM O=c1[nH]c2ccc(S(=O)(=O)N3CCN(Cc4cc(Cl)ccc4[O-])CC3)cc2[nH]1 ZINC000768218498 1080422259 /nfs/dbraw/zinc/42/22/59/1080422259.db2.gz PDDRGSMCSCXYEE-UHFFFAOYSA-N -1 3 422.894 2.134 20 10 HECDHM C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769618589 1081175827 /nfs/dbraw/zinc/17/58/27/1081175827.db2.gz XDJMXYSMWSNFEN-CYBMUJFWSA-N -1 3 415.475 2.178 20 10 HECDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc(-n2cccn2)c1 ZINC000769934197 1078663930 /nfs/dbraw/zinc/66/39/30/1078663930.db2.gz PKFGOMWTFUNDCL-ZDUSSCGKSA-N -1 3 400.460 2.440 20 10 HECDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc(-n2cccn2)c1 ZINC000769934194 1078663957 /nfs/dbraw/zinc/66/39/57/1078663957.db2.gz PKFGOMWTFUNDCL-CYBMUJFWSA-N -1 3 400.460 2.440 20 10 HECDHM COC(=O)CC[C@H](Cc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000770151513 1078730650 /nfs/dbraw/zinc/73/06/50/1078730650.db2.gz VPDKODGZLFMHEV-OAHLLOKOSA-N -1 3 420.487 2.058 20 10 HECDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000771067211 1079124323 /nfs/dbraw/zinc/12/43/23/1079124323.db2.gz SPUNYQAYAGFEAG-NZZOQPFGSA-N -1 3 406.910 2.368 20 10 HECDHM CCc1ccc(N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CC2)cc1 ZINC000743789340 1077129748 /nfs/dbraw/zinc/12/97/48/1077129748.db2.gz YULCNJFDPORRQD-UHFFFAOYSA-N -1 3 403.504 2.289 20 10 HECDHM CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCS[C@H]3COCC[C@@H]32)c1 ZINC000767784559 1080091116 /nfs/dbraw/zinc/09/11/16/1080091116.db2.gz DEHHXKFNCQMXBK-PMACEKPBSA-N -1 3 406.548 2.133 20 10 HECDHM C[C@H](Sc1nncn1C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768913280 1080853146 /nfs/dbraw/zinc/85/31/46/1080853146.db2.gz XSKFYNJXRJNGBN-SWLSCSKDSA-N -1 3 409.943 2.436 20 10 HECDHM O=C(CS(=O)(=O)C1CCCC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768915337 1080854778 /nfs/dbraw/zinc/85/47/78/1080854778.db2.gz KIRZNJZBROYFAV-INIZCTEOSA-N -1 3 414.955 2.484 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000769711531 1078532265 /nfs/dbraw/zinc/53/22/65/1078532265.db2.gz CBHNZSQDIXPGSB-IBGZPJMESA-N -1 3 418.471 2.416 20 10 HECDHM C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000770157032 1078758101 /nfs/dbraw/zinc/75/81/01/1078758101.db2.gz MGWFJSWTOGJLNV-JKSUJKDBSA-N -1 3 417.531 2.499 20 10 HECDHM CCOC(=O)c1nc(C2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)n[n-]1 ZINC000770684682 1078934655 /nfs/dbraw/zinc/93/46/55/1078934655.db2.gz YOSDPZPIHXZJSU-UHFFFAOYSA-N -1 3 424.505 2.447 20 10 HECDHM CCOC(=O)c1nnc(C2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)[n-]1 ZINC000770684682 1078934666 /nfs/dbraw/zinc/93/46/66/1078934666.db2.gz YOSDPZPIHXZJSU-UHFFFAOYSA-N -1 3 424.505 2.447 20 10 HECDHM CCOC(=O)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc(C)c1C ZINC000771658357 1079427671 /nfs/dbraw/zinc/42/76/71/1079427671.db2.gz RRNBFIIDVGASMW-GOSISDBHSA-N -1 3 420.487 2.415 20 10 HECDHM NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ccc([O-])c(F)c3)cc2)C1 ZINC000738987883 1076040088 /nfs/dbraw/zinc/04/00/88/1076040088.db2.gz ZQWQASACGXNTNF-MRXNPFEDSA-N -1 3 400.454 2.232 20 10 HECDHM CC(C)(C)S(=O)(=O)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000767796279 1080099268 /nfs/dbraw/zinc/09/92/68/1080099268.db2.gz QZZNOGQGTGWNQQ-HNNXBMFYSA-N -1 3 402.944 2.340 20 10 HECDHM CC(C)OCCS(=O)(=O)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000769556685 