smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(COc1ccc(Br)cc1Br)[N-]N1C(=O)c2cccc3cccc(c32)C1=O ZINC000000644818 551507372 /nfs/dbraw/zinc/50/73/72/551507372.db2.gz CSTOPWNLMNNKGZ-UHFFFAOYSA-N -1 3 504.134 4.071 50 0 KIAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3nc4nc(C)cc(C(F)F)n4n3)cc2)c(C)c1 ZINC000000648832 551510125 /nfs/dbraw/zinc/51/01/25/551510125.db2.gz OMPRCZQRBQAQAP-UHFFFAOYSA-N -1 3 500.531 4.349 50 0 KIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3Br)S(C)(=O)=O)cc2)cc1C ZINC000000659919 551515684 /nfs/dbraw/zinc/51/56/84/551515684.db2.gz VPIPSIPPABSXSV-UHFFFAOYSA-N -1 3 566.499 4.271 50 0 KIAAHM CCSc1nnc2c(n1)O[C@H](c1cc(I)c([O-])c(OC)c1)Nc1ccccc1-2 ZINC000000668964 551518458 /nfs/dbraw/zinc/51/84/58/551518458.db2.gz WTUYJDMTLISPIT-QGZVFWFLSA-N -1 3 508.341 4.473 50 0 KIAAHM CCSc1nnc2c(n1)O[C@@H](c1cc(I)c([O-])c(OC)c1)Nc1ccccc1-2 ZINC000000668966 551518446 /nfs/dbraw/zinc/51/84/46/551518446.db2.gz WTUYJDMTLISPIT-KRWDZBQOSA-N -1 3 508.341 4.473 50 0 KIAAHM CCOc1ccccc1C(=O)[N-]N1C(=O)c2cc(Br)ccc2N[C@@H]1c1ccc2c(c1)OCO2 ZINC000000669007 551518487 /nfs/dbraw/zinc/51/84/87/551518487.db2.gz DGMXLLCVXKOONT-QFIPXVFZSA-N -1 3 510.344 4.488 50 0 KIAAHM CCOc1ccccc1C(=O)[N-]N1C(=O)c2cc(Br)ccc2N[C@H]1c1ccc2c(c1)OCO2 ZINC000000669009 551518443 /nfs/dbraw/zinc/51/84/43/551518443.db2.gz DGMXLLCVXKOONT-JOCHJYFZSA-N -1 3 510.344 4.488 50 0 KIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)c(C(C)=O)c(C)n3S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000000675543 551522091 /nfs/dbraw/zinc/52/20/91/551522091.db2.gz TUMVRIHDEADKMS-UHFFFAOYSA-N -1 3 528.608 4.207 50 0 KIAAHM O=C([N-]c1nnc(-c2ccccc2)s1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1 ZINC000000714059 551533859 /nfs/dbraw/zinc/53/38/59/551533859.db2.gz SFGPTWWAKLTHNA-UHFFFAOYSA-N -1 3 507.435 4.395 50 0 KIAAHM COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1OCc1ccccc1 ZINC000000715274 551534232 /nfs/dbraw/zinc/53/42/32/551534232.db2.gz FFGJRRLIAVUZRO-OTNCWRBYSA-N -1 3 500.473 4.378 50 0 KIAAHM CCOc1ccc(CCn2c(=O)[n-]c(=O)c3c2NC(c2ccco2)=NC3(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000000719183 551535838 /nfs/dbraw/zinc/53/58/38/551535838.db2.gz AILVHHPQPCKGTF-UHFFFAOYSA-N -1 3 560.451 4.362 50 0 KIAAHM CCOc1ccc(CCn2c(=O)[n-]c(=O)c3c2NC(c2ccncc2)=NC3(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000000720309 551536937 /nfs/dbraw/zinc/53/69/37/551536937.db2.gz HUFMZCSRJWNXMK-UHFFFAOYSA-N -1 3 571.478 4.164 50 0 KIAAHM CCOC(=O)c1c(C)n(S(=O)(=O)c2ccc(OC)cc2)c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc21 ZINC000000822125 551544192 /nfs/dbraw/zinc/54/41/92/551544192.db2.gz XAVLMQQGXPMFDX-UHFFFAOYSA-N -1 3 558.634 4.181 50 0 KIAAHM CSc1nnc2c(n1)O[C@@]1([N-]c3ccccc3-2)C(=O)Nc2c1cc(Br)cc2Br ZINC000000822522 551544346 /nfs/dbraw/zinc/54/43/46/551544346.db2.gz MNAZHDGJGXCBDM-GOSISDBHSA-N -1 3 521.194 4.395 50 0 KIAAHM CSc1nnc2c(n1)O[C@]1([N-]c3ccccc3-2)C(=O)Nc2c1cc(Br)cc2Br ZINC000000822523 551544252 /nfs/dbraw/zinc/54/42/52/551544252.db2.gz MNAZHDGJGXCBDM-SFHVURJKSA-N -1 3 521.194 4.395 50 0 KIAAHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(I)c1[O-] ZINC000001008297 551596475 /nfs/dbraw/zinc/59/64/75/551596475.db2.gz DPULKKHSISRLGA-YVLHZVERSA-N -1 3 538.363 4.379 50 0 KIAAHM COc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1OCc1ccccc1 ZINC000001009636 551596486 /nfs/dbraw/zinc/59/64/86/551596486.db2.gz FFGJRRLIAVUZRO-FBLLAGFSSA-N -1 3 500.473 4.378 50 0 KIAAHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc(I)c1[O-] ZINC000001012772 551596737 /nfs/dbraw/zinc/59/67/37/551596737.db2.gz FIRNZFCTYYDZAP-LICLKQGHSA-N -1 3 538.363 4.379 50 0 KIAAHM Cn1nc(-c2ccc(S(=O)(=O)[N-]CC3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1C(F)(F)F ZINC000001030017 551597852 /nfs/dbraw/zinc/59/78/52/551597852.db2.gz KUJLBMAUWOPCEP-UHFFFAOYSA-N -1 3 508.588 4.093 50 0 KIAAHM O=C(CCS(=O)(=O)c1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1)Nc1cc(Br)ccc1[O-] ZINC000001070098 551602526 /nfs/dbraw/zinc/60/25/26/551602526.db2.gz KPTKMPYAGQOAMC-UHFFFAOYSA-N -1 3 574.331 4.162 50 0 KIAAHM O=C(CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1cc(Br)ccc1[O-] ZINC000001070953 551602888 /nfs/dbraw/zinc/60/28/88/551602888.db2.gz MBHSDKKCDSFGHM-UHFFFAOYSA-N -1 3 536.351 4.495 50 0 KIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(I)cc3)cc2)cc1 ZINC000001072597 551602908 /nfs/dbraw/zinc/60/29/08/551602908.db2.gz SFJILJMPRJCDJX-UHFFFAOYSA-N -1 3 538.363 4.118 50 0 KIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)c(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000001078510 551605223 /nfs/dbraw/zinc/60/52/23/551605223.db2.gz MVXFVBZLTJYUER-UHFFFAOYSA-N -1 3 556.037 4.083 50 0 KIAAHM CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2CC)cc1 ZINC000001078971 551605602 /nfs/dbraw/zinc/60/56/02/551605602.db2.gz ZCSWWVQVJQFQIM-UHFFFAOYSA-N -1 3 505.394 4.341 50 0 KIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)cc1C ZINC000001093323 551607364 /nfs/dbraw/zinc/60/73/64/551607364.db2.gz ONWPAVQDHQEMPV-UHFFFAOYSA-N -1 3 536.075 4.471 50 0 KIAAHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000001117457 551612354 /nfs/dbraw/zinc/61/23/54/551612354.db2.gz IKQZCEDQYKEUJP-UHFFFAOYSA-N -1 3 570.476 4.067 50 0 KIAAHM COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)c(Cl)c(I)c1[O-] ZINC000001126818 551614309 /nfs/dbraw/zinc/61/43/09/551614309.db2.gz ARHZFIHNUOBGSK-MRXNPFEDSA-N -1 3 531.709 4.065 50 0 KIAAHM COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)c(Cl)c(I)c1[O-] ZINC000001126823 551614272 /nfs/dbraw/zinc/61/42/72/551614272.db2.gz ARHZFIHNUOBGSK-INIZCTEOSA-N -1 3 531.709 4.065 50 0 KIAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000001276397 551635889 /nfs/dbraw/zinc/63/58/89/551635889.db2.gz YJAORXRYIKPBMF-XPNTWCBSSA-N -1 3 553.365 4.216 50 0 KIAAHM CCOc1ccc(CCNC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)cc1OCC ZINC000001430868 551669951 /nfs/dbraw/zinc/66/99/51/551669951.db2.gz UPUNZOQLKRQLMU-UHFFFAOYSA-N -1 3 501.432 4.204 50 0 KIAAHM CCOC(=O)c1ccc(N2C=C(C(=O)OC)C(c3cc(Br)c([O-])c(OC)c3)C(C(=O)OC)=C2)cc1 ZINC000001434634 551670631 /nfs/dbraw/zinc/67/06/31/551670631.db2.gz BILQDSKCNBHMRG-UHFFFAOYSA-N -1 3 546.370 4.058 50 0 KIAAHM CCOc1cc(C2C(C(=O)OC)=CN(Cc3ccc(OC)c(OC)c3)C=C2C(=O)OC)cc(Br)c1[O-] ZINC000001457603 551677292 /nfs/dbraw/zinc/67/72/92/551677292.db2.gz MXLREZVAUHRTMM-UHFFFAOYSA-N -1 3 562.413 4.284 50 0 KIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)NC3(C(F)(F)F)Oc4ccccc4O3)cc2)cc1 ZINC000001470953 551680431 /nfs/dbraw/zinc/68/04/31/551680431.db2.gz PPTQFUXOVNJUPW-UHFFFAOYSA-N -1 3 509.462 4.305 50 0 KIAAHM O=C(COc1ccc(Cl)cc1Cl)[N-]N1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)SC1=S ZINC000001772764 551696959 /nfs/dbraw/zinc/69/69/59/551696959.db2.gz PIXWZLKNRMEPFW-FOCLMDBBSA-N -1 3 559.250 4.390 50 0 KIAAHM COC(=O)[C@](NC(=O)c1ccc(Cl)cc1Cl)(Nc1ccc([C@]([O-])(C(=O)OC)C(F)(F)F)cc1)C(F)(F)F ZINC000001790809 551701461 /nfs/dbraw/zinc/70/14/61/551701461.db2.gz VVPHXKKHLGYKFD-RBUKOAKNSA-N -1 3 577.261 4.190 50 0 KIAAHM COC(=O)[C@]([O-])(c1ccc(N[C@@](NC(=O)c2ccc(Cl)cc2Cl)(C(=O)OC)C(F)(F)F)cc1)C(F)(F)F ZINC000001790811 551701466 /nfs/dbraw/zinc/70/14/66/551701466.db2.gz VVPHXKKHLGYKFD-RTBURBONSA-N -1 3 577.261 4.190 50 0 KIAAHM COC(=O)[C@@]([O-])(c1ccc(N[C@](NC(=O)c2ccc(Cl)cc2Cl)(C(=O)OC)C(F)(F)F)cc1)C(F)(F)F ZINC000001790813 551701434 /nfs/dbraw/zinc/70/14/34/551701434.db2.gz VVPHXKKHLGYKFD-OALUTQOASA-N -1 3 577.261 4.190 50 0 KIAAHM COC(=O)[C@]([O-])(c1ccc(N[C@](NC(=O)c2ccc(Cl)cc2Cl)(C(=O)OC)C(F)(F)F)cc1)C(F)(F)F ZINC000001790814 551701474 /nfs/dbraw/zinc/70/14/74/551701474.db2.gz VVPHXKKHLGYKFD-MOPGFXCFSA-N -1 3 577.261 4.190 50 0 KIAAHM CCOC(=O)C1=C(C)N=c2s/c(=C\Cc3cc(Cl)ccc3[O-])c(=O)n2[C@H]1c1ccccc1Cl ZINC000002062210 551743124 /nfs/dbraw/zinc/74/31/24/551743124.db2.gz MLAPJAZSSCTQJU-RZXXJPOTSA-N -1 3 503.407 4.005 50 0 KIAAHM CCOC(=O)C1=C(C)N=c2s/c(=C\Cc3cc(Cl)ccc3[O-])c(=O)n2[C@@H]1c1ccccc1Cl ZINC000002062212 551743150 /nfs/dbraw/zinc/74/31/50/551743150.db2.gz MLAPJAZSSCTQJU-XQJRBFNUSA-N -1 3 503.407 4.005 50 0 KIAAHM COc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1Cn1nc(C)c(Br)c1C ZINC000002113644 551768500 /nfs/dbraw/zinc/76/85/00/551768500.db2.gz FQINQIAMHUVWDG-REWPJTCUSA-N -1 3 509.404 4.489 50 0 biogenic KIAAHM COc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1Cn1nc(C)c(Br)c1C ZINC000002113647 551768445 /nfs/dbraw/zinc/76/84/45/551768445.db2.gz FQINQIAMHUVWDG-NZQKXSOJSA-N -1 3 509.404 4.489 50 0 biogenic KIAAHM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1Cn1nc(C)c(Br)c1C ZINC000002113650 551768681 /nfs/dbraw/zinc/76/86/81/551768681.db2.gz FQINQIAMHUVWDG-OFNKIYASSA-N -1 3 509.404 4.489 50 0 biogenic KIAAHM COc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1Cn1nc(C)c(Br)c1C ZINC000002113651 551768678 /nfs/dbraw/zinc/76/86/78/551768678.db2.gz FQINQIAMHUVWDG-NFBKMPQASA-N -1 3 509.404 4.489 50 0 biogenic KIAAHM COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)c([O-])c(OC)c4)c(=O)n32)c1 ZINC000002154947 551779577 /nfs/dbraw/zinc/77/95/77/551779577.db2.gz HSCIBFZAMKHNSG-PNZYDNNZSA-N -1 3 562.047 4.250 50 0 KIAAHM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c([O-])c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000002162718 551781116 /nfs/dbraw/zinc/78/11/16/551781116.db2.gz VYSIUUJLWHWNCG-XQAWFANUSA-N -1 3 591.041 4.032 50 0 KIAAHM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000002162724 551781113 /nfs/dbraw/zinc/78/11/13/551781113.db2.gz VYSIUUJLWHWNCG-RLFCKUQXSA-N -1 3 591.041 4.032 50 0 KIAAHM COc1cc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCCO)cc(Br)c1O ZINC000002228498 552082090 /nfs/dbraw/zinc/08/20/90/552082090.db2.gz NLFPGPJWVAGOCO-FQEVSTJZSA-N -1 3 522.783 4.148 50 0 KIAAHM COc1cc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCCO)cc(Br)c1O ZINC000002228500 552082099 /nfs/dbraw/zinc/08/20/99/552082099.db2.gz NLFPGPJWVAGOCO-HXUWFJFHSA-N -1 3 522.783 4.148 50 0 KIAAHM COCCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3[O-])c2[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000002236579 552082582 /nfs/dbraw/zinc/08/25/82/552082582.db2.gz VIXKFUYXIFIRLF-FQEVSTJZSA-N -1 3 522.783 4.412 50 0 KIAAHM COCCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3[O-])c2[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000002236581 552082634 /nfs/dbraw/zinc/08/26/34/552082634.db2.gz