1081123832 /nfs/dbraw/zinc/12/38/32/1081123832.db2.gz LLSCUXSTWINFDM-UHFFFAOYSA-N -1 3 421.357 2.027 20 10 HECDHM CCOC(=O)C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(F)cc1 ZINC000769732085 1078519638 /nfs/dbraw/zinc/51/96/38/1078519638.db2.gz FXIJAOMTNOCUJT-MRXNPFEDSA-N -1 3 424.450 2.327 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000769711533 1078532454 /nfs/dbraw/zinc/53/24/54/1078532454.db2.gz CBHNZSQDIXPGSB-LJQANCHMSA-N -1 3 418.471 2.416 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000769766694 1078546301 /nfs/dbraw/zinc/54/63/01/1078546301.db2.gz VLAKKQBTYPHUHV-OAHLLOKOSA-N -1 3 404.444 2.470 20 10 HECDHM CCN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769783075 1078563421 /nfs/dbraw/zinc/56/34/21/1078563421.db2.gz COIPINMGGONRDF-AWEZNQCLSA-N -1 3 406.460 2.066 20 10 HECDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1 ZINC000745977829 1078715818 /nfs/dbraw/zinc/71/58/18/1078715818.db2.gz BGSUUZNGSYPKQD-UHFFFAOYSA-N -1 3 412.489 2.344 20 10 HECDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCN1c1nccn2cnnc12 ZINC000770280806 1078805812 /nfs/dbraw/zinc/80/58/12/1078805812.db2.gz MMSQHHSUTCDXTI-GFCCVEGCSA-N -1 3 403.284 2.303 20 10 HECDHM Cc1ccc(NC(=O)CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(Cl)c1 ZINC000746399246 1078896169 /nfs/dbraw/zinc/89/61/69/1078896169.db2.gz UUOCZLWFPIYIAG-UHFFFAOYSA-N -1 3 411.867 2.094 20 10 HECDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(-n2cccn2)cc1 ZINC000743817468 1077133393 /nfs/dbraw/zinc/13/33/93/1077133393.db2.gz VLZLEYWLHRFMFF-CYBMUJFWSA-N -1 3 400.460 2.440 20 10 HECDHM CN(C)c1cc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccccc2n1 ZINC000743820349 1077134249 /nfs/dbraw/zinc/13/42/49/1077134249.db2.gz CKZPYVHMCXIPDU-UHFFFAOYSA-N -1 3 414.487 2.308 20 10 HECDHM O=C(CSc1nnnn1C1CC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768911597 1080850870 /nfs/dbraw/zinc/85/08/70/1080850870.db2.gz FVMJCAHVCYBTTB-CQSZACIVSA-N -1 3 422.942 2.240 20 10 HECDHM CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000769710919 1078531580 /nfs/dbraw/zinc/53/15/80/1078531580.db2.gz LJWGRZRHFCYPKV-HNNXBMFYSA-N -1 3 406.460 2.416 20 10 HECDHM COC(=O)C(C)(C)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000770016661 1078687471 /nfs/dbraw/zinc/68/74/71/1078687471.db2.gz POARUVJYGNSMEX-KRWDZBQOSA-N -1 3 420.487 2.434 20 10 HECDHM COC(=O)C(C)(C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000770016662 1078687507 /nfs/dbraw/zinc/68/75/07/1078687507.db2.gz POARUVJYGNSMEX-QGZVFWFLSA-N -1 3 420.487 2.434 20 10 HECDHM Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771058053 1079119097 /nfs/dbraw/zinc/11/90/97/1079119097.db2.gz LLHVZGCRRZJOTJ-INIZCTEOSA-N -1 3 404.898 2.359 20 10 HECDHM O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000768154475 1080373600 /nfs/dbraw/zinc/37/36/00/1080373600.db2.gz AHQVVULTQJZRET-UHFFFAOYSA-N -1 3 411.867 2.460 20 10 HECDHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2ccccc2O)cc1F ZINC000769651773 1078486699 /nfs/dbraw/zinc/48/66/99/1078486699.db2.gz JSJCJFMLQBNVNT-UHFFFAOYSA-N -1 3 402.469 2.162 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2OCCn2ccnc2)c1 ZINC000769721487 1078535613 /nfs/dbraw/zinc/53/56/13/1078535613.db2.gz AEIAEUNGSICTOW-UHFFFAOYSA-N -1 3 416.459 2.292 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2)c1 ZINC000769803178 1078570430 /nfs/dbraw/zinc/57/04/30/1078570430.db2.gz QWLJBXBNCGPNQY-QGZVFWFLSA-N -1 3 418.471 2.112 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2(c3cccc(F)c3)CCOCC2)c1 ZINC000769922701 1078636440 /nfs/dbraw/zinc/63/64/40/1078636440.db2.gz ABVFRDNSFSJGJU-UHFFFAOYSA-N -1 3 408.451 2.339 20 10 HECDHM C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H](C)CN1Cc1ccccc1 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ZINC000769716488 1078533574 /nfs/dbraw/zinc/53/35/74/1078533574.db2.gz KOEHNJZDOYPFLC-UHFFFAOYSA-N -1 3 411.524 2.065 20 10 HECDHM COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769935615 1078663952 /nfs/dbraw/zinc/66/39/52/1078663952.db2.gz RGHRRHNONZGIJU-WMLDXEAASA-N -1 3 424.519 2.348 20 10 HECDHM CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H](O)c1c(F)cccc1F ZINC000770043605 1078702068 /nfs/dbraw/zinc/70/20/68/1078702068.db2.gz YCRTXQRRGVNKGA-WMLDXEAASA-N -1 3 414.430 2.284 20 10 HECDHM Cc1ccc(C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)c([O-])c1O ZINC000770478293 1078875789 /nfs/dbraw/zinc/87/57/89/1078875789.db2.gz WRFORYONMBUIAW-UHFFFAOYSA-N -1 3 417.437 2.458 20 10 HECDHM CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)o1 ZINC000771054757 1079115152 /nfs/dbraw/zinc/11/51/52/1079115152.db2.gz WKLFOIWGBZBHRF-CQSZACIVSA-N -1 3 412.895 2.437 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000741288553 1076457725 /nfs/dbraw/zinc/45/77/25/1076457725.db2.gz CJMRZPKIFPQKSO-CQSZACIVSA-N -1 3 402.831 2.020 20 10 HECDHM COC(=O)CN(CC(=O)N=c1cc[nH]n1[C@H](C)C1CC1)Cc1cc(Cl)ccc1[O-] ZINC000741785014 1076626160 /nfs/dbraw/zinc/62/61/60/1076626160.db2.gz MHVLBNRPJWITIU-CYBMUJFWSA-N -1 3 420.897 2.249 20 10 HECDHM Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)cc1 ZINC000743718439 1077095992 /nfs/dbraw/zinc/09/59/92/1077095992.db2.gz PAUGJYYVLFMLGD-MRXNPFEDSA-N -1 3 403.504 2.471 20 10 HECDHM CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCS[C@H]3COCC[C@H]32)c1 ZINC000767784560 1080091217 /nfs/dbraw/zinc/09/12/17/1080091217.db2.gz DEHHXKFNCQMXBK-UXHICEINSA-N -1 3 406.548 2.133 20 10 HECDHM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3c([O-])cccc3Cl)CC2)c1 ZINC000768158311 1080377395 /nfs/dbraw/zinc/37/73/95/1080377395.db2.gz YFVHQBNVPMJZHZ-UHFFFAOYSA-N -1 3 411.867 2.460 20 10 HECDHM Cc1cc(NC(=O)CN2CCN(Cc3cc(Br)ccc3[O-])CC2)no1 ZINC000768226734 1080430973 /nfs/dbraw/zinc/43/09/73/1080430973.db2.gz CBOCAGBKCGAQRK-UHFFFAOYSA-N -1 3 409.284 2.207 20 10 HECDHM Cn1cc(C(=O)NCC2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)cn1 ZINC000769230080 1081010003 /nfs/dbraw/zinc/01/00/03/1081010003.db2.gz XWPNOGJIYAPXCH-UHFFFAOYSA-N -1 3 407.858 2.329 20 10 HECDHM CS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cc(Cl)ccc3[O-])CC2)c1 ZINC000769452537 1081085391 /nfs/dbraw/zinc/08/53/91/1081085391.db2.gz WCGHJZXPIKMURC-UHFFFAOYSA-N -1 3 408.907 2.407 20 10 HECDHM CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769781964 1078563164 /nfs/dbraw/zinc/56/31/64/1078563164.db2.gz DYPGAYQJIYAFAU-KRWDZBQOSA-N -1 3 420.487 2.010 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000770086071 1078713489 /nfs/dbraw/zinc/71/34/89/1078713489.db2.gz ANRGKQQHHUGRDA-INIZCTEOSA-N -1 3 420.487 2.291 20 10 HECDHM C[C@@H]1CN(Cc2cccc(Br)c2[O-])CCN1c1nccn2cnnc12 ZINC000770279875 1078805065 /nfs/dbraw/zinc/80/50/65/1078805065.db2.gz IDDHILNBIICOBQ-GFCCVEGCSA-N -1 3 403.284 2.303 20 10 HECDHM Cn1c(CCCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])nc2ccccc21 ZINC000746411830 1078907580 /nfs/dbraw/zinc/90/75/80/1078907580.db2.gz QRRQKHHAQZNZKV-UHFFFAOYSA-N -1 3 402.476 2.013 20 10 HECDHM Cc1c[nH]c(NC(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)n1 ZINC000771036112 1079111925 /nfs/dbraw/zinc/11/19/25/1079111925.db2.gz FGSJOJKVGLXQCT-UHFFFAOYSA-N -1 3 417.403 2.385 20 10 HECDHM O=c1[nH]c2ccc(S(=O)(=O)N3CCN(Cc4c([O-])cccc4Cl)CC3)cc2[nH]1 ZINC000768217149 1080422174 /nfs/dbraw/zinc/42/21/74/1080422174.db2.gz GHGVQULTYZWASY-UHFFFAOYSA-N -1 3 422.894 2.134 20 10 HECDHM COC(=O)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(C)c(C)c1 ZINC000769628649 1081147157 /nfs/dbraw/zinc/14/71/57/1081147157.db2.gz MQENTSJSUKLFNE-KRWDZBQOSA-N -1 3 406.460 2.025 20 10 HECDHM Cn1ccnc1[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1F ZINC000769647878 1078483284 /nfs/dbraw/zinc/48/32/84/1078483284.db2.gz UBBNFGJGQGSMLL-QGZVFWFLSA-N -1 3 418.450 2.156 20 10 HECDHM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H](COC)Cc1ccccc1 ZINC000769938572 1078664982 /nfs/dbraw/zinc/66/49/82/1078664982.db2.gz VSGJKGPZHZSGKA-QGZVFWFLSA-N -1 3 406.504 2.484 20 10 HECDHM COCCOCCN(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769976932 1078671604 /nfs/dbraw/zinc/67/16/04/1078671604.db2.gz IWPFRHJAVXETCN-UHFFFAOYSA-N -1 3 422.503 2.069 20 10 HECDHM CCOC(=O)c1nc(C2CCN(C(=O)NCc3ccc(N(C)C)c(F)c3)CC2)n[n-]1 ZINC000770433984 1078852866 /nfs/dbraw/zinc/85/28/66/1078852866.db2.gz HOEYHAPNYHXYGP-UHFFFAOYSA-N -1 3 418.473 2.276 20 10 HECDHM CCOC(=O)c1nnc(C2CCN(C(=O)NCc3ccc(N(C)C)c(F)c3)CC2)[n-]1 ZINC000770433984 1078852871 /nfs/dbraw/zinc/85/28/71/1078852871.db2.gz HOEYHAPNYHXYGP-UHFFFAOYSA-N -1 3 418.473 2.276 20 10 HECDHM COC(=O)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(C)c(C)c1 ZINC000769628650 1081147189 /nfs/dbraw/zinc/14/71/89/1081147189.db2.gz MQENTSJSUKLFNE-QGZVFWFLSA-N -1 3 406.460 2.025 20 10 HECDHM COCCN(CCCc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769725373 1078537060 /nfs/dbraw/zinc/53/70/60/1078537060.db2.gz AZNKPWSLTVYRMZ-UHFFFAOYSA-N -1 3 406.504 2.485 20 10 HECDHM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769937640 1078664344 /nfs/dbraw/zinc/66/43/44/1078664344.db2.gz SMKVRJCTLIWJCT-GWQKEKGPSA-N -1 3 410.517 2.334 20 10 HECDHM CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H](O)c1c(F)cccc1F ZINC000770043601 1078702112 /nfs/dbraw/zinc/70/21/12/1078702112.db2.gz YCRTXQRRGVNKGA-PBHICJAKSA-N -1 3 414.430 2.284 20 10 HECDHM COc1cc2c(cc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])O[C@@H](C)C2 ZINC000746310095 1078849688 /nfs/dbraw/zinc/84/96/88/1078849688.db2.gz NFSXEJJOBOMFEY-NSHDSACASA-N -1 3 406.460 2.026 20 10 HECDHM CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)o1 ZINC000771054756 1079115026 /nfs/dbraw/zinc/11/50/26/1079115026.db2.gz WKLFOIWGBZBHRF-AWEZNQCLSA-N -1 3 412.895 2.437 20 10 HECDHM COc1ccc(N2CCN(C(=O)Cc3noc(-c4cccc(OC)c4[O-])n3)CC2)cc1 ZINC000771065999 1079123938 /nfs/dbraw/zinc/12/39/38/1079123938.db2.gz HQDFXGVPUSFOIR-UHFFFAOYSA-N -1 3 424.457 2.351 20 10 HECDHM Cc1cc(N2CCN(Cc3cccc(Br)c3[O-])CC2)n2ncnc2n1 ZINC000768303313 1080474545 /nfs/dbraw/zinc/47/45/45/1080474545.db2.gz OUJYJUNQZBRREK-UHFFFAOYSA-N -1 3 403.284 2.223 20 10 HECDHM CC(C)(C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)S(=O)(=O)C1CC1 ZINC000786412045 