VIXKFUYXIFIRLF-HXUWFJFHSA-N -1 3 522.783 4.412 50 0 KIAAHM COc1cc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCCO)cc(Br)c1[O-] ZINC000002239154 551798698 /nfs/dbraw/zinc/79/86/98/551798698.db2.gz PZESJUOKOQCZGY-SFHVURJKSA-N -1 3 508.752 4.159 50 0 KIAAHM COc1cc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCCO)cc(Br)c1[O-] ZINC000002239155 551798721 /nfs/dbraw/zinc/79/87/21/551798721.db2.gz PZESJUOKOQCZGY-GOSISDBHSA-N -1 3 508.752 4.159 50 0 KIAAHM Cc1ccc(S(=O)(=O)[N-][C@H](NC(=O)COc2ccc(Cl)cc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000002239908 551799020 /nfs/dbraw/zinc/79/90/20/551799020.db2.gz YICHPXNCNVIPHD-INIZCTEOSA-N -1 3 520.649 4.472 50 0 KIAAHM Cc1ccc(S(=O)(=O)[N-][C@@H](NC(=O)COc2ccc(Cl)cc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000002239909 551799011 /nfs/dbraw/zinc/79/90/11/551799011.db2.gz YICHPXNCNVIPHD-MRXNPFEDSA-N -1 3 520.649 4.472 50 0 KIAAHM Cc1ccc(S(=O)(=O)[N-][C@H](NC(=O)COc2ccc(Cl)cc2C)C(Cl)(Cl)Cl)cc1 ZINC000002258992 551803611 /nfs/dbraw/zinc/80/36/11/551803611.db2.gz PTAJGENUOFRKAC-KRWDZBQOSA-N -1 3 500.231 4.127 50 0 KIAAHM Cc1ccc(S(=O)(=O)[N-][C@@H](NC(=O)COc2ccc(Cl)cc2C)C(Cl)(Cl)Cl)cc1 ZINC000002258993 551803647 /nfs/dbraw/zinc/80/36/47/551803647.db2.gz PTAJGENUOFRKAC-QGZVFWFLSA-N -1 3 500.231 4.127 50 0 KIAAHM CCOC(=O)[C@@]([N-]c1nc2ccccc2nc1C(F)(F)F)(NC(=O)c1ccc(OC)cc1)C(F)(F)F ZINC000002270429 551804951 /nfs/dbraw/zinc/80/49/51/551804951.db2.gz ZMJGTWLWDHMMBS-HXUWFJFHSA-N -1 3 516.398 4.321 50 0 biogenic KIAAHM CCOC(=O)[C@]([N-]c1nc2ccccc2nc1C(F)(F)F)(NC(=O)c1ccc(OC)cc1)C(F)(F)F ZINC000002270430 551804959 /nfs/dbraw/zinc/80/49/59/551804959.db2.gz ZMJGTWLWDHMMBS-FQEVSTJZSA-N -1 3 516.398 4.321 50 0 biogenic KIAAHM CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)[N-]c3ccc(Br)cc3)ccc1OCC)[nH]c2=O ZINC000002274723 552086439 /nfs/dbraw/zinc/08/64/39/552086439.db2.gz NESSEAKIRCUKQR-UHFFFAOYSA-N -1 3 546.447 4.238 50 0 KIAAHM CCOC(=O)[C@@]([O-])(c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c(OC)c1)C(F)(F)F ZINC000002279529 551805820 /nfs/dbraw/zinc/80/58/20/551805820.db2.gz JQZJWUSLFIWFQF-IBGZPJMESA-N -1 3 525.332 4.442 50 0 KIAAHM CCOC(=O)[C@]([O-])(c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c(OC)c1)C(F)(F)F ZINC000002279530 551805782 /nfs/dbraw/zinc/80/57/82/551805782.db2.gz JQZJWUSLFIWFQF-LJQANCHMSA-N -1 3 525.332 4.442 50 0 KIAAHM COC(=O)[C@]([O-])(c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c(OC)c1)C(F)(F)F ZINC000002283239 552087319 /nfs/dbraw/zinc/08/73/19/552087319.db2.gz UWYDHEZMKULHNY-GOSISDBHSA-N -1 3 511.305 4.052 50 0 KIAAHM COC(=O)[C@@]([O-])(c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c(OC)c1)C(F)(F)F ZINC000002283240 552087348 /nfs/dbraw/zinc/08/73/48/552087348.db2.gz UWYDHEZMKULHNY-SFHVURJKSA-N -1 3 511.305 4.052 50 0 KIAAHM [O-]c1ccc(Br)cc1C1OCC2(CO1)COC(c1cc(Br)ccc1O)OC2 ZINC000002297715 552089863 /nfs/dbraw/zinc/08/98/63/552089863.db2.gz YZHXNVRZFZPYTI-UHFFFAOYSA-N -1 3 502.155 4.400 50 0 KIAAHM COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000002331797 552096159 /nfs/dbraw/zinc/09/61/59/552096159.db2.gz HFKFTXRMHXEBAB-SFHVURJKSA-N -1 3 508.752 4.423 50 0 KIAAHM COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000002331799 552096170 /nfs/dbraw/zinc/09/61/70/552096170.db2.gz HFKFTXRMHXEBAB-GOSISDBHSA-N -1 3 508.752 4.423 50 0 KIAAHM COCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000002342043 552098315 /nfs/dbraw/zinc/09/83/15/552098315.db2.gz XZOXZNOEVMHLMI-IBGZPJMESA-N -1 3 502.361 4.468 50 0 KIAAHM COCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000002342044 552098365 /nfs/dbraw/zinc/09/83/65/552098365.db2.gz XZOXZNOEVMHLMI-LJQANCHMSA-N -1 3 502.361 4.468 50 0 KIAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000002425895 552116725 /nfs/dbraw/zinc/11/67/25/552116725.db2.gz DCADHTLNFGSTNF-XPNTWCBSSA-N -1 3 508.914 4.107 50 0 KIAAHM Cn1nccc1C(=O)Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000002426670 552116959 /nfs/dbraw/zinc/11/69/59/552116959.db2.gz DZKDLLHIHSJKOT-GVAUOCQISA-N -1 3 528.952 4.344 50 0 KIAAHM O=C(CC[N-]S(=O)(=O)c1cc(Br)ccc1Br)NCc1cccc(C(F)(F)F)c1 ZINC000002618000 552137218 /nfs/dbraw/zinc/13/72/18/552137218.db2.gz QMKJDWOWDGROOJ-UHFFFAOYSA-N -1 3 544.187 4.215 50 0 KIAAHM NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)c2)cc1 ZINC000002647931 552145403 /nfs/dbraw/zinc/14/54/03/552145403.db2.gz LOVSUMSCKWXATA-UHFFFAOYSA-N -1 3 548.857 4.025 50 0 KIAAHM Cc1ccc(OCc2nc(SCC(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)n[n-]2)cc1 ZINC000002651443 552146620 /nfs/dbraw/zinc/14/66/20/552146620.db2.gz LADBLBMYLVFKIW-UHFFFAOYSA-N -1 3 507.538 4.278 50 0 KIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCS(=O)(=O)c3ccccc3Cl)cc2)cc1 ZINC000002653119 552147555 /nfs/dbraw/zinc/14/75/55/552147555.db2.gz QMHQQEMGHIAFNI-UHFFFAOYSA-N -1 3 523.032 4.342 50 0 KIAAHM O=c1nc(CSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)[n-]c2scc(-c3ccccc3)c21 ZINC000002659003 552149961 /nfs/dbraw/zinc/14/99/61/552149961.db2.gz RVJIOSNFCBMWNI-UHFFFAOYSA-N -1 3 545.690 4.376 50 0 KIAAHM CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3c(cnn3-c3ccccc3)c(=O)[n-]1)CCCC2 ZINC000002717791 552161981 /nfs/dbraw/zinc/16/19/81/552161981.db2.gz AJTQNZQRAKWUAL-UHFFFAOYSA-N -1 3 509.613 4.369 50 0 KIAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nc3c(cnn3-c3ccccc3)c(=O)[n-]1)CCC2 ZINC000002717795 552162011 /nfs/dbraw/zinc/16/20/11/552162011.db2.gz KCNAOMLWIOXIKM-CYBMUJFWSA-N -1 3 509.613 4.367 50 0 KIAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nc3c(cnn3-c3ccccc3)c(=O)[n-]1)CCC2 ZINC000002717796 552161950 /nfs/dbraw/zinc/16/19/50/552161950.db2.gz KCNAOMLWIOXIKM-ZDUSSCGKSA-N -1 3 509.613 4.367 50 0 KIAAHM CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[n-]1)CCC2 ZINC000002717869 552161936 /nfs/dbraw/zinc/16/19/36/552161936.db2.gz ZYOOCCBPRRGPTJ-UHFFFAOYSA-N -1 3 530.031 4.220 50 0 KIAAHM CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3c(cnn3-c3ccc(C)cc3)c(=O)[n-]1)CCC2 ZINC000002717947 552162331 /nfs/dbraw/zinc/16/23/31/552162331.db2.gz GNHBCKNBWBCJRF-UHFFFAOYSA-N -1 3 509.613 4.287 50 0 KIAAHM CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]1)CCCC2 ZINC000002718007 552162269 /nfs/dbraw/zinc/16/22/69/552162269.db2.gz AROQLFWKBPMVRI-UHFFFAOYSA-N -1 3 527.603 4.096 50 0 KIAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]1)CCCC2 ZINC000002718008 552162315 /nfs/dbraw/zinc/16/23/15/552162315.db2.gz YOZXYAWMAMRGFV-CYBMUJFWSA-N -1 3 541.630 4.484 50 0 KIAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]1)CCCC2 ZINC000002718009 552162298 /nfs/dbraw/zinc/16/22/98/552162298.db2.gz YOZXYAWMAMRGFV-ZDUSSCGKSA-N -1 3 541.630 4.484 50 0 KIAAHM CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]1)CCC2 ZINC000002718010 552162324 /nfs/dbraw/zinc/16/23/24/552162324.db2.gz GZNRFXUUQXHAPD-UHFFFAOYSA-N -1 3 513.576 4.118 50 0 KIAAHM CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]1)CCCCC2 ZINC000002718013 552162263 /nfs/dbraw/zinc/16/22/63/552162263.db2.gz HOSOFESFCHFHGY-UHFFFAOYSA-N -1 3 541.630 4.486 50 0 KIAAHM CCOC(=O)c1sc(NC(=O)CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]2)c(C(=O)OCC)c1C ZINC000002718014 552162292 /nfs/dbraw/zinc/16/22/92/552162292.db2.gz WZLSZNCWZKEEIA-UHFFFAOYSA-N -1 3 559.601 4.114 50 0 KIAAHM COc1ccc(-c2nnc([N-]C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)o2)c(OC)c1 ZINC000002723514 552165720 /nfs/dbraw/zinc/16/57/20/552165720.db2.gz YLZQAIJWSTXBPZ-UHFFFAOYSA-N -1 3 520.567 4.148 50 0 KIAAHM COc1ccc(-c2nnc([N-]C(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)o2)c(OC)c1 ZINC000002723517 552165635 /nfs/dbraw/zinc/16/56/35/552165635.db2.gz UHQBTXVQVQTTRI-UHFFFAOYSA-N -1 3 516.620 4.309 50 0 KIAAHM CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccc(OC)cc3OC)o2)cc1 ZINC000002723518 552165694 /nfs/dbraw/zinc/16/56/94/552165694.db2.gz MAAQTOHOSLYSIB-UHFFFAOYSA-N -1 3 522.583 4.217 50 0 KIAAHM COc1cc(OC)cc(-c2nnc([N-]C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)o2)c1 ZINC000002723531 552165646 /nfs/dbraw/zinc/16/56/46/552165646.db2.gz JVDVKOIGAANAFQ-UHFFFAOYSA-N -1 3 520.567 4.148 50 0 KIAAHM COc1cc(-c2nnc([N-]C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)o2)cc(OC)c1OC ZINC000002723547 552165877 /nfs/dbraw/zinc/16/58/77/552165877.db2.gz FMHGJECFJMRBKA-UHFFFAOYSA-N -1 3 550.593 4.156 50 0 KIAAHM Cc1sc2nc(C)n([N-]C(=O)CCn3nc(C(F)(F)F)c(Br)c3C3CC3)c(=O)c2c1C ZINC000002779116 552187942 /nfs/dbraw/zinc/18/79/42/552187942.db2.gz KPZCYUCEAVXZDS-UHFFFAOYSA-N -1 3 518.359 4.399 50 0 KIAAHM CCCc1cc2c(nc(C)n([N-]C(=O)[C@@H](C)n3nc(C(F)(F)F)c(Br)c3C)c2=O)s1 ZINC000002779309 552187956 /nfs/dbraw/zinc/18/79/56/552187956.db2.gz NXFIBJWSEZEHBZ-SECBINFHSA-N -1 3 506.348 4.336 50 0 KIAAHM CCCc1cc2c(nc(C)n([N-]C(=O)[C@H](C)n3nc(C(F)(F)F)c(Br)c3C)c2=O)s1 ZINC000002779310 552187966 /nfs/dbraw/zinc/18/79/66/552187966.db2.gz NXFIBJWSEZEHBZ-VIFPVBQESA-N -1 3 506.348 4.336 50 0 KIAAHM Cc1cc2c(nc(C)n([N-]C(=O)CCn3nc(C(F)(F)F)c(Br)c3C3CC3)c2=O)s1 ZINC000002780444 552188267 /nfs/dbraw/zinc/18/82/67/552188267.db2.gz QZVJCANFPXPMHL-UHFFFAOYSA-N -1 3 504.332 4.090 50 0 KIAAHM CCc1cc2c(nc(C)n([N-]C(=O)CCn3nc(C(F)(F)F)c(Br)c3C3CC3)c2=O)s1 ZINC000002780844 552188302 /nfs/dbraw/zinc/18/83/02/552188302.db2.gz VFWGSHOHQQPEQS-UHFFFAOYSA-N -1 3 518.359 4.344 50 0 KIAAHM Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)[N-]n1c(C)nc2sc3c(c2c1=O)CCCC3 ZINC000002781428 552188476 /nfs/dbraw/zinc/18/84/76/552188476.db2.gz CKNFVTURRLDQJE-UHFFFAOYSA-N -1 3 518.359 4.092 50 0 KIAAHM CCCc1cc2c(nc(C)n([N-]C(=O)CCn3nc(C(F)(F)F)c(Br)c3C)c2=O)s1 ZINC000002781758 552188527 /nfs/dbraw/zinc/18/85/27/552188527.db2.gz RNWHBEYBWGZCEM-UHFFFAOYSA-N -1 3 506.348 4.166 50 0 KIAAHM CCOc1cc(C2C(C(=O)OC)=CN(Cc3ccc(OC)cc3)C=C2C(=O)OC)cc(Br)c1[O-] ZINC000002796950 552192596 /nfs/dbraw/zinc/19/25/96/552192596.db2.gz AFIDCNOAJDTWCG-UHFFFAOYSA-N -1 3 532.387 4.275 50 0 KIAAHM COC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OC)C1c1cc(Br)c([O-])c(OC)c1 ZINC000002796969 552192630 /nfs/dbraw/zinc/19/26/30/552192630.db2.gz NVQGVRVEZBXDNN-UHFFFAOYSA-N -1 3 506.324 4.016 50 0 KIAAHM CCOc1cc(C2C(C(=O)OC)=CN(Cc3ccc(F)cc3)C=C2C(=O)OC)cc(Br)c1[O-] ZINC000002805673 552195719 /nfs/dbraw/zinc/19/57/19/552195719.db2.gz WRGGVKDKGBWWPK-UHFFFAOYSA-N -1 3 520.351 4.406 50 0 KIAAHM COc1cc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc(OC)c1OC ZINC000002847108 552200630 /nfs/dbraw/zinc/20/06/30/552200630.db2.gz WOXWZBZULAUVGK-UHFFFAOYSA-N -1 3 529.640 4.257 50 0 KIAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000002866339 552205398 /nfs/dbraw/zinc/20/53/98/552205398.db2.gz OIIZTRQASXUQCW-UHFFFAOYSA-N -1 3 514.047 4.485 50 0 KIAAHM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000002879601 552208462 /nfs/dbraw/zinc/20/84/62/552208462.db2.gz UDIMEKMNVFMVEI-HNNXBMFYSA-N -1 3 526.011 4.073 50 0 KIAAHM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000002879602 552208512 /nfs/dbraw/zinc/20/85/12/552208512.db2.gz UDIMEKMNVFMVEI-OAHLLOKOSA-N -1 3 526.011 4.073 50 0 KIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2)cc1 ZINC000002881832 552208842 /nfs/dbraw/zinc/20/88/42/552208842.db2.gz JIUVXELNPFOLJY-UHFFFAOYSA-N -1 3 514.047 4.485 50 0 KIAAHM COC(=O)c1cc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)ccc1Cl ZINC000002882262 552208846 /nfs/dbraw/zinc/20/88/46/552208846.db2.gz JVMZXLPISNAAJT-UHFFFAOYSA-N -1 3 511.785 4.121 50 0 KIAAHM Cc1c(C(=O)[N-]c2c(F)cc(F)cc2Br)sc2ncn(CC(=O)N3CCCCC3)c(=O)c12 ZINC000002922353 552221295 /nfs/dbraw/zinc/22/12/95/552221295.db2.gz HZBNCISIODREMV-UHFFFAOYSA-N -1 3 525.375 4.072 50 0 KIAAHM Cc1c(C(=O)[N-]c2c(F)cc(F)cc2Br)sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c12 ZINC000002922482 552221270 /nfs/dbraw/zinc/22/12/70/552221270.db2.gz CEDJSQABICWRTO-LLVKDONJSA-N -1 3 539.402 4.460 50 0 KIAAHM Cc1c(C(=O)[N-]c2c(F)cc(F)cc2Br)sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c12 ZINC000002922485 552221301 /nfs/dbraw/zinc/22/13/01/552221301.db2.gz CEDJSQABICWRTO-NSHDSACASA-N -1 3 539.402 4.460 50 0 KIAAHM Cc1c(C(=O)[N-]c2c(F)cc(F)cc2Br)sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c12 ZINC000002922604 552221264 /nfs/dbraw/zinc/22/12/64/552221264.db2.gz GXMZJSKIYIYDLZ-UHFFFAOYSA-N -1 3 539.402 4.318 50 0 KIAAHM CCOc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2[N-]C(=O)COc2ccccc2Br)cc1 ZINC000002932298 552226077 /nfs/dbraw/zinc/22/60/77/552226077.db2.gz MTAWWKLYDXTETA-UHFFFAOYSA-N -1 3 589.493 4.499 50 0 KIAAHM O=C(COc1ccccc1Br)[N-]n1c(=O)c2sccc2nc1SCC(=O)c1ccccc1 ZINC000002932357 552226390 /nfs/dbraw/zinc/22/63/90/552226390.db2.gz QTRHNJKKUCLZGT-UHFFFAOYSA-N -1 3 530.425 4.345 50 0 KIAAHM Cc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2[N-]C(=O)COc2ccccc2Br)cc1 ZINC000002932363 552226429 /nfs/dbraw/zinc/22/64/29/552226429.db2.gz QMFLSQYPUNOFGC-UHFFFAOYSA-N -1 3 573.494 4.087 50 0 KIAAHM O=C(COc1ccccc1Br)[N-]n1c(=O)c2sccc2nc1SCC(=O)c1ccc(F)cc1 ZINC000002932369 552226432 /nfs/dbraw/zinc/22/64/32/552226432.db2.gz KJSKWVYYZXEGQU-UHFFFAOYSA-N -1 3 548.415 4.484 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000002959863 552233387 /nfs/dbraw/zinc/23/33/87/552233387.db2.gz SFFFAEYLHUUQFM-SMIHKQSGSA-N -1 3 550.409 4.116 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@@H]3c2ccccc2OC)cc1 ZINC000002959873 552233397 /nfs/dbraw/zinc/23/33/97/552233397.db2.gz KXQUYMIMNUGWGO-SMIHKQSGSA-N -1 3 550.409 4.116 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000002959875 552233458 /nfs/dbraw/zinc/23/34/58/552233458.db2.gz XTHHBYJJFSQLMK-SDHSZQHLSA-N -1 3 580.435 4.125 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@@H]3c2ccc(F)cc2)cc1 ZINC000002959880 552233440 /nfs/dbraw/zinc/23/34/40/552233440.db2.gz XPRGBDDHMSETDJ-ZLNRFVROSA-N -1 3 538.373 4.247 50 0 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000008452198 553063139 /nfs/dbraw/zinc/06/31/39/553063139.db2.gz KIYQBSWZAHTBHW-XOYGFPHKSA-N -1 3 587.492 4.064 50 0 KIAAHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OCC ZINC000008452200 553063134 /nfs/dbraw/zinc/06/31/34/553063134.db2.gz KIYQBSWZAHTBHW-YJADQXIJSA-N -1 3 587.492 4.064 50 0 KIAAHM CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3cc(Br)ccc3[O-])c(=O)n21 ZINC000008452490 553064097 /nfs/dbraw/zinc/06/40/97/553064097.db2.gz AXBHPJHCWHZPHZ-XOYGFPHKSA-N -1 3 557.466 4.055 50 0 KIAAHM CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3cc(Br)ccc3[O-])c(=O)n21 ZINC000008452491 553064091 /nfs/dbraw/zinc/06/40/91/553064091.db2.gz AXBHPJHCWHZPHZ-YJADQXIJSA-N -1 3 557.466 4.055 50 0 KIAAHM CCOCCCNC(=O)[C@@H](c1ccc(C)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1[O-] ZINC000008591218 553082279 /nfs/dbraw/zinc/08/22/79/553082279.db2.gz DUGBBHZNMDHGNL-HHHXNRCGSA-N -1 3 504.583 4.356 50 0 KIAAHM CCOCCCNC(=O)[C@H](c1ccc(C)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1[O-] ZINC000008591220 553082259 /nfs/dbraw/zinc/08/22/59/553082259.db2.gz DUGBBHZNMDHGNL-MHZLTWQESA-N -1 3 504.583 4.356 50 0 KIAAHM CCOCCCNC(=O)[C@@H](c1ccc(OC)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1[O-] ZINC000008591254 553082229 /nfs/dbraw/zinc/08/22/29/553082229.db2.gz QAKGXJCKDSOMFZ-HHHXNRCGSA-N -1 3 520.582 4.056 50 0 KIAAHM CCOCCCNC(=O)[C@H](c1ccc(OC)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1[O-] ZINC000008591255 553082181 /nfs/dbraw/zinc/08/21/81/553082181.db2.gz QAKGXJCKDSOMFZ-MHZLTWQESA-N -1 3 520.582 4.056 50 0 KIAAHM COc1ccc(NC(=O)C2CCC(C[N-]S(=O)(=O)c3ccc(Br)s3)CC2)cc1OC ZINC000008594039 553087103 /nfs/dbraw/zinc/08/71/03/553087103.db2.gz UBZJPKRWCJOTFL-UHFFFAOYSA-N -1 3 517.467 4.251 50 0 KIAAHM COc1ccc(NC(=O)C2CCC(C[N-]S(=O)(=O)c3ccc(Br)s3)CC2)c(OC)c1 ZINC000008594050 553087479 /nfs/dbraw/zinc/08/74/79/553087479.db2.gz FMCXYZIJKFURRX-UHFFFAOYSA-N -1 3 517.467 4.251 50 0 KIAAHM COc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)cc1OC ZINC000008594079 553087408 /nfs/dbraw/zinc/08/74/08/553087408.db2.gz MSTIOBGXIWWLKZ-MRXNPFEDSA-N -1 3 525.446 4.056 50 0 KIAAHM COc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)cc1OC ZINC000008594081 553087477 /nfs/dbraw/zinc/08/74/77/553087477.db2.gz MSTIOBGXIWWLKZ-INIZCTEOSA-N -1 3 525.446 4.056 50 0 KIAAHM CC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000008594090 553087463 /nfs/dbraw/zinc/08/74/63/553087463.db2.gz PBKSOOSBRQGNRG-GOSISDBHSA-N -1 3 507.431 4.242 50 0 KIAAHM CC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000008594092 553087414 /nfs/dbraw/zinc/08/74/14/553087414.db2.gz PBKSOOSBRQGNRG-SFHVURJKSA-N -1 3 507.431 4.242 50 0 KIAAHM CCOc1ccccc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000008594094 553087431 /nfs/dbraw/zinc/08/74/31/553087431.db2.gz FLOYYMSRUPWQNA-QGZVFWFLSA-N -1 3 509.447 4.438 50 0 KIAAHM O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000008596451 553090416 /nfs/dbraw/zinc/09/04/16/553090416.db2.gz ANYGOVBQUUFIFW-SFHVURJKSA-N -1 3 522.530 4.118 50 0 KIAAHM O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000008596453 553090332 /nfs/dbraw/zinc/09/03/32/553090332.db2.gz ANYGOVBQUUFIFW-GOSISDBHSA-N -1 3 522.530 4.118 50 0 KIAAHM CCOc1ccccc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000008609552 553100196 /nfs/dbraw/zinc/10/01/96/553100196.db2.gz FLOYYMSRUPWQNA-KRWDZBQOSA-N -1 3 509.447 4.438 50 0 KIAAHM COc1ccc(C)cc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000008609555 553100212 /nfs/dbraw/zinc/10/02/12/553100212.db2.gz SIDRNWLIMOVMBS-QGZVFWFLSA-N -1 3 509.447 4.356 50 0 KIAAHM COc1ccc(C)cc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000008609557 553100226 /nfs/dbraw/zinc/10/02/26/553100226.db2.gz SIDRNWLIMOVMBS-KRWDZBQOSA-N -1 3 509.447 4.356 50 0 KIAAHM O=c1[n-]c([C@H]2CCCN(S(=O)(=O)c3ccccc3Cl)C2)nc2c1nnn2Cc1ccc(OC(F)(F)F)cc1 ZINC000008612779 553101723 /nfs/dbraw/zinc/10/17/23/553101723.db2.gz YYQJQZQBZOQDMX-HNNXBMFYSA-N -1 3 568.965 4.096 50 0 KIAAHM O=c1[n-]c([C@@H]2CCCN(S(=O)(=O)c3ccccc3Cl)C2)nc2c1nnn2Cc1ccc(OC(F)(F)F)cc1 ZINC000008612782 553101742 /nfs/dbraw/zinc/10/17/42/553101742.db2.gz YYQJQZQBZOQDMX-OAHLLOKOSA-N -1 3 568.965 4.096 50 0 KIAAHM O=C([O-])[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O[C@@H](CNCc1ccccc1)COCc1ccccc1 ZINC000008626883 553104588 /nfs/dbraw/zinc/10/45/88/553104588.db2.gz KVODDMVRUSVZDC-RWSKJCERSA-N -1 3 611.647 4.441 50 0 KIAAHM O=C([O-])[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O[C@@H](CNCc1ccccc1)COCc1ccccc1 ZINC000008626884 553104593 /nfs/dbraw/zinc/10/45/93/553104593.db2.gz KVODDMVRUSVZDC-OJDZSJEKSA-N -1 3 611.647 4.441 50 0 KIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)c3ccccc3Cl)c2)cc1 ZINC000008686848 553116161 /nfs/dbraw/zinc/11/61/61/553116161.db2.gz ODYJAKNNUGETDO-UHFFFAOYSA-N 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4.005 50 0 KIAAHM Cn1c(SCC(=O)Nc2nnc(-c3ccccc3)s2)nnc1-c1cc(Br)ccc1[O-] ZINC000009235767 553225410 /nfs/dbraw/zinc/22/54/10/553225410.db2.gz KDUQPRWOXLUFDO-UHFFFAOYSA-N -1 3 503.407 4.200 50 0 KIAAHM CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c1csc2[N-]C(=O)c1ccc(Br)o1 ZINC000009381537 553252807 /nfs/dbraw/zinc/25/28/07/553252807.db2.gz WRMAHJPAALOPSL-UHFFFAOYSA-N -1 3 506.309 4.371 50 0 KIAAHM O=C(C[C@H]1C(=O)N(Cc2ccccc2)C(=S)N1[N-]C(=O)c1ccccc1F)Nc1ccc(Cl)cc1 ZINC000009427973 553260223 /nfs/dbraw/zinc/26/02/23/553260223.db2.gz DNBBWJUTJUYGQF-NRFANRHFSA-N -1 3 510.978 4.151 50 0 KIAAHM O=C(C[C@@H]1C(=O)N(Cc2ccccc2)C(=S)N1[N-]C(=O)c1ccccc1F)Nc1ccc(Cl)cc1 ZINC000009427975 553260218 /nfs/dbraw/zinc/26/02/18/553260218.db2.gz DNBBWJUTJUYGQF-OAQYLSRUSA-N -1 3 510.978 4.151 50 0 KIAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccc(Cl)cc1)Nc1ccc(Br)cc1F ZINC000009434215 553263720 /nfs/dbraw/zinc/26/37/20/553263720.db2.gz ADVMUCPEOTWOFR-UHFFFAOYSA-N -1 3 508.760 4.395 50 0 KIAAHM 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CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)cc(Br)c1[O-] ZINC000009584330 553282645 /nfs/dbraw/zinc/28/26/45/553282645.db2.gz WWYFUKJIAYUYOR-LJQANCHMSA-N -1 3 500.353 4.081 50 0 KIAAHM CCOc1cc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)cc(Br)c1[O-] ZINC000009584334 553282652 /nfs/dbraw/zinc/28/26/52/553282652.db2.gz WWYFUKJIAYUYOR-IBGZPJMESA-N -1 3 500.353 4.081 50 0 KIAAHM Cc1ccc([C@@H](C(=O)Nc2ccc(C(C)C)cc2)N(Cc2ccco2)C(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000009601420 553286597 /nfs/dbraw/zinc/28/65/97/553286597.db2.gz AJVQODZINANHBY-ZCYQVOJMSA-N -1 3 502.571 4.018 50 0 KIAAHM Cc1ccc([C@H](C(=O)Nc2ccc(C(C)C)cc2)N(Cc2ccco2)C(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000009601421 553286619 /nfs/dbraw/zinc/28/66/19/553286619.db2.gz AJVQODZINANHBY-UKILVPOCSA-N -1 3 502.571 4.018 50 0 KIAAHM CCOc1ccc(OCC)c(NC(=O)[C@H]([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)c1 ZINC000009610636 553288760 /nfs/dbraw/zinc/28/87/60/553288760.db2.gz XVANEKFNGLFJGF-AREMUKBSSA-N -1 3 523.611 4.027 50 0 KIAAHM 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523.014 4.464 50 0 KIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(Cl)ccc1N(CCCOc1cccc3ccccc31)C2=O ZINC000009871930 553314135 /nfs/dbraw/zinc/31/41/35/553314135.db2.gz CMLCDBAFQLQYNK-SANMLTNESA-N -1 3 523.014 4.464 50 0 KIAAHM Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(S(N)(=O)=O)cc3)c(=O)[n-]2)cc1 ZINC000010708617 553338053 /nfs/dbraw/zinc/33/80/53/553338053.db2.gz FOGGLSFUWDWJTG-QFIPXVFZSA-N -1 3 605.727 4.008 50 0 KIAAHM Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(S(N)(=O)=O)cc3)c(=O)[n-]2)cc1 ZINC000010708618 553338070 /nfs/dbraw/zinc/33/80/70/553338070.db2.gz FOGGLSFUWDWJTG-JOCHJYFZSA-N -1 3 605.727 4.008 50 0 KIAAHM CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2[N-]C(=O)c1ccc(Br)o1 ZINC000011758003 553341758 /nfs/dbraw/zinc/34/17/58/553341758.db2.gz PEECUUKODKJLMI-UHFFFAOYSA-N -1 3 518.345 4.240 50 0 KIAAHM O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000011758399 553342203 /nfs/dbraw/zinc/34/22/03/553342203.db2.gz FKGXFYGGBKIFAB-UHFFFAOYSA-N 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CC(=O)Nc1cccc(OCCC[N-]S(=O)(=O)c2ccc(N(C)C(=O)c3ccc(Cl)cc3)s2)c1 ZINC000012340429 553358704 /nfs/dbraw/zinc/35/87/04/553358704.db2.gz CVPJKFYKCQDWHE-UHFFFAOYSA-N -1 3 522.048 4.384 50 0 KIAAHM COc1ccc(-c2nnc([N-]C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)o2)cc1OC ZINC000012378271 553361875 /nfs/dbraw/zinc/36/18/75/553361875.db2.gz ZIXRBDGSAZHUKB-UHFFFAOYSA-N -1 3 520.567 4.148 50 0 KIAAHM O=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)[N-]CC23CC4CC(CC(C4)C2)C3)c(Cl)cc1Cl ZINC000012428253 553366044 /nfs/dbraw/zinc/36/60/44/553366044.db2.gz GNWVLVIVAOKUBS-YWWNBQKISA-N -1 3 501.476 4.397 50 0 KIAAHM O=C(NC[C@H]1CCCO1)c1cc(S(=O)(=O)[N-]CC23CC4CC(CC(C4)C2)C3)c(Cl)cc1Cl ZINC000012428254 553366021 /nfs/dbraw/zinc/36/60/21/553366021.db2.gz GNWVLVIVAOKUBS-OQLYILNASA-N -1 3 501.476 4.397 50 0 KIAAHM O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000012428539 553366014 /nfs/dbraw/zinc/36/60/14/553366014.db2.gz YWTMMTCNGJQTKW-UHFFFAOYSA-N -1 3 504.823 4.176 50 0 KIAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(CC)CC(=O)NCc3cccs3)ccc2C)cc1 ZINC000012525900 553383961 /nfs/dbraw/zinc/38/39/61/553383961.db2.gz HKQLWMONGIQLGQ-UHFFFAOYSA-N -1 3 515.657 4.035 50 0 KIAAHM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccccc3OC)N3CCCC3)c2)cc1 ZINC000012526165 553384244 /nfs/dbraw/zinc/38/42/44/553384244.db2.gz ALVFMOLHWZKVSE-RUZDIDTESA-N -1 3 509.628 4.072 50 0 KIAAHM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccccc3OC)N3CCCC3)c2)cc1 ZINC000012526166 553384269 /nfs/dbraw/zinc/38/42/69/553384269.db2.gz ALVFMOLHWZKVSE-VWLOTQADSA-N -1 3 509.628 4.072 50 0 KIAAHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)ccc2C)cc1 ZINC000012526168 553384252 /nfs/dbraw/zinc/38/42/52/553384252.db2.gz XCQQWOPAYOLFKX-RMKNXTFCSA-N -1 3 505.640 4.276 50 0 KIAAHM O=C(NC[C@H](c1ccco1)N1CCCC1)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000012526205 553384264 /nfs/dbraw/zinc/38/42/64/553384264.db2.gz GPCQCHIOFICVCZ-OAQYLSRUSA-N -1 3 518.433 4.410 50 0 KIAAHM O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000012526206 553384258 /nfs/dbraw/zinc/38/42/58/553384258.db2.gz GPCQCHIOFICVCZ-NRFANRHFSA-N -1 3 518.433 4.410 50 0 KIAAHM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccc(OC)cc3)N3CCCC3)c2)cc1 ZINC000012526211 553384153 /nfs/dbraw/zinc/38/41/53/553384153.db2.gz DKNHXDQKHWQUII-AREMUKBSSA-N -1 3 509.628 4.072 50 0 KIAAHM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCC3)c2)cc1 ZINC000012526212 553384207 /nfs/dbraw/zinc/38/42/07/553384207.db2.gz DKNHXDQKHWQUII-SANMLTNESA-N -1 3 509.628 4.072 50 0 KIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccc(OC)cc3)N3CCCC3)cc2)cc1 ZINC000012526226 553384133 /nfs/dbraw/zinc/38/41/33/553384133.db2.gz RPKKVOPUWHSAFZ-HHHXNRCGSA-N -1 3 523.655 4.462 50 0 KIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCC3)cc2)cc1 ZINC000012526227 553384060 /nfs/dbraw/zinc/38/40/60/553384060.db2.gz RPKKVOPUWHSAFZ-MHZLTWQESA-N -1 3 523.655 4.462 50 0 KIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccccc3OC)N3CCCC3)cc2)cc1 ZINC000012526392 553384050 /nfs/dbraw/zinc/38/40/50/553384050.db2.gz WLIMDFKZIHFJOQ-AREMUKBSSA-N -1 3 523.655 4.462 50 0 KIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3OC)N3CCCC3)cc2)cc1 ZINC000012526393 553384184 /nfs/dbraw/zinc/38/41/84/553384184.db2.gz WLIMDFKZIHFJOQ-SANMLTNESA-N -1 3 523.655 4.462 50 0 KIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)c2)cc1 ZINC000012532603 553386822 /nfs/dbraw/zinc/38/68/22/553386822.db2.gz FJAZRSBCJXVTOR-UHFFFAOYSA-N -1 3 513.660 4.059 50 0 KIAAHM COc1ccc([C@@H](CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3OC)c2)N2CCCC2)cc1 ZINC000012535965 553387572 /nfs/dbraw/zinc/38/75/72/553387572.db2.gz XOJAQUUBUVHZLF-RUZDIDTESA-N -1 3 523.655 4.380 50 0 KIAAHM COc1ccc([C@H](CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3OC)c2)N2CCCC2)cc1 ZINC000012535966 553387626 /nfs/dbraw/zinc/38/76/26/553387626.db2.gz XOJAQUUBUVHZLF-VWLOTQADSA-N -1 3 523.655 4.380 50 0 KIAAHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)cc1 ZINC000012541560 553389617 /nfs/dbraw/zinc/38/96/17/553389617.db2.gz ZYNFHYFGRFEDPO-UHFFFAOYSA-N -1 3 508.581 4.010 50 0 KIAAHM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(N2CCOCC2)c(NC(=S)NCc2ccco2)c1 ZINC000012542215 553390227 /nfs/dbraw/zinc/39/02/27/553390227.db2.gz CHEIRXPKOBWTJX-UHFFFAOYSA-N -1 3 507.037 4.057 50 0 KIAAHM CC(C)[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1)C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000012542256 553390495 /nfs/dbraw/zinc/39/04/95/553390495.db2.gz SYZMOAVHUQPYKW-MNUOXJLESA-N -1 3 506.624 4.050 50 0 KIAAHM O=C(NC[C@H](c1ccco1)N1CCCC1)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000012544801 553391237 /nfs/dbraw/zinc/39/12/37/553391237.db2.gz BDLWOGFBCAQGHD-OAQYLSRUSA-N -1 3 518.433 4.410 50 0 KIAAHM O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000012544802 553391216 /nfs/dbraw/zinc/39/12/16/553391216.db2.gz BDLWOGFBCAQGHD-NRFANRHFSA-N -1 3 518.433 4.410 50 0 KIAAHM COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)N2CCCC2)cc1 ZINC000012544856 553391225 /nfs/dbraw/zinc/39/12/25/553391225.db2.gz YNTLVLDWBSZAMP-RUZDIDTESA-N -1 3 509.628 4.072 50 0 KIAAHM COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)N2CCCC2)cc1 ZINC000012544857 553391241 /nfs/dbraw/zinc/39/12/41/553391241.db2.gz YNTLVLDWBSZAMP-VWLOTQADSA-N -1 3 509.628 4.072 50 0 KIAAHM CCOc1ncccc1C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000012549005 553392533 /nfs/dbraw/zinc/39/25/33/553392533.db2.gz HERYHAYXULWGRD-UHFFFAOYSA-N -1 3 517.007 4.023 50 0 KIAAHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012562839 553395179 /nfs/dbraw/zinc/39/51/79/553395179.db2.gz RNUZAWDNSXEITB-UHFFFAOYSA-N -1 3 520.032 4.178 50 0 KIAAHM CCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012563006 553395350 /nfs/dbraw/zinc/39/53/50/553395350.db2.gz SYEUQVQJQOHQMZ-UHFFFAOYSA-N -1 3 513.591 4.377 50 0 KIAAHM COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000012565359 553396613 /nfs/dbraw/zinc/39/66/13/553396613.db2.gz PJCLZBYHWONQBM-CQSZACIVSA-N -1 3 506.939 4.473 50 0 KIAAHM COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000012565361 553396630 /nfs/dbraw/zinc/39/66/30/553396630.db2.gz PJCLZBYHWONQBM-AWEZNQCLSA-N -1 3 506.939 4.473 50 0 KIAAHM CCn1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)c(=O)c2ccc(C)nc21 ZINC000012568362 553397702 /nfs/dbraw/zinc/39/77/02/553397702.db2.gz FQWJYLFITDHOLB-UHFFFAOYSA-N -1 3 506.584 4.095 50 0 KIAAHM CCOc1ccccc1N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)CC1 ZINC000012568707 553397931 /nfs/dbraw/zinc/39/79/31/553397931.db2.gz IUGDBWKNMLIBHX-UHFFFAOYSA-N -1 3 509.628 4.166 50 0 KIAAHM O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1)c1cccnc1 ZINC000012582922 553399437 /nfs/dbraw/zinc/39/94/37/553399437.db2.gz YTUMXSPPXWLPLC-UHFFFAOYSA-N -1 3 507.399 4.278 50 0 KIAAHM O=C(COC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])NC12CC3CC(CC(C3)C1)C2 ZINC000012592271 553400598 /nfs/dbraw/zinc/40/05/98/553400598.db2.gz URQFQHYBBVBMCA-UHFFFAOYSA-N -1 3 519.019 4.088 50 0 KIAAHM COc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)c(OC)c1OC ZINC000012600021 553401297 /nfs/dbraw/zinc/40/12/97/553401297.db2.gz FSFDDMUFADUIOC-UHFFFAOYSA-N -1 3 502.564 4.233 50 0 KIAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)ccc2C)cc1 ZINC000012600053 553401256 /nfs/dbraw/zinc/40/12/56/553401256.db2.gz UMRSMBLRVCRPFS-UHFFFAOYSA-N -1 3 500.573 4.011 50 0 KIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3)c(NC(=S)NC(=O)C3CCCCC3)c2)cc1 ZINC000012620935 553403528 /nfs/dbraw/zinc/40/35/28/553403528.db2.gz XDWKGQPNENLAGU-UHFFFAOYSA-N -1 3 516.689 4.490 50 0 KIAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(S(N)(=O)=O)c3)c2)cc1 ZINC000012621185 553403702 /nfs/dbraw/zinc/40/37/02/553403702.db2.gz GOTSGUFTDOUUPC-UHFFFAOYSA-N -1 3 501.630 4.038 50 0 KIAAHM CCN(CC)c1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)[N-]c3ccc(OC)cc3)ccc2C)cc1 ZINC000012622111 553403909 /nfs/dbraw/zinc/40/39/09/553403909.db2.gz QWNGLZNCAAFGAU-UHFFFAOYSA-N -1 3 525.627 4.446 50 0 KIAAHM CCOC(=O)c1c(C)oc2nc(CN(c3ccc(OC)cc3)S(=O)(=O)c3cc(C)ccc3C)[n-]c(=O)c21 ZINC000012636690 553407035 /nfs/dbraw/zinc/40/70/35/553407035.db2.gz YLCOBFHVTMSIAW-UHFFFAOYSA-N -1 3 525.583 4.022 50 0 KIAAHM COc1ccc(-c2nc(NC(=O)[C@@H](CCSC)[N-]S(=O)(=O)c3ccccc3F)sc2C)cc1 ZINC000012638633 553407856 /nfs/dbraw/zinc/40/78/56/553407856.db2.gz LRROWKJZRGGWEC-GOSISDBHSA-N -1 3 509.650 4.305 50 0 KIAAHM COc1ccc(-c2nc(NC(=O)[C@H](CCSC)[N-]S(=O)(=O)c3ccccc3F)sc2C)cc1 ZINC000012638641 553407916 /nfs/dbraw/zinc/40/79/16/553407916.db2.gz LRROWKJZRGGWEC-SFHVURJKSA-N -1 3 509.650 4.305 50 0 KIAAHM CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000012658200 553411291 /nfs/dbraw/zinc/41/12/91/553411291.db2.gz NPIUVOYOFGOGOZ-UHFFFAOYSA-N -1 3 508.021 4.314 50 0 KIAAHM CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000012661075 553412128 /nfs/dbraw/zinc/41/21/28/553412128.db2.gz QFXSMHRUHSRDTI-UHFFFAOYSA-N -1 3 509.005 4.127 50 0 KIAAHM COc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)c(OC)c1OC ZINC000012750870 553420563 /nfs/dbraw/zinc/42/05/63/553420563.db2.gz RQZNUNOBEIUNBH-UHFFFAOYSA-N -1 3 504.992 4.439 50 0 KIAAHM CCOC(=O)[N-]C(=O)C(=CNc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1)C(=O)NC(=O)OCC