1080590821 /nfs/dbraw/zinc/59/08/21/1080590821.db2.gz ZTOONZQVSNAITF-OAHLLOKOSA-N -1 3 414.955 2.482 20 10 HECDHM CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769781965 1078563056 /nfs/dbraw/zinc/56/30/56/1078563056.db2.gz DYPGAYQJIYAFAU-QGZVFWFLSA-N -1 3 420.487 2.010 20 10 HECDHM COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769935614 1078663915 /nfs/dbraw/zinc/66/39/15/1078663915.db2.gz RGHRRHNONZGIJU-RHSMWYFYSA-N -1 3 424.519 2.348 20 10 HECDHM CC(C)C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC(C)(C)C ZINC000769976010 1078671190 /nfs/dbraw/zinc/67/11/90/1078671190.db2.gz YBVIYPGSHCYRKN-CQSZACIVSA-N -1 3 400.497 2.250 20 10 HECDHM COc1ccc(N2CCN(C(=O)Cc3noc(-c4cc(OC)ccc4[O-])n3)CC2)cc1 ZINC000771069571 1079126089 /nfs/dbraw/zinc/12/60/89/1079126089.db2.gz XBFFHMGPHMGDED-UHFFFAOYSA-N -1 3 424.457 2.351 20 10 HECDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCc3cccc(OC)c3O)c2)n1 ZINC000737286306 1075894849 /nfs/dbraw/zinc/89/48/49/1075894849.db2.gz UUSPFQPXPBGHPF-UHFFFAOYSA-N -1 3 422.441 2.381 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCNc2ccc3ccccc3n2)c1 ZINC000743459608 1077055624 /nfs/dbraw/zinc/05/56/24/1077055624.db2.gz GZRDQTUEKKXSLP-UHFFFAOYSA-N -1 3 400.460 2.154 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000743722640 1077096489 /nfs/dbraw/zinc/09/64/89/1077096489.db2.gz QNQYOSYNTTUSLP-UHFFFAOYSA-N -1 3 418.450 2.061 20 10 HECDHM CN(Cc1nccn1Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000743731679 1077098626 /nfs/dbraw/zinc/09/86/26/1077098626.db2.gz UQEWIHFTOZQBOV-UHFFFAOYSA-N -1 3 414.487 2.281 20 10 HECDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1nc(-c2cccc(F)c2)no1 ZINC000743800150 1077122618 /nfs/dbraw/zinc/12/26/18/1077122618.db2.gz SSOCYDJYTHIWGP-SNVBAGLBSA-N -1 3 420.422 2.444 20 10 HECDHM CCN(CC(=O)NCC(=O)NC(C)(C)C)Cc1cc(Br)ccc1[O-] ZINC000744427078 1077389741 /nfs/dbraw/zinc/38/97/41/1077389741.db2.gz XTYACNRSKXUOIO-UHFFFAOYSA-N -1 3 400.317 2.008 20 10 HECDHM O=C(COC(=O)c1cc2occc2[n-]1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000786032049 1080380475 /nfs/dbraw/zinc/38/04/75/1080380475.db2.gz XSNFEGRCDRONSK-UHFFFAOYSA-N -1 3 401.394 2.210 20 10 HECDHM CCS[C@H](C)c1noc(CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000768292750 1080463673 /nfs/dbraw/zinc/46/36/73/1080463673.db2.gz MOVIAHJTRGENLH-SNVBAGLBSA-N -1 3 414.509 2.233 20 10 HECDHM Cc1cc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)n2ncnc2n1 ZINC000768302061 1080472774 /nfs/dbraw/zinc/47/27/74/1080472774.db2.gz FZJOONIHTRMDKA-UHFFFAOYSA-N -1 3 403.284 2.223 20 10 HECDHM Cc1ccn(-c2ccccc2CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000768305954 1080475729 /nfs/dbraw/zinc/47/57/29/1080475729.db2.gz WPUYWMQOSAONHB-UHFFFAOYSA-N -1 3 400.460 2.188 20 10 HECDHM Cn1ccnc1[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(F)cc1 ZINC000769637245 1081155061 /nfs/dbraw/zinc/15/50/61/1081155061.db2.gz QJUGTETYRPUROP-KRWDZBQOSA-N -1 3 418.450 2.156 20 10 HECDHM CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769744160 1078556168 /nfs/dbraw/zinc/55/61/68/1078556168.db2.gz KQMJQJAECKJIQY-UHFFFAOYSA-N -1 3 424.450 2.108 20 10 HECDHM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000769806387 1078571383 /nfs/dbraw/zinc/57/13/83/1078571383.db2.gz TWBFQCGXIJHINH-KRWDZBQOSA-N -1 3 417.487 2.031 20 10 HECDHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)c2)CC1 