ZINC000012860045 553422718 /nfs/dbraw/zinc/42/27/18/553422718.db2.gz HNOFEWNUMVKHDY-UHFFFAOYSA-N -1 3 544.870 4.387 50 0 KIAAHM CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c2)ccc1C ZINC000012907561 553426916 /nfs/dbraw/zinc/42/69/16/553426916.db2.gz CRCWLPGJWPDXLS-UHFFFAOYSA-N -1 3 516.085 4.008 50 0 KIAAHM C[C@@H](OC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccc2ccccc2c1 ZINC000012912217 553427072 /nfs/dbraw/zinc/42/70/72/553427072.db2.gz JOHFTAUZEIUPJN-KBMIEXCESA-N -1 3 520.582 4.439 50 0 KIAAHM C[C@H](OC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccc2ccccc2c1 ZINC000012912222 553427051 /nfs/dbraw/zinc/42/70/51/553427051.db2.gz JOHFTAUZEIUPJN-UQBPGWFLSA-N -1 3 520.582 4.439 50 0 KIAAHM C[C@@H](OC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccc2ccccc2c1 ZINC000012912226 553427064 /nfs/dbraw/zinc/42/70/64/553427064.db2.gz JOHFTAUZEIUPJN-CLOONOSVSA-N -1 3 520.582 4.439 50 0 KIAAHM C[C@H](OC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccc2ccccc2c1 ZINC000012912230 553427079 /nfs/dbraw/zinc/42/70/79/553427079.db2.gz JOHFTAUZEIUPJN-DFBJGRDBSA-N -1 3 520.582 4.439 50 0 KIAAHM O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000013010986 553432405 /nfs/dbraw/zinc/43/24/05/553432405.db2.gz KNMMJQLPHYORSO-OAQYLSRUSA-N -1 3 506.049 4.006 50 0 KIAAHM O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000013010988 553432424 /nfs/dbraw/zinc/43/24/24/553432424.db2.gz KNMMJQLPHYORSO-NRFANRHFSA-N -1 3 506.049 4.006 50 0 KIAAHM O=C(COc1cccc(F)c1)Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000013068364 553444498 /nfs/dbraw/zinc/44/44/98/553444498.db2.gz AVCVBLBOKMJUDG-UHFFFAOYSA-N -1 3 519.982 4.134 50 0 KIAAHM CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)cc1 ZINC000013109527 553448018 /nfs/dbraw/zinc/44/80/18/553448018.db2.gz OAJFCIAMLLLHHD-UHFFFAOYSA-N -1 3 522.048 4.424 50 0 KIAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)ccc2C)cc1 ZINC000013109538 553448044 /nfs/dbraw/zinc/44/80/44/553448044.db2.gz IQOAPXJBLUHLHS-UHFFFAOYSA-N -1 3 509.005 4.114 50 0 KIAAHM O=C(COc1ccccc1C(=O)OCc1nc2ccsc2c(=O)[n-]1)Nc1cccc(C(F)(F)F)c1 ZINC000013109617 553448073 /nfs/dbraw/zinc/44/80/73/553448073.db2.gz WYWJSLUEEVIGJN-UHFFFAOYSA-N -1 3 503.458 4.378 50 0 KIAAHM CCOC(=O)c1cc(NC(=O)N(CC)c2ccc([C@@]([O-])(C(=O)OCC)C(F)(F)F)cc2)c(C)nc1C ZINC000013114525 553448768 /nfs/dbraw/zinc/44/87/68/553448768.db2.gz QOBBJWUGQMOUBU-HSZRJFAPSA-N -1 3 511.497 4.247 50 0 KIAAHM CCOC(=O)c1cc(NC(=O)N(CC)c2ccc([C@]([O-])(C(=O)OCC)C(F)(F)F)cc2)c(C)nc1C ZINC000013114526 553448758 /nfs/dbraw/zinc/44/87/58/553448758.db2.gz QOBBJWUGQMOUBU-QHCPKHFHSA-N -1 3 511.497 4.247 50 0 KIAAHM COc1ccc(NC(=O)COc2ccc(C(C)=O)cc2OC)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000013129547 553450821 /nfs/dbraw/zinc/45/08/21/553450821.db2.gz RBMVNNQRKCMDPW-UHFFFAOYSA-N -1 3 518.975 4.378 50 0 KIAAHM Cc1ccc(-c2cc(NC(=O)COC(=O)c3cccc([N-]S(C)(=O)=O)c3)n(-c3ccccc3)n2)cc1 ZINC000013131852 553451375 /nfs/dbraw/zinc/45/13/75/553451375.db2.gz HKVHVPUCWOLEGS-UHFFFAOYSA-N -1 3 504.568 4.015 50 0 KIAAHM COc1ccccc1[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1)N1CCCC1 ZINC000013134458 553452137 /nfs/dbraw/zinc/45/21/37/553452137.db2.gz YJNJBPVVJGYQHI-AREMUKBSSA-N -1 3 521.639 4.266 50 0 KIAAHM COc1ccccc1[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1)N1CCCC1 ZINC000013134459 553452097 /nfs/dbraw/zinc/45/20/97/553452097.db2.gz YJNJBPVVJGYQHI-SANMLTNESA-N -1 3 521.639 4.266 50 0 KIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3cc(Cl)c(OC)c(OC)c3)c2)cc1 ZINC000013141760 553454405 /nfs/dbraw/zinc/45/44/05/553454405.db2.gz UYBUFAZUZYFXOZ-UHFFFAOYSA-N -1 3 506.964 4.428 50 0 KIAAHM COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1[N-]C(=O)c1nc2nc(C)cc(C)n2n1 ZINC000013145611 553454764 /nfs/dbraw/zinc/45/47/64/553454764.db2.gz PSSBUSKIJPXANW-UHFFFAOYSA-N -1 3 513.341 4.339 50 0 KIAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000013778995 553490430 /nfs/dbraw/zinc/49/04/30/553490430.db2.gz DCADHTLNFGSTNF-XJUOHMSHSA-N -1 3 508.914 4.107 50 0 KIAAHM Cc1ccc([C@@H](C(=O)Nc2ccc(C(C)C)cc2)N(Cc2ccco2)C(=O)C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000013880183 553493851 /nfs/dbraw/zinc/49/38/51/553493851.db2.gz AJVQODZINANHBY-NOZRDPDXSA-N -1 3 502.571 4.018 50 0 KIAAHM Cc1ccc([C@H](C(=O)Nc2ccc(C(C)C)cc2)N(Cc2ccco2)C(=O)C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000013880185 553493885 /nfs/dbraw/zinc/49/38/85/553493885.db2.gz AJVQODZINANHBY-ILBGXUMGSA-N -1 3 502.571 4.018 50 0 KIAAHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000013894748 553494548 /nfs/dbraw/zinc/49/45/48/553494548.db2.gz YZPNDWRPHCKWDJ-UHFFFAOYSA-N -1 3 515.657 4.126 50 0 KIAAHM CCN(Cc1ccccc1)C(=O)C1CCN(C(=O)C(=C([O-])c2ccccc2)n2cc(Cl)ccc2=O)CC1 ZINC000013895721 553494751 /nfs/dbraw/zinc/49/47/51/553494751.db2.gz JMGQYNURRFAGAE-AREMUKBSSA-N -1 3 520.029 4.213 50 0 KIAAHM CCN(Cc1ccccc1)C(=O)C1CCN(C(=O)C(=C([O-])c2ccccc2)n2cc(Cl)ccc2=O)CC1 ZINC000013895727 553494721 /nfs/dbraw/zinc/49/47/21/553494721.db2.gz JMGQYNURRFAGAE-SANMLTNESA-N -1 3 520.029 4.213 50 0 KIAAHM CCOc1ccc(-c2nc(COC(=O)C[N-]S(=O)(=O)/C=C/c3ccc(C)cc3)cs2)cc1OC ZINC000014201320 553506403 /nfs/dbraw/zinc/50/64/03/553506403.db2.gz DEMWDEJUMOSQFN-VAWYXSNFSA-N -1 3 502.614 4.159 50 0 KIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3)c(NC(=O)c3cc4ccccc4oc3=O)c2)cc1 ZINC000014361152 553514303 /nfs/dbraw/zinc/51/43/03/553514303.db2.gz POFDNQKYZAXUQM-UHFFFAOYSA-N -1 3 519.579 4.455 50 0 KIAAHM Cc1c(NC(=O)CSc2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)c(=O)n(-c2ccccc2)n1C ZINC000014945362 553522151 /nfs/dbraw/zinc/52/21/51/553522151.db2.gz PIQLAQLHTKOWPB-UHFFFAOYSA-N -1 3 509.657 4.172 50 0 KIAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCCOc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1 ZINC000014997837 553524571 /nfs/dbraw/zinc/52/45/71/553524571.db2.gz AWHGSNGMJYYWME-UHFFFAOYSA-N -1 3 519.067 4.014 50 0 KIAAHM CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)OC)=C(C)N=3)cc(Cl)c1[O-] ZINC000015218957 553528660 /nfs/dbraw/zinc/52/86/60/553528660.db2.gz UJBQXTHBRJRFBE-QCHPHUCNSA-N -1 3 527.042 4.289 50 0 KIAAHM CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OC)=C(C)N=3)cc(Cl)c1[O-] ZINC000015218959 553528671 /nfs/dbraw/zinc/52/86/71/553528671.db2.gz UJBQXTHBRJRFBE-VZIOXZNFSA-N -1 3 527.042 4.289 50 0 KIAAHM O=c1[n-]c(=O)n(Cc2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1cccc(Cl)c1)N2 ZINC000015304770 553531103 /nfs/dbraw/zinc/53/11/03/553531103.db2.gz QCJWQQIFVXANIG-UHFFFAOYSA-N -1 3 502.802 4.431 50 0 KIAAHM COc1ccc(-c2nc3scc(CC[N-]S(=O)(=O)c4cc(Cl)ccc4Cl)n3n2)cc1OC ZINC000015881831 553540118 /nfs/dbraw/zinc/54/01/18/553540118.db2.gz QIXRTLZBJIBJAR-UHFFFAOYSA-N -1 3 513.428 4.303 50 0 KIAAHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)N[C@@H](C)CCc2ccccc2)c(Cl)cc1Cl ZINC000015980716 553548629 /nfs/dbraw/zinc/54/86/29/553548629.db2.gz FBBBFESYTNQXEH-INIZCTEOSA-N -1 3 515.459 4.222 50 0 KIAAHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)N[C@H](C)CCc2ccccc2)c(Cl)cc1Cl ZINC000015980718 553548636 /nfs/dbraw/zinc/54/86/36/553548636.db2.gz FBBBFESYTNQXEH-MRXNPFEDSA-N -1 3 515.459 4.222 50 0 KIAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000016006864 553550274 /nfs/dbraw/zinc/55/02/74/553550274.db2.gz DKZLILOJMLTBJU-NJBJSMFESA-N -1 3 512.537 4.405 50 0 KIAAHM COc1ccccc1C(=O)Oc1coc(CSc2nnc([N-]C(=O)c3cccs3)s2)cc1=O ZINC000016047911 553554821 /nfs/dbraw/zinc/55/48/21/553554821.db2.gz RPGZMDPJHHDHGX-UHFFFAOYSA-N -1 3 501.567 4.325 50 0 KIAAHM COc1cccc(C(=O)Oc2coc(CSc3nnc([N-]C(=O)c4cccs4)s3)cc2=O)c1 ZINC000016047912 553554830 /nfs/dbraw/zinc/55/48/30/553554830.db2.gz YTEVSGGVGYTXPC-UHFFFAOYSA-N -1 3 501.567 4.325 50 0 KIAAHM C[C@@H](Oc1ccccc1)C(=O)Oc1coc(CSc2nnc([N-]C(=O)c3cccs3)s2)cc1=O ZINC000016047922 553554790 /nfs/dbraw/zinc/55/47/90/553554790.db2.gz AZZGSEQPLMINNE-CYBMUJFWSA-N -1 3 515.594 4.470 50 0 KIAAHM C[C@H](Oc1ccccc1)C(=O)Oc1coc(CSc2nnc([N-]C(=O)c3cccs3)s2)cc1=O ZINC000016047923 553554813 /nfs/dbraw/zinc/55/48/13/553554813.db2.gz AZZGSEQPLMINNE-ZDUSSCGKSA-N -1 3 515.594 4.470 50 0 KIAAHM Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC1 ZINC000016400919 553562647 /nfs/dbraw/zinc/56/26/47/553562647.db2.gz ZCBVPEYWXKDCNB-UHFFFAOYSA-N -1 3 518.010 4.316 50 0 KIAAHM COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)c1[O-] ZINC000016606807 553568989 /nfs/dbraw/zinc/56/89/89/553568989.db2.gz MUALDPCZFXEAEJ-INIZCTEOSA-N -1 3 500.271 4.449 50 0 KIAAHM COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)c1[O-] ZINC000016606811 553568957 /nfs/dbraw/zinc/56/89/57/553568957.db2.gz MUALDPCZFXEAEJ-MRXNPFEDSA-N -1 3 500.271 4.449 50 0 KIAAHM CCOC(=O)c1ccc(-c2ccc([C@@H]3NC(=O)N[C@@](O)(C(F)(F)F)C3=C([O-])c3ccccc3)o2)cc1 ZINC000016732007 553577485 /nfs/dbraw/zinc/57/74/85/553577485.db2.gz BRCFBOQACZKSIO-SKPFHBQLSA-N -1 3 502.445 4.227 50 0 KIAAHM CCOC(=O)c1ccc(-c2ccc([C@@H]3NC(=O)N[C@](O)(C(F)(F)F)C3=C([O-])c3ccccc3)o2)cc1 ZINC000016732012 553577482 /nfs/dbraw/zinc/57/74/82/553577482.db2.gz BRCFBOQACZKSIO-MZLICYQSSA-N -1 3 502.445 4.227 50 0 KIAAHM Cc1cc(N(C)C)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(I)cc3)cc2)n1 ZINC000017013761 553586576 /nfs/dbraw/zinc/58/65/76/553586576.db2.gz LHLMTVFQDCIWIP-UHFFFAOYSA-N -1 3 509.373 4.000 50 0 KIAAHM CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)OC)=C(C)N=3)cc(Cl)c1[O-] ZINC000017145741 553589170 /nfs/dbraw/zinc/58/91/70/553589170.db2.gz UJBQXTHBRJRFBE-FJWZAKCXSA-N -1 3 527.042 4.289 50 0 KIAAHM CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OC)=C(C)N=3)cc(Cl)c1[O-] ZINC000017145743 553589061 /nfs/dbraw/zinc/58/90/61/553589061.db2.gz UJBQXTHBRJRFBE-RQLGBQGVSA-N -1 3 527.042 4.289 50 0 KIAAHM O=C(CCCCCn1c(=O)c2cc(N3CCOCC3)ccc2[n-]c1=S)NC1CCN(Cc2ccccc2)CC1 ZINC000017337592 553593710 /nfs/dbraw/zinc/59/37/10/553593710.db2.gz ZPWIQZCZWIGCSP-UHFFFAOYSA-N -1 3 549.741 4.237 50 0 KIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)c3ccccc3Br)c2)cc1 ZINC000017466011 553596599 /nfs/dbraw/zinc/59/65/99/553596599.db2.gz WVGLJQQEJDSKIU-UHFFFAOYSA-N -1 3 546.443 4.347 50 0 KIAAHM CCN(C(=O)COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1Cl)C1CCCCC1 ZINC000017527639 553597205 /nfs/dbraw/zinc/59/72/05/553597205.db2.gz PZZULCQDQNTFAV-UHFFFAOYSA-N -1 3 589.114 4.277 50 0 KIAAHM COc1cc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1[O-] ZINC000018096092 553604107 /nfs/dbraw/zinc/60/41/07/553604107.db2.gz BLSRMBJWZKNMQD-XPNTWCBSSA-N -1 3 509.356 4.210 50 0 KIAAHM COc1cccc(C2=NC(C(F)(F)F)(C(F)(F)F)c3c(=O)[n-]c(=O)n(-c4ccc(C)c(C)c4)c3N2)c1 ZINC000019849003 553623847 /nfs/dbraw/zinc/62/38/47/553623847.db2.gz XWOIIOUGYNXFDA-UHFFFAOYSA-N -1 3 512.410 4.343 50 0 KIAAHM O=C(C1CCC(C[N-]S(=O)(=O)c2ccc(Br)s2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000020154325 553598625 /nfs/dbraw/zinc/59/86/25/553598625.db2.gz MPVHFERWIVFXGJ-UHFFFAOYSA-N -1 3 532.570 4.072 50 0 KIAAHM O=C(Nc1ccc(Cl)cn1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000020154330 553598573 /nfs/dbraw/zinc/59/85/73/553598573.db2.gz LLSNJWXOLPEVNT-CQSZACIVSA-N -1 3 500.827 4.087 50 0 KIAAHM O=C(Nc1ccc(Cl)cn1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000020154332 553598568 /nfs/dbraw/zinc/59/85/68/553598568.db2.gz LLSNJWXOLPEVNT-AWEZNQCLSA-N -1 3 500.827 4.087 50 0 KIAAHM CC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000020154334 553598631 /nfs/dbraw/zinc/59/86/31/553598631.db2.gz KGLAUMXWFYZPPA-GOSISDBHSA-N -1 3 507.431 4.242 50 0 KIAAHM CC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000020154336 553598647 /nfs/dbraw/zinc/59/86/47/553598647.db2.gz KGLAUMXWFYZPPA-SFHVURJKSA-N -1 3 507.431 4.242 50 0 KIAAHM CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000020154388 553598616 /nfs/dbraw/zinc/59/86/16/553598616.db2.gz KEZCFCMLBRHIPC-GOSISDBHSA-N -1 3 509.447 4.438 50 0 KIAAHM CCOc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000020154390 553598562 /nfs/dbraw/zinc/59/85/62/553598562.db2.gz KEZCFCMLBRHIPC-SFHVURJKSA-N -1 3 509.447 4.438 50 0 KIAAHM O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000020235418 553621664 /nfs/dbraw/zinc/62/16/64/553621664.db2.gz QGPVGEZEBKLTCJ-GOSISDBHSA-N -1 3 506.531 4.238 50 0 KIAAHM O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000020235421 553621599 /nfs/dbraw/zinc/62/15/99/553621599.db2.gz QGPVGEZEBKLTCJ-SFHVURJKSA-N -1 3 506.531 4.238 50 0 KIAAHM O=C([C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000020235538 553621974 /nfs/dbraw/zinc/62/19/74/553621974.db2.gz SCVPQVGZOUZMRU-DEOSSOPVSA-N -1 3 506.653 4.192 50 0 KIAAHM O=C([C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21)N1CCC(Cc2ccccc2)CC1 ZINC000020235541 553622065 /nfs/dbraw/zinc/62/20/65/553622065.db2.gz NTWLMQFECPYLAS-XMMPIXPASA-N -1 3 520.680 4.062 50 0 KIAAHM O=C([C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21)N1CCC(Cc2ccccc2)CC1 ZINC000020235544 553622077 /nfs/dbraw/zinc/62/20/77/553622077.db2.gz NTWLMQFECPYLAS-DEOSSOPVSA-N -1 3 520.680 4.062 50 0 KIAAHM O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000020235706 553622517 /nfs/dbraw/zinc/62/25/17/553622517.db2.gz HYDOWUFXIKDYFX-GOSISDBHSA-N -1 3 506.531 4.238 50 0 KIAAHM O=C(Nc1ccc(C(F)(F)F)cc1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000020235710 553622478 /nfs/dbraw/zinc/62/24/78/553622478.db2.gz HYDOWUFXIKDYFX-SFHVURJKSA-N -1 3 506.531 4.238 50 0 KIAAHM O=C(c1ccc(C(F)(F)F)cc1)N1CCC(c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)CC1 ZINC000020463091 553656425 /nfs/dbraw/zinc/65/64/25/553656425.db2.gz SOZIZTGZXJQXPJ-UHFFFAOYSA-N -1 3 516.911 4.255 50 0 KIAAHM Cn1c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2nc1CCN1CCN(c2ccccc2)CC1 ZINC000020518574 553668776 /nfs/dbraw/zinc/66/87/76/553668776.db2.gz LTNFIBWFPKYJKK-UHFFFAOYSA-N -1 3 510.063 4.392 50 0 KIAAHM O=C(CCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)NC1CCN(Cc2ccccc2)CC1 ZINC000020644190 553684007 /nfs/dbraw/zinc/68/40/07/553684007.db2.gz ODYRAIPMDRYFLM-UHFFFAOYSA-N -1 3 515.477 4.009 50 0 KIAAHM O=C(CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)NC1CCN(Cc2ccccc2)CC1 ZINC000020644408 553684365 /nfs/dbraw/zinc/68/43/65/553684365.db2.gz HCGZDKLDAQOEHR-UHFFFAOYSA-N -1 3 508.644 4.129 50 0 KIAAHM O=C([C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21)N1CCC(c2ccc(F)cc2)CC1 ZINC000020760275 553695482 /nfs/dbraw/zinc/69/54/82/553695482.db2.gz ZJKHDSICTVCTFH-HSZRJFAPSA-N -1 3 524.643 4.126 50 0 KIAAHM O=C([C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21)N1CCC(c2ccc(F)cc2)CC1 ZINC000020760280 553695564 /nfs/dbraw/zinc/69/55/64/553695564.db2.gz ZJKHDSICTVCTFH-QHCPKHFHSA-N -1 3 524.643 4.126 50 0 KIAAHM O=C(c1ccc(Cl)cc1)N1CCC(c2nc3c(nnn3Cc3cccc(C(F)(F)F)c3)c(=O)[n-]2)CC1 ZINC000020869144 553700722 /nfs/dbraw/zinc/70/07/22/553700722.db2.gz NAIFNARNIZEJLC-UHFFFAOYSA-N -1 3 516.911 4.255 50 0 KIAAHM COc1ccccc1CN1CCc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c2C1 ZINC000021526180 553710519 /nfs/dbraw/zinc/71/05/19/553710519.db2.gz QHIINQLEPUEXCC-UHFFFAOYSA-N -1 3 504.534 4.499 50 0 KIAAHM Cc1cc(N2CCOCC2)nc(Nc2ccc([N-]S(=O)(=O)c3ccc4cccc5c4c3CC5)cc2)n1 ZINC000024023405 553788371 /nfs/dbraw/zinc/78/83/71/553788371.db2.gz KSEFVOINNTXAQI-UHFFFAOYSA-N -1 3 501.612 4.418 50 0 KIAAHM CCOC(=O)c1[n-]c(-c2ccc(-c3[nH]c(C(=O)OCC)c(C)c3C(=O)OCC)[nH]2)c(C(=O)OCC)c1C ZINC000025783361 553813874 /nfs/dbraw/zinc/81/38/74/553813874.db2.gz PCZFUSRCSGQVOI-UHFFFAOYSA-N -1 3 513.547 4.329 50 0 KIAAHM COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000026580328 553819541 /nfs/dbraw/zinc/81/95/41/553819541.db2.gz HZZZZODVDSHQRG-UHFFFAOYSA-N -1 3 612.627 4.391 50 0 in-vivo KIAAHM COc1cc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccccc2Br)cc(OC)c1OC ZINC000027527499 553830365 /nfs/dbraw/zinc/83/03/65/553830365.db2.gz KETBCKPOMCDMOT-UHFFFAOYSA-N -1 3 510.344 4.236 50 0 KIAAHM O=C([N-]n1c(=O)c2ccccc2nc1-c1ccc(F)cc1)c1cc2cc(Br)ccc2oc1=O ZINC000027528060 553831293 /nfs/dbraw/zinc/83/12/93/553831293.db2.gz MZOFMZHDNRBAEF-UHFFFAOYSA-N -1 3 506.287 4.455 50 0 KIAAHM O=C([N-]n1c(=O)c2ccccc2nc1-c1ccccc1F)c1cc2cc(Br)ccc2oc1=O ZINC000027528429 553831541 /nfs/dbraw/zinc/83/15/41/553831541.db2.gz CCHLCIFFLPMXDD-UHFFFAOYSA-N -1 3 506.287 4.455 50 0 KIAAHM Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(S(N)(=O)=O)cc3)c(=O)[n-]2)cc1 ZINC000029752457 553853392 /nfs/dbraw/zinc/85/33/92/553853392.db2.gz IRZMVAUGIIHVFJ-VWLOTQADSA-N -1 3 678.594 4.297 50 0 KIAAHM Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(S(N)(=O)=O)cc3)c(=O)[n-]2)cc1 ZINC000029752459 553853328 /nfs/dbraw/zinc/85/33/28/553853328.db2.gz IRZMVAUGIIHVFJ-RUZDIDTESA-N -1 3 678.594 4.297 50 0 KIAAHM Cn1c(NN=c2nc(Nc3cccc([N+](=O)[O-])c3)nc(Nc3cccc([N+](=O)[O-])c3)[n-]2)nc(-c2ccccc2)c(C#N)c1=O ZINC000030072416 553855115 /nfs/dbraw/zinc/85/51/15/553855115.db2.gz DEHMPNNFCXWKMY-UHFFFAOYSA-N -1 3 592.536 4.247 50 0 KIAAHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NCc3ccc(OC)c(OC(F)F)c3)c2)c1 ZINC000032914572 553876157 /nfs/dbraw/zinc/87/61/57/553876157.db2.gz LHUJDHSOZPZAMW-UHFFFAOYSA-N -1 3 502.470 4.202 50 0 KIAAHM CCN(CC)C(=O)c1ccc(CNC(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2[O-])cc1 ZINC000032914587 553876070 /nfs/dbraw/zinc/87/60/70/553876070.db2.gz ZYUVYWRLGCERTC-UHFFFAOYSA-N -1 3 505.571 4.074 50 0 KIAAHM COc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccc(OC)cc5)cc4)cn3)n2)cc1 ZINC000032974752 553883856 /nfs/dbraw/zinc/88/38/56/553883856.db2.gz RREKKRUZWHKZPD-UHFFFAOYSA-N -1 3 517.567 4.466 50 0 KIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CC[NH+]([C@@H](C)CC(C)C)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000032985153 553885587 /nfs/dbraw/zinc/88/55/87/553885587.db2.gz OWOQGNUCISAWCD-IBGZPJMESA-N -1 3 526.659 4.299 50 0 KIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CC[NH+]([C@H](C)CC(C)C)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000032985154 553885506 /nfs/dbraw/zinc/88/55/06/553885506.db2.gz OWOQGNUCISAWCD-LJQANCHMSA-N -1 3 526.659 4.299 50 0 KIAAHM CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(CC(C)C)cc4)ccc3n2)CC1 ZINC000032985233 553885948 /nfs/dbraw/zinc/88/59/48/553885948.db2.gz PTSKOBNQQXDTNM-UHFFFAOYSA-N -1 3 510.660 4.464 50 0 KIAAHM COc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2)N2CCCC2)cc1 ZINC000033023404 553888664 /nfs/dbraw/zinc/88/86/64/553888664.db2.gz MXPJTJIGUBGZGG-RUZDIDTESA-N -1 3 509.628 4.072 50 0 KIAAHM COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2)N2CCCC2)cc1 ZINC000033023407 553888936 /nfs/dbraw/zinc/88/89/36/553888936.db2.gz MXPJTJIGUBGZGG-VWLOTQADSA-N -1 3 509.628 4.072 50 0 KIAAHM O=C(c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1)N1CCN(c2ccc(O)cc2)CC1 ZINC000033023722 553888784 /nfs/dbraw/zinc/88/87/84/553888784.db2.gz IBKIGQIHGKRNON-UHFFFAOYSA-N -1 3 506.411 4.462 50 0 KIAAHM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccc(OC)cc3)N3CCCCC3)c2)cc1 ZINC000033025988 553890458 /nfs/dbraw/zinc/89/04/58/553890458.db2.gz WGGJRPYJHGGRQG-HHHXNRCGSA-N -1 3 523.655 4.462 50 0 KIAAHM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCCC3)c2)cc1 ZINC000033025991 553890437 /nfs/dbraw/zinc/89/04/37/553890437.db2.gz WGGJRPYJHGGRQG-MHZLTWQESA-N -1 3 523.655 4.462 50 0 KIAAHM CC(C)(CNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1)N1CCOCC1 ZINC000033026746 553890586 /nfs/dbraw/zinc/89/05/86/553890586.db2.gz DZYHMDNQEPQUTR-UHFFFAOYSA-N -1 3 519.973 4.000 50 0 KIAAHM COc1ccccc1CN1CCc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)[n-]c(=O)c2C1 ZINC000033028772 553891483 /nfs/dbraw/zinc/89/14/83/553891483.db2.gz XZPSTHFJMMNJDW-UHFFFAOYSA-N -1 3 504.534 4.499 50 0 KIAAHM COc1cccc(CN2CCc3nc(SCC(=O)Nc4cccc(C(F)(F)F)c4)[n-]c(=O)c3C2)c1 ZINC000033028777 553891395 /nfs/dbraw/zinc/89/13/95/553891395.db2.gz YCOFEZUTNLUBEK-UHFFFAOYSA-N -1 3 504.534 4.499 50 0 KIAAHM CN(C)[C@@H](CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1)c1ccccc1 ZINC000033028914 553891306 /nfs/dbraw/zinc/89/13/06/553891306.db2.gz QQWMKKZFQZKCNF-QFIPXVFZSA-N -1 3 502.434 4.283 50 0 KIAAHM CN(C)[C@H](CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1)c1ccccc1 ZINC000033028916 553891452 /nfs/dbraw/zinc/89/14/52/553891452.db2.gz QQWMKKZFQZKCNF-JOCHJYFZSA-N -1 3 502.434 4.283 50 0 KIAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N(CC(C)C)CC(C)C)ccc2N2CCNCC2)c1 ZINC000033033209 553892228 /nfs/dbraw/zinc/89/22/28/553892228.db2.gz NUMBUCSOFCSCTB-UHFFFAOYSA-N -1 3 500.709 4.268 50 0 KIAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(CC(C)C)CC(C)C)ccc2N2CCNCC2)c(C)c1 ZINC000033033328 553892016 /nfs/dbraw/zinc/89/20/16/553892016.db2.gz AQJDOCWBFPIBHC-UHFFFAOYSA-N -1 3 500.709 4.268 50 0 KIAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(CC(C)C)CC(C)C)ccc2N2CCNCC2)cc1C ZINC000033033355 553892762 /nfs/dbraw/zinc/89/27/62/553892762.db2.gz