ZINC000769849609 1078608176 /nfs/dbraw/zinc/60/81/76/1078608176.db2.gz XFNQQBYZUPMWBB-UHFFFAOYSA-N -1 3 423.560 2.033 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)c1 ZINC000769908209 1078629544 /nfs/dbraw/zinc/62/95/44/1078629544.db2.gz MJAZBFAGRWRYDU-KRWDZBQOSA-N -1 3 400.460 2.132 20 10 HECDHM Cc1ccc(N2CCC[C@H](NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)cc1 ZINC000743718438 1077096094 /nfs/dbraw/zinc/09/60/94/1077096094.db2.gz PAUGJYYVLFMLGD-INIZCTEOSA-N -1 3 403.504 2.471 20 10 HECDHM C[C@H](Sc1nncn1C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768913281 1080853012 /nfs/dbraw/zinc/85/30/12/1080853012.db2.gz XSKFYNJXRJNGBN-WFASDCNBSA-N -1 3 409.943 2.436 20 10 HECDHM Cc1ccnc2nc(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4[O-])C3)nn21 ZINC000768914472 1080853755 /nfs/dbraw/zinc/85/37/55/1080853755.db2.gz DCKKVOWHFALNBY-OAHLLOKOSA-N -1 3 400.870 2.186 20 10 HECDHM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)Cc2cc(Br)ccc2[O-])C1 ZINC000769301689 1081035632 /nfs/dbraw/zinc/03/56/32/1081035632.db2.gz CIEPGOONKQGWGF-ZDUSSCGKSA-N -1 3 413.312 2.388 20 10 HECDHM Cn1ccnc1[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc(F)c1 ZINC000769636807 1081155587 /nfs/dbraw/zinc/15/55/87/1081155587.db2.gz KIDSNVIIHUHTCG-KRWDZBQOSA-N -1 3 418.450 2.156 20 10 HECDHM Cn1ccnc1[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000769638053 1081157140 /nfs/dbraw/zinc/15/71/40/1081157140.db2.gz YMRZSQYZYAGGKW-QGZVFWFLSA-N -1 3 400.460 2.017 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(Cc2cc[nH]n2)Cc2ccccc2)c1 ZINC000769753294 1078540488 /nfs/dbraw/zinc/54/04/88/1078540488.db2.gz QPLKZULMRAQKRG-UHFFFAOYSA-N -1 3 400.460 2.329 20 10 HECDHM COC(=O)CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000769779009 1078550497 /nfs/dbraw/zinc/55/04/97/1078550497.db2.gz RROLGXQXXXOJKK-MRXNPFEDSA-N -1 3 406.460 2.188 20 10 HECDHM COc1ccc(C2(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CCOCC2)cc1 ZINC000769745778 1078557102 /nfs/dbraw/zinc/55/71/02/1078557102.db2.gz CVIASMDRGLOZCL-UHFFFAOYSA-N -1 3 420.487 2.208 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000770036378 1078698627 /nfs/dbraw/zinc/69/86/27/1078698627.db2.gz OESPJPQLXSLUKS-UHFFFAOYSA-N -1 3 405.432 2.477 20 10 HECDHM COc1cc(CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C2CC2)ccc1O ZINC000770035553 1078698807 /nfs/dbraw/zinc/69/88/07/1078698807.db2.gz PBYGOWKDVXDPQT-UHFFFAOYSA-N -1 3 406.460 2.283 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000770151605 1078730675 /nfs/dbraw/zinc/73/06/75/1078730675.db2.gz ZDOXWQQAGVFWEI-UHFFFAOYSA-N -1 3 405.432 2.477 20 10 HECDHM O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000741090781 1076364395 /nfs/dbraw/zinc/36/43/95/1076364395.db2.gz OGQPYVXOQGDCCR-UHFFFAOYSA-N -1 3 406.486 2.436 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccncc2)Cc2cccnc2)c1 ZINC000769767233 1078546322 /nfs/dbraw/zinc/54/63/22/1078546322.db2.gz DGPYYLWFXVXTHE-UHFFFAOYSA-N -1 3 412.471 2.396 20 10 HECDHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3cnc4c(c3)c(C)nn4C)c2)CC1 ZINC000769848933 1078608940 /nfs/dbraw/zinc/60/89/40/1078608940.db2.gz SCJBQJRWSDEMIU-UHFFFAOYSA-N -1 3 414.535 2.219 20 10 HECDHM COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769935613 1078663890 /nfs/dbraw/zinc/66/38/90/1078663890.db2.gz RGHRRHNONZGIJU-PBHICJAKSA-N -1 3 424.519 2.348 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(C[C@H](O)c2ccc(F)cc2)C2CC2)c1 ZINC000770007582 1078683422 /nfs/dbraw/zinc/68/34/22/1078683422.db2.gz QNTCWXZXHPRTIO-SFHVURJKSA-N -1 3 408.451 2.241 20 10 HECDHM CCN(CC)c1ccc(CN(C)C(=O)C[N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000770756983 1079008228 /nfs/dbraw/zinc/00/82/28/1079008228.db2.gz YYRUWSXLLNGFJN-UHFFFAOYSA-N -1 3 408.524 2.075 20 10 HECDHM Cn1ncc2c1ncnc2N1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000768234937 1080434885 /nfs/dbraw/zinc/43/48/85/1080434885.db2.gz SJCOJWRLCZYMJJ-UHFFFAOYSA-N -1 3 403.284 2.154 20 10 HECDHM CS(=O)(=O)CC1(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000768913196 1080853052 /nfs/dbraw/zinc/85/30/52/1080853052.db2.gz WITPBIGNRIACET-INIZCTEOSA-N -1 3 414.955 2.341 20 10 HECDHM C[C@@H](Sc1nncn1C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768913278 1080853097 /nfs/dbraw/zinc/85/30/97/1080853097.db2.gz XSKFYNJXRJNGBN-DOMZBBRYSA-N -1 3 409.943 2.436 20 10 HECDHM CC(C)(C)OC(=O)CCC(C)(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769932552 1078663206 /nfs/dbraw/zinc/66/32/06/1078663206.db2.gz WOMXPIGIMZABTD-UHFFFAOYSA-N -1 3 400.497 2.394 20 10 HECDHM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769937642 1078664393 /nfs/dbraw/zinc/66/43/93/1078664393.db2.gz SMKVRJCTLIWJCT-QDXKXIGTSA-N -1 3 410.517 2.334 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)c1 ZINC000770122629 1078739270 /nfs/dbraw/zinc/73/92/70/1078739270.db2.gz VJQVGXYLTSMERV-OAHLLOKOSA-N -1 3 414.487 2.418 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000771640264 1079446195 /nfs/dbraw/zinc/44/61/95/1079446195.db2.gz FDBJJIZEMKCUFK-UHFFFAOYSA-N -1 3 422.478 2.113 20 10 HECDHM O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000740919722 1076305073 /nfs/dbraw/zinc/30/50/73/1076305073.db2.gz JQBCWSXEAKDXSI-UHFFFAOYSA-N -1 3 406.486 2.436 20 10 HECDHM COC(=O)CN(Cc1csc(CS(C)(=O)=O)n1)Cc1cc(Cl)ccc1[O-] ZINC000744403357 1077381318 /nfs/dbraw/zinc/38/13/18/1077381318.db2.gz YHFAXPDRUKBMIO-UHFFFAOYSA-N -1 3 418.924 2.222 20 10 HECDHM CCc1ccc2c(c1)[C@@H](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)N2 ZINC000769807003 1078571989 /nfs/dbraw/zinc/57/19/89/1078571989.db2.gz XRUZNTGTHVJXAC-CQSZACIVSA-N -1 3 417.487 2.182 20 10 HECDHM COC(=O)[C@@H](C)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000769941654 1078666349 /nfs/dbraw/zinc/66/63/49/1078666349.db2.gz GMVVQIUDCGXPMS-YVEFUNNKSA-N -1 3 406.460 2.044 20 10 HECDHM CC[C@H](C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC(C)(C)C ZINC000770118014 1078738462 /nfs/dbraw/zinc/73/84/62/1078738462.db2.gz VMXSPAAMEFKWAR-NHYWBVRUSA-N -1 3 400.497 2.250 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CCCO)Cc2cccc(Cl)c2)c1 ZINC000770123377 1078739741 /nfs/dbraw/zinc/73/97/41/1078739741.db2.gz FNFQOFWLYOQHNO-UHFFFAOYSA-N -1 3 412.895 2.442 20 10 HECDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NCc2ccc(N(C)C)cc2)CCCC1 ZINC000742241969 1076804358 /nfs/dbraw/zinc/80/43/58/1076804358.db2.gz YQPUDLCNQFTSLX-UHFFFAOYSA-N -1 3 420.535 2.265 20 10 HECDHM O=S(=O)([N-]Cc1ccc(N2CCOCC2)cc1)c1ccc(Br)cn1 ZINC000742283200 1076815432 /nfs/dbraw/zinc/81/54/32/1076815432.db2.gz PMAKVWCAMSEUES-UHFFFAOYSA-N -1 3 412.309 2.159 20 10 HECDHM CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCOC3(CCOCC3)CC2)c1 ZINC000768908590 1080849397 /nfs/dbraw/zinc/84/93/97/1080849397.db2.gz VKLVVTJQLOUYPT-UHFFFAOYSA-N -1 3 418.534 2.199 20 10 HECDHM O=C(CSc1nnnn1C1CC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768911583 1080850320 /nfs/dbraw/zinc/85/03/20/1080850320.db2.gz FVMJCAHVCYBTTB-AWEZNQCLSA-N -1 3 422.942 2.240 20 10 HECDHM O=S(=O)(c1c[nH]c2ncccc12)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000769021369 1080886755 /nfs/dbraw/zinc/88/67/55/1080886755.db2.gz HVVLYHKYXLOXPO-UHFFFAOYSA-N -1 3 406.895 2.428 20 10 HECDHM O=S(=O)(c1c[nH]c2ncccc12)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000769023831 1080887493 /nfs/dbraw/zinc/88/74/93/1080887493.db2.gz QGXSEJCJIGAAMY-UHFFFAOYSA-N -1 3 406.895 2.428 20 10 HECDHM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)Cc2cc(Br)ccc2[O-])C1 ZINC000769301688 1081035467 /nfs/dbraw/zinc/03/54/67/1081035467.db2.gz CIEPGOONKQGWGF-CYBMUJFWSA-N -1 3 413.312 2.388 20 10 HECDHM CCOC(=O)C1CCN(C(=O)CN(C)Cc2cc(Br)ccc2[O-])CC1 ZINC000769304662 1081037176 /nfs/dbraw/zinc/03/71/76/1081037176.db2.gz AGAWPDLMYFNFLS-UHFFFAOYSA-N -1 3 413.312 2.388 20 10 HECDHM CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H](O)c1c(F)cccc1F ZINC000770043603 1078702003 /nfs/dbraw/zinc/70/20/03/1078702003.db2.gz YCRTXQRRGVNKGA-RHSMWYFYSA-N -1 3 414.430 2.284 20 10 HECDHM COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000770151512 1078730663 /nfs/dbraw/zinc/73/06/63/1078730663.db2.gz VPDKODGZLFMHEV-HNNXBMFYSA-N -1 3 420.487 2.058 20 10 HECDHM Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000771181935 1079211687 /nfs/dbraw/zinc/21/16/87/1079211687.db2.gz JQIDZACVIGJAAN-UHFFFAOYSA-N -1 3 415.512 2.050 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(C(=O)NC3CCCCC3)CC2)c1 ZINC000744380831 1077376366 /nfs/dbraw/zinc/37/63/66/1077376366.db2.gz WPCSWZASDPRECZ-UHFFFAOYSA-N -1 3 423.535 2.065 20 10 HECDHM CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000767784562 1080091171 /nfs/dbraw/zinc/09/11/71/1080091171.db2.gz DEHHXKFNCQMXBK-VQTJNVASSA-N -1 3 406.548 2.133 20 10 HECDHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000786796192 1080826111 /nfs/dbraw/zinc/82/61/11/1080826111.db2.gz BMEAZKIXRWBHCJ-UHFFFAOYSA-N -1 3 420.506 2.405 20 10 HECDHM Cc1cc(C)n2nc(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4[O-])C3)nc2n1 ZINC000768910892 1080850823 /nfs/dbraw/zinc/85/08/23/1080850823.db2.gz BDCLPKZQHHTCNR-MRXNPFEDSA-N -1 3 414.897 2.495 20 10 HECDHM C[C@@H](Sc1nncn1C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768913279 1080853180 /nfs/dbraw/zinc/85/31/80/1080853180.db2.gz XSKFYNJXRJNGBN-IUODEOHRSA-N -1 3 409.943 2.436 20 10 HECDHM Cn1ccnc1[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1F ZINC000769647877 1078483252 /nfs/dbraw/zinc/48/32/52/1078483252.db2.gz UBBNFGJGQGSMLL-KRWDZBQOSA-N -1 3 418.450 2.156 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCc2nc(-c3ccccn3)cs2)c1 ZINC000769785460 1078564453 /nfs/dbraw/zinc/56/44/53/1078564453.db2.gz YAKHPGSKIZGOGI-UHFFFAOYSA-N -1 3 418.500 2.255 20 10 HECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)c1 ZINC000769803177 1078570265 /nfs/dbraw/zinc/57/02/65/1078570265.db2.gz QWLJBXBNCGPNQY-KRWDZBQOSA-N -1 3 418.471 2.112 20 10 HECDHM Cc1ccc(S(=O)(=O)NCCN2CCN(Cc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000769379859 1081057996 /nfs/dbraw/zinc/05/79/96/1081057996.db2.gz QJNNHROMZUUJBO-UHFFFAOYSA-N -1 3 423.966 2.450 20 10 HECDHM