QTUTXICETPBTLV-UHFFFAOYSA-N -1 3 500.709 4.268 50 0 KIAAHM CCCCN(CC)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000033033437 553892557 /nfs/dbraw/zinc/89/25/57/553892557.db2.gz XDEFJWVMMGNYGK-UHFFFAOYSA-N -1 3 500.709 4.358 50 0 KIAAHM CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(CC(C)C)CC(C)C)ccc2N2CCNCC2)cc1 ZINC000033033463 553892599 /nfs/dbraw/zinc/89/25/99/553892599.db2.gz XZJKSQXPLDSSMZ-UHFFFAOYSA-N -1 3 500.709 4.214 50 0 KIAAHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(CC(C)C)CC(C)C)ccc2N2CCNCC2)cc1 ZINC000033033549 553892643 /nfs/dbraw/zinc/89/26/43/553892643.db2.gz SZFNBFDHQGVXOI-UHFFFAOYSA-N -1 3 516.708 4.050 50 0 KIAAHM CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)c([O-])c(OC)c3)C2=O)cc1 ZINC000033291773 553920384 /nfs/dbraw/zinc/92/03/84/553920384.db2.gz SYRYAMMGDCBFID-YVLHZVERSA-N -1 3 507.362 4.237 50 0 KIAAHM COc1ccccc1CN1CCc2nc(SCC(=O)Nc3ccc(Br)cc3)[n-]c(=O)c2C1 ZINC000033331776 553921101 /nfs/dbraw/zinc/92/11/01/553921101.db2.gz SYCPYRDAROOARE-UHFFFAOYSA-N -1 3 515.433 4.242 50 0 KIAAHM COc1ccccc1CN1CCc2nc(SCC(=O)Nc3cc(Cl)ccc3OC)[n-]c(=O)c2C1 ZINC000033331784 553921119 /nfs/dbraw/zinc/92/11/19/553921119.db2.gz FHDPDKUENWZCIJ-UHFFFAOYSA-N -1 3 501.008 4.142 50 0 KIAAHM COc1ccc(CN2CCc3nc(SCC(=O)Nc4ccc(OC)c(Cl)c4)[n-]c(=O)c3C2)cc1 ZINC000033331803 553921246 /nfs/dbraw/zinc/92/12/46/553921246.db2.gz IWZAIIPTTUCSDK-UHFFFAOYSA-N -1 3 501.008 4.142 50 0 KIAAHM COc1ccc(CN2CCc3nc(SCC(=O)Nc4cc(Cl)ccc4OC)[n-]c(=O)c3C2)cc1 ZINC000033331804 553920960 /nfs/dbraw/zinc/92/09/60/553920960.db2.gz HLLZLDUAPGVKOG-UHFFFAOYSA-N -1 3 501.008 4.142 50 0 KIAAHM COc1cccc(CN2CCc3nc(SCC(=O)Nc4ccc(OC)c(Cl)c4)[n-]c(=O)c3C2)c1 ZINC000033331811 553921182 /nfs/dbraw/zinc/92/11/82/553921182.db2.gz MXJGQOYUKCBZPV-UHFFFAOYSA-N -1 3 501.008 4.142 50 0 KIAAHM COc1cccc(CN2CCc3nc(SCC(=O)Nc4cc(Cl)ccc4OC)[n-]c(=O)c3C2)c1 ZINC000033331815 553921233 /nfs/dbraw/zinc/92/12/33/553921233.db2.gz TWCWNGGHXFIPFM-UHFFFAOYSA-N -1 3 501.008 4.142 50 0 KIAAHM O=C(Nc1ncc(Br)s1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000033356118 553939270 /nfs/dbraw/zinc/93/92/70/553939270.db2.gz YTTVQAHCDRGNBU-NSHDSACASA-N -1 3 551.307 4.258 50 0 KIAAHM O=C(Nc1ncc(Br)s1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000033356119 553939197 /nfs/dbraw/zinc/93/91/97/553939197.db2.gz YTTVQAHCDRGNBU-LLVKDONJSA-N -1 3 551.307 4.258 50 0 KIAAHM COc1ccc(-c2c(C(=O)[N-]c3c(F)cccc3F)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCC1 ZINC000033357163 553947064 /nfs/dbraw/zinc/94/70/64/553947064.db2.gz GFXJSSSOFZQENU-UHFFFAOYSA-N -1 3 541.580 4.337 50 0 KIAAHM CCOC(=O)[C@@H]1C(=C([O-])c2cc(OC)ccc2OC)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000033929227 553976834 /nfs/dbraw/zinc/97/68/34/553976834.db2.gz RMTYIWZPJBPETB-ANOKCIKSSA-N -1 3 524.573 4.240 50 0 KIAAHM CCOC(=O)c1ccc(-c2ccc([C@@H]3NC(=O)N[C@@](O)(C(F)(F)F)C3=C([O-])c3ccccc3)o2)cc1 ZINC000034780121 554003772 /nfs/dbraw/zinc/00/37/72/554003772.db2.gz BRCFBOQACZKSIO-NMMYMHLASA-N -1 3 502.445 4.227 50 0 KIAAHM CCCN(Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1N(C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000034921880 554031899 /nfs/dbraw/zinc/03/18/99/554031899.db2.gz HOZUBMILYYFGDA-UHFFFAOYSA-N -1 3 523.627 4.433 50 0 KIAAHM CCCN(Cc1cc([N-]S(=O)(=O)c2ccccc2)ccc1N(C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000034921881 554031990 /nfs/dbraw/zinc/03/19/90/554031990.db2.gz PGVAMHAWPDDQFN-UHFFFAOYSA-N -1 3 505.637 4.293 50 0 KIAAHM O=C1c2ccccc2Sc2cc(-c3noc(C[N-]S(=O)(=O)c4ccccc4)n3)ccc2N1C1CC1 ZINC000035453832 554055823 /nfs/dbraw/zinc/05/58/23/554055823.db2.gz ATYZVAHEXLXODO-UHFFFAOYSA-N -1 3 504.593 4.489 50 0 KIAAHM COc1cccc(CN2Cc3cc([N-]S(=O)(=O)c4ccc(Cl)cc4)ccc3O[C@H](C)C2=O)c1OC ZINC000035910069 554093986 /nfs/dbraw/zinc/09/39/86/554093986.db2.gz WBNOEPVWGVLSPZ-MRXNPFEDSA-N -1 3 517.003 4.468 50 0 KIAAHM COc1cccc(CN2Cc3cc([N-]S(=O)(=O)c4ccc(Cl)cc4)ccc3O[C@@H](C)C2=O)c1OC ZINC000035910070 554094278 /nfs/dbraw/zinc/09/42/78/554094278.db2.gz WBNOEPVWGVLSPZ-INIZCTEOSA-N -1 3 517.003 4.468 50 0 KIAAHM COc1cccc(CN2Cc3cc([N-]S(=O)(=O)c4ccc(Cl)cc4)ccc3OCC2=O)c1OC ZINC000035910079 554094290 /nfs/dbraw/zinc/09/42/90/554094290.db2.gz HOWHFPAKTQNUQC-UHFFFAOYSA-N -1 3 502.976 4.079 50 0 KIAAHM COc1ccc(CN2Cc3cc([N-]S(=O)(=O)c4ccc(Cl)cc4)ccc3O[C@H](C)C2=O)c(OC)c1 ZINC000035910084 554094238 /nfs/dbraw/zinc/09/42/38/554094238.db2.gz NGYJVGZOPZQUMS-MRXNPFEDSA-N -1 3 517.003 4.468 50 0 KIAAHM COc1ccc(CN2Cc3cc([N-]S(=O)(=O)c4ccc(Cl)cc4)ccc3O[C@@H](C)C2=O)c(OC)c1 ZINC000035910085 554094249 /nfs/dbraw/zinc/09/42/49/554094249.db2.gz NGYJVGZOPZQUMS-INIZCTEOSA-N -1 3 517.003 4.468 50 0 KIAAHM COc1ccc(CN2Cc3cc([N-]S(=O)(=O)c4ccc(Cl)cc4)ccc3OCC2=O)c(OC)c1 ZINC000035910094 554094214 /nfs/dbraw/zinc/09/42/14/554094214.db2.gz WOYMBKWSFQIFKE-UHFFFAOYSA-N -1 3 502.976 4.079 50 0 KIAAHM CCCC[C@@H](CC)C(=O)N1CCCN(c2nc(CN3CCN(c4ccccc4Cl)CC3)cc(=O)[n-]2)CC1 ZINC000035926418 554099524 /nfs/dbraw/zinc/09/95/24/554099524.db2.gz VWJNUWBSAJDNOU-JOCHJYFZSA-N -1 3 529.129 4.001 50 0 KIAAHM CCCC[C@H](CC)C(=O)N1CCCN(c2nc(CN3CCN(c4ccccc4Cl)CC3)cc(=O)[n-]2)CC1 ZINC000035926419 554099656 /nfs/dbraw/zinc/09/96/56/554099656.db2.gz VWJNUWBSAJDNOU-QFIPXVFZSA-N -1 3 529.129 4.001 50 0 KIAAHM COc1ccc(C(=O)N(Cc2cc([N-]S(=O)(=O)c3ccc(OC)cc3)ccc2N(C)C)C2CC2)cc1 ZINC000035944135 554101961 /nfs/dbraw/zinc/10/19/61/554101961.db2.gz HMHQUJJQMAKNGD-UHFFFAOYSA-N -1 3 509.628 4.375 50 0 KIAAHM COCCCN(Cc1nc(=O)c2c3c(sc2[n-]1)CN(Cc1ccccc1)CC3)C[C@H](O)c1ccccc1 ZINC000036155980 554198833 /nfs/dbraw/zinc/19/88/33/554198833.db2.gz HDZRPCBVGWIDMK-DEOSSOPVSA-N -1 3 518.683 4.115 50 0 KIAAHM COCCCN(Cc1nc(=O)c2c(-c3ccc(C)cc3)csc2[n-]1)C[C@H](O)COCc1ccccc1 ZINC000036205638 554201686 /nfs/dbraw/zinc/20/16/86/554201686.db2.gz UPIBZPDQEOYCAX-QHCPKHFHSA-N -1 3 507.656 4.376 50 0 KIAAHM COCCCN(Cc1nc(=O)c2c(-c3ccc(C)cc3)csc2[n-]1)C[C@@H](O)COCc1ccccc1 ZINC000036205641 554201730 /nfs/dbraw/zinc/20/17/30/554201730.db2.gz UPIBZPDQEOYCAX-HSZRJFAPSA-N -1 3 507.656 4.376 50 0 KIAAHM COc1ccc(-c2csc3[n-]c(CN(Cc4ccccc4)C[C@@H](O)COC(C)C)nc(=O)c23)cc1OC ZINC000036205924 554201486 /nfs/dbraw/zinc/20/14/86/554201486.db2.gz KYOPAANHAAJGSM-OAQYLSRUSA-N -1 3 523.655 4.457 50 0 KIAAHM COc1ccc(-c2csc3[n-]c(CN(Cc4ccccc4)C[C@H](O)COC(C)C)nc(=O)c23)cc1OC ZINC000036205927 554201545 /nfs/dbraw/zinc/20/15/45/554201545.db2.gz KYOPAANHAAJGSM-NRFANRHFSA-N -1 3 523.655 4.457 50 0 KIAAHM CCOC[C@H](O)CN(Cc1ccccc1)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[n-]1 ZINC000036205930 554201533 /nfs/dbraw/zinc/20/15/33/554201533.db2.gz IINAXOHSRJXPEU-HXUWFJFHSA-N -1 3 509.628 4.068 50 0 KIAAHM CCOC[C@@H](O)CN(Cc1ccccc1)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[n-]1 ZINC000036205934 554201714 /nfs/dbraw/zinc/20/17/14/554201714.db2.gz IINAXOHSRJXPEU-FQEVSTJZSA-N -1 3 509.628 4.068 50 0 KIAAHM CCOC[C@H](O)CN(Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[n-]1)C1CCCCC1 ZINC000036205994 554201652 /nfs/dbraw/zinc/20/16/52/554201652.db2.gz IWMSVNCGAIVYBJ-LJQANCHMSA-N -1 3 501.649 4.201 50 0 KIAAHM CCOC[C@@H](O)CN(Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[n-]1)C1CCCCC1 ZINC000036205997 554201641 /nfs/dbraw/zinc/20/16/41/554201641.db2.gz IWMSVNCGAIVYBJ-IBGZPJMESA-N -1 3 501.649 4.201 50 0 KIAAHM COc1ccc(-c2csc3[n-]c(CN(CCC(C)C)C[C@H](O)COC(C)C)nc(=O)c23)cc1OC ZINC000036206027 554201506 /nfs/dbraw/zinc/20/15/06/554201506.db2.gz UGQIJCIJBHGPQX-IBGZPJMESA-N -1 3 503.665 4.303 50 0 KIAAHM COc1ccc(-c2csc3[n-]c(CN(CCC(C)C)C[C@@H](O)COC(C)C)nc(=O)c23)cc1OC ZINC000036206030 554201608 /nfs/dbraw/zinc/20/16/08/554201608.db2.gz UGQIJCIJBHGPQX-LJQANCHMSA-N -1 3 503.665 4.303 50 0 KIAAHM Cc1ccc(-c2csc3[n-]c(CN(CCN4CCOCC4)C[C@H](O)c4ccccc4)nc(=O)c23)c(C)c1 ZINC000036206433 554201581 /nfs/dbraw/zinc/20/15/81/554201581.db2.gz CFISCCRNWWKWOE-VWLOTQADSA-N -1 3 518.683 4.136 50 0 KIAAHM Cc1ccc(-c2csc3[n-]c(CN(CCN4CCOCC4)C[C@@H](O)c4ccccc4)nc(=O)c23)c(C)c1 ZINC000036206434 554201753 /nfs/dbraw/zinc/20/17/53/554201753.db2.gz CFISCCRNWWKWOE-RUZDIDTESA-N -1 3 518.683 4.136 50 0 KIAAHM Cc1c(C(=O)OC(C)C)sc2[n-]c(CN(Cc3ccccc3)C[C@H](O)COC(C)(C)C)nc(=O)c12 ZINC000036206834 554202132 /nfs/dbraw/zinc/20/21/32/554202132.db2.gz ZVAKHARHIBQVSN-IBGZPJMESA-N -1 3 501.649 4.036 50 0 KIAAHM Cc1c(C(=O)OC(C)C)sc2[n-]c(CN(Cc3ccccc3)C[C@@H](O)COC(C)(C)C)nc(=O)c12 ZINC000036206835 554202231 /nfs/dbraw/zinc/20/22/31/554202231.db2.gz ZVAKHARHIBQVSN-LJQANCHMSA-N -1 3 501.649 4.036 50 0 KIAAHM COc1ccc(-c2csc3[n-]c(CN(C[C@H](O)COc4ccccc4)C(C)C)nc(=O)c23)cc1OC ZINC000036207705 554202515 /nfs/dbraw/zinc/20/25/15/554202515.db2.gz WBNCAWJHSSTSKP-IBGZPJMESA-N -1 3 509.628 4.319 50 0 KIAAHM COc1ccc(-c2csc3[n-]c(CN(C[C@@H](O)COc4ccccc4)C(C)C)nc(=O)c23)cc1OC ZINC000036207706 554202694 /nfs/dbraw/zinc/20/26/94/554202694.db2.gz WBNCAWJHSSTSKP-LJQANCHMSA-N -1 3 509.628 4.319 50 0 KIAAHM O=C([N-]c1c(F)cc(F)cc1Br)c1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1F ZINC000038139878 554261641 /nfs/dbraw/zinc/26/16/41/554261641.db2.gz WUCJYCBCPVIIKB-UHFFFAOYSA-N -1 3 555.376 4.025 50 0 KIAAHM COc1ccccc1[C@H](CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1)N(C)C ZINC000038140437 554263680 /nfs/dbraw/zinc/26/36/80/554263680.db2.gz ZXJHSDKVFBMARK-QFIPXVFZSA-N -1 3 532.460 4.291 50 0 KIAAHM COc1ccccc1[C@@H](CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1)N(C)C ZINC000038140438 554263638 /nfs/dbraw/zinc/26/36/38/554263638.db2.gz ZXJHSDKVFBMARK-JOCHJYFZSA-N -1 3 532.460 4.291 50 0 KIAAHM O=C(CC[N-]S(=O)(=O)c1ccccc1C(F)(F)F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000038152343 554272507 /nfs/dbraw/zinc/27/25/07/554272507.db2.gz ZRDLJZHUSBWUSB-UHFFFAOYSA-N -1 3 531.600 4.308 50 0 KIAAHM COc1ccc([C@H](CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)N(C)C)cc1 ZINC000038152359 554272569 /nfs/dbraw/zinc/27/25/69/554272569.db2.gz MCOOYONNVNRHBQ-QHCPKHFHSA-N -1 3 532.460 4.291 50 0 KIAAHM COc1ccc([C@@H](CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)N(C)C)cc1 ZINC000038152360 554272546 /nfs/dbraw/zinc/27/25/46/554272546.db2.gz MCOOYONNVNRHBQ-HSZRJFAPSA-N -1 3 532.460 4.291 50 0 KIAAHM Cc1ccc(N2CCN(CCc3nc4cc([N-]S(=O)(=O)c5ccc(F)cc5)ccc4n3C)CC2)cc1 ZINC000038696607 554275462 /nfs/dbraw/zinc/27/54/62/554275462.db2.gz CAIKCPDUBXJVLV-UHFFFAOYSA-N -1 3 507.635 4.186 50 0 KIAAHM CCOc1ccc(CC[N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)CC)cc1OCC ZINC000040454567 554286351 /nfs/dbraw/zinc/28/63/51/554286351.db2.gz APGIIXJZNPWKJP-UHFFFAOYSA-N -1 3 525.465 4.067 50 0 KIAAHM COc1cc(Br)c(S(=O)(=O)[N-]c2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC ZINC000042881303 554297174 /nfs/dbraw/zinc/29/71/74/554297174.db2.gz KQCZCINJGIRLCD-CYBMUJFWSA-N -1 3 505.818 4.003 50 0 in-vitro KIAAHM COc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccccc2OC)CC1 ZINC000045796242 554311199 /nfs/dbraw/zinc/31/11/99/554311199.db2.gz CYZJZSDZHRRLFY-VAVYLYDRSA-N -1 3 526.637 4.196 50 0 KIAAHM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccccc2OC)CC1 ZINC000045796243 554311221 /nfs/dbraw/zinc/31/12/21/554311221.db2.gz CYZJZSDZHRRLFY-IRPSRAIASA-N -1 3 526.637 4.196 50 0 KIAAHM COc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccccc2OC)CC1 ZINC000045796244 554311595 /nfs/dbraw/zinc/31/15/95/554311595.db2.gz CYZJZSDZHRRLFY-ABYGYWHVSA-N -1 3 526.637 4.196 50 0 KIAAHM COc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccccc2OC)CC1 ZINC000045796245 554311577 /nfs/dbraw/zinc/31/15/77/554311577.db2.gz CYZJZSDZHRRLFY-SVEHJYQDSA-N -1 3 526.637 4.196 50 0 KIAAHM N[C@H](Cc1ccccc1)C(=O)Oc1ccc(-c2coc3cc(OC(=O)[C@H](N)Cc4ccccc4)cc(=O)c-3c2[O-])cc1 ZINC000053319129 554335860 /nfs/dbraw/zinc/33/58/60/554335860.db2.gz RXLFEWISUXVFFT-KAYWLYCHSA-N -1 3 564.594 4.116 50 0 KIAAHM N[C@H](Cc1ccccc1)C(=O)Oc1ccc(-c2coc3cc(OC(=O)[C@H](N)Cc4ccccc4)cc([O-])c3c2=O)cc1 ZINC000053319129 554335856 /nfs/dbraw/zinc/33/58/56/554335856.db2.gz RXLFEWISUXVFFT-KAYWLYCHSA-N -1 3 564.594 4.116 50 0 KIAAHM COc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccccc2F)CC1 ZINC000057316924 554355622 /nfs/dbraw/zinc/35/56/22/554355622.db2.gz FUHCEERDBRGPQZ-LEAFIULHSA-N -1 3 514.601 4.326 50 0 biogenic,in-vitro KIAAHM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccccc2F)CC1 ZINC000057316926 554355995 /nfs/dbraw/zinc/35/59/95/554355995.db2.gz FUHCEERDBRGPQZ-NAKRPHOHSA-N -1 3 514.601 4.326 50 0 biogenic KIAAHM COc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccccc2F)CC1 ZINC000057316927 554355955 /nfs/dbraw/zinc/35/59/55/554355955.db2.gz FUHCEERDBRGPQZ-LBNVMWSVSA-N -1 3 514.601 4.326 50 0 biogenic,in-vitro KIAAHM COc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccccc2F)CC1 ZINC000057316928 554355922 /nfs/dbraw/zinc/35/59/22/554355922.db2.gz FUHCEERDBRGPQZ-LSYYVWMOSA-N -1 3 514.601 4.326 50 0 biogenic,in-vitro KIAAHM CCOc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000059524693 554405643 /nfs/dbraw/zinc/40/56/43/554405643.db2.gz XDFYCAWFDCPUOA-HJOGWXRNSA-N -1 3 534.410 4.416 50 0 KIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3Br)cc2)cc1 ZINC000059595649 554408319 /nfs/dbraw/zinc/40/83/19/554408319.db2.gz ZRDZPOZHRZMXRW-UHFFFAOYSA-N -1 3 520.430 4.385 50 0 KIAAHM CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc(I)c1[O-] ZINC000059608020 554410414 /nfs/dbraw/zinc/41/04/14/554410414.db2.gz FTFOWDNJUSRDQP-QGZVFWFLSA-N -1 3 543.814 4.480 50 0 KIAAHM CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc(I)c1[O-] ZINC000059608023 554410454 /nfs/dbraw/zinc/41/04/54/554410454.db2.gz FTFOWDNJUSRDQP-KRWDZBQOSA-N -1 3 543.814 4.480 50 0 KIAAHM CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)S(C)(=O)=O)c1 ZINC000059612418 554412735 /nfs/dbraw/zinc/41/27/35/554412735.db2.gz LRHKJQZFBMIUCG-UHFFFAOYSA-N -1 3 570.476 4.402 50 0 KIAAHM Cc1cc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)S(C)(=O)=O)ccc1Br ZINC000059616989 554413310 /nfs/dbraw/zinc/41/33/10/554413310.db2.gz BIXFCQRAWBSDCP-UHFFFAOYSA-N -1 3 570.462 4.102 50 0 KIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3OC)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000059651998 554419302 /nfs/dbraw/zinc/41/93/02/554419302.db2.gz DERUEZKWNKBKOK-UHFFFAOYSA-N -1 3 581.672 4.339 50 0 KIAAHM COc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccc(F)cc2)CC1 ZINC000059807608 554430687 /nfs/dbraw/zinc/43/06/87/554430687.db2.gz NMHUDCOGYBAHCI-IXCJQBJRSA-N -1 3 514.601 4.326 50 0 biogenic KIAAHM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccc(F)cc2)CC1 ZINC000059807609 554430758 /nfs/dbraw/zinc/43/07/58/554430758.db2.gz NMHUDCOGYBAHCI-IAPPQJPRSA-N -1 3 514.601 4.326 50 0 biogenic KIAAHM COc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccc(F)cc2)CC1 ZINC000059807611 554430657 /nfs/dbraw/zinc/43/06/57/554430657.db2.gz NMHUDCOGYBAHCI-XTEPFMGCSA-N -1 3 514.601 4.326 50 0 biogenic KIAAHM COc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccc(F)cc2)CC1 ZINC000059807613 554430734 /nfs/dbraw/zinc/43/07/34/554430734.db2.gz NMHUDCOGYBAHCI-XCZPVHLTSA-N -1 3 514.601 4.326 50 0 biogenic KIAAHM COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc(Br)c1[O-] ZINC000059873797 554456648 /nfs/dbraw/zinc/45/66/48/554456648.db2.gz KNBXVUYWALQONW-OAQYLSRUSA-N -1 3 563.832 4.191 50 0 KIAAHM COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc(Br)c1[O-] ZINC000059873799 554456689 /nfs/dbraw/zinc/45/66/89/554456689.db2.gz KNBXVUYWALQONW-NRFANRHFSA-N -1 3 563.832 4.191 50 0 KIAAHM COc1ccc2[nH]c3c(c2c1)C[C@@H](C(=O)[O-])N[C@H]3c1ccc(OC)c(CN2CCN(c3ccccc3F)CC2)c1 ZINC000070670069 553600122 /nfs/dbraw/zinc/60/01/22/553600122.db2.gz GFTRKORPQBYKDZ-WNJJXGMVSA-N -1 3 544.627 4.335 50 0 biogenic KIAAHM COc1ccc2[nH]c3c(c2c1)C[C@@H](C(=O)[O-])N[C@@H]3c1ccc(OC)c(CN2CCN(c3ccccc3F)CC2)c1 ZINC000070670070 553600128 /nfs/dbraw/zinc/60/01/28/553600128.db2.gz GFTRKORPQBYKDZ-LITSAYRRSA-N -1 3 544.627 4.335 50 0 biogenic KIAAHM COc1ccc2[nH]c3c(c2c1)C[C@H](C(=O)[O-])N[C@H]3c1ccc(OC)c(CN2CCN(c3ccccc3F)CC2)c1 ZINC000070670071 553600103 /nfs/dbraw/zinc/60/01/03/553600103.db2.gz GFTRKORPQBYKDZ-UHSQPCAPSA-N -1 3 544.627 4.335 50 0 biogenic KIAAHM COc1ccc2[nH]c3c(c2c1)C[C@H](C(=O)[O-])N[C@@H]3c1ccc(OC)c(CN2CCN(c3ccccc3F)CC2)c1 ZINC000070670072 553600093 /nfs/dbraw/zinc/60/00/93/553600093.db2.gz GFTRKORPQBYKDZ-GGXMVOPNSA-N -1 3 544.627 4.335 50 0 biogenic KIAAHM COc1ccc(C[C@@]2(CN3CCc4cc(OC)c(OC)cc4[C@@H]3C)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000070672054 553601481 /nfs/dbraw/zinc/60/14/81/553601481.db2.gz RPOCLRMLCJYPNM-PKHCJMHPSA-N -1 3 543.620 4.348 50 0 biogenic KIAAHM COc1ccc(C[C@]2(CN3CCc4cc(OC)c(OC)cc4[C@@H]3C)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000070672057 553601338 /nfs/dbraw/zinc/60/13/38/553601338.db2.gz RPOCLRMLCJYPNM-GEFUHLBYSA-N -1 3 543.620 4.348 50 0 biogenic KIAAHM O=C(CNC(=O)c1ccccc1Br)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000072120487 553640616 /nfs/dbraw/zinc/64/06/16/553640616.db2.gz OXZOWILNNAAMHD-UHFFFAOYSA-N -1 3 522.808 4.272 50 0 KIAAHM COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)N(C)C)cc1 ZINC000072135043 553644344 /nfs/dbraw/zinc/64/43/44/553644344.db2.gz NGMNWORWRJEHNQ-QHCPKHFHSA-N -1 3 532.460 4.291 50 0 KIAAHM COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)N(C)C)cc1 ZINC000072135044 553644386 /nfs/dbraw/zinc/64/43/86/553644386.db2.gz NGMNWORWRJEHNQ-HSZRJFAPSA-N -1 3 532.460 4.291 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(OC)cc2)[C@H](c2ccc(F)cc2)C1 ZINC000072314459 553646836 /nfs/dbraw/zinc/64/68/36/553646836.db2.gz PTCFSROSBQBNCW-DEOSSOPVSA-N -1 3 517.604 4.136 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(OC)cc2)[C@@H](c2ccc(F)cc2)C1 ZINC000072314460 553646944 /nfs/dbraw/zinc/64/69/44/553646944.db2.gz PTCFSROSBQBNCW-XMMPIXPASA-N -1 3 517.604 4.136 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2F)C1 ZINC000072314467 553646848 /nfs/dbraw/zinc/64/68/48/553646848.db2.gz PZFIYWUJBJSTHH-DEOSSOPVSA-N -1 3 501.605 4.436 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccccc2F)C1 ZINC000072314468 553646791 /nfs/dbraw/zinc/64/67/91/553646791.db2.gz PZFIYWUJBJSTHH-XMMPIXPASA-N -1 3 501.605 4.436 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(F)cc2)[C@H](c2ccc(OC)cc2)C1 ZINC000072314471 553646820 /nfs/dbraw/zinc/64/68/20/553646820.db2.gz FGCXNPQDPNGXEX-DEOSSOPVSA-N -1 3 517.604 4.136 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(F)cc2)[C@@H](c2ccc(OC)cc2)C1 ZINC000072314472 553646959 /nfs/dbraw/zinc/64/69/59/553646959.db2.gz FGCXNPQDPNGXEX-XMMPIXPASA-N -1 3 517.604 4.136 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(OC)cc2)[C@H](c2ccccc2C)C1 ZINC000072314481 553646924 /nfs/dbraw/zinc/64/69/24/553646924.db2.gz XRPCWIJJPCIIKJ-VWLOTQADSA-N -1 3 513.641 4.305 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(OC)cc2)[C@@H](c2ccccc2C)C1 ZINC000072314482 553646935 /nfs/dbraw/zinc/64/69/35/553646935.db2.gz XRPCWIJJPCIIKJ-RUZDIDTESA-N -1 3 513.641 4.305 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(C)cc2)[C@H](c2cccc(F)c2)C1 ZINC000072314483 553647175 /nfs/dbraw/zinc/64/71/75/553647175.db2.gz PXMJTUXKUCZNTL-DEOSSOPVSA-N -1 3 501.605 4.436 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2cccc(F)c2)C1 ZINC000072314484 553647079 /nfs/dbraw/zinc/64/70/79/553647079.db2.gz PXMJTUXKUCZNTL-XMMPIXPASA-N -1 3 501.605 4.436 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(OC)cc2)[C@H](c2ccc(C)cc2)C1 ZINC000072314485 553647276 /nfs/dbraw/zinc/64/72/76/553647276.db2.gz GSYVFTKRFAAZPX-VWLOTQADSA-N -1 3 513.641 4.305 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(OC)cc2)[C@@H](c2ccc(C)cc2)C1 ZINC000072314486 553647091 /nfs/dbraw/zinc/64/70/91/553647091.db2.gz GSYVFTKRFAAZPX-RUZDIDTESA-N -1 3 513.641 4.305 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccc(OC)cc2)C1 ZINC000072314487 553647203 /nfs/dbraw/zinc/64/72/03/553647203.db2.gz VUYQDNWOGFTLAE-VWLOTQADSA-N -1 3 513.641 4.305 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccc(OC)cc2)C1 ZINC000072314488 553647245 /nfs/dbraw/zinc/64/72/45/553647245.db2.gz VUYQDNWOGFTLAE-RUZDIDTESA-N -1 3 513.641 4.305 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(OC)cc2)[C@H](c2cccc(F)c2)C1 ZINC000072314495 553647151 /nfs/dbraw/zinc/64/71/51/553647151.db2.gz PWQCUJYFPUTMFM-DEOSSOPVSA-N -1 3 517.604 4.136 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(OC)cc2)[C@@H](c2cccc(F)c2)C1 ZINC000072314496 553647239 /nfs/dbraw/zinc/64/72/39/553647239.db2.gz PWQCUJYFPUTMFM-XMMPIXPASA-N -1 3 517.604 4.136 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(F)cc2)[C@H](c2ccccc2F)C1 ZINC000072314497 553647072 /nfs/dbraw/zinc/64/70/72/553647072.db2.gz QGFFOUROYHAEJV-QHCPKHFHSA-N -1 3 505.568 4.266 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(F)cc2)[C@@H](c2ccccc2F)C1 ZINC000072314498 553647130 /nfs/dbraw/zinc/64/71/30/553647130.db2.gz QGFFOUROYHAEJV-HSZRJFAPSA-N -1 3 505.568 4.266 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(OC)cc2)[C@H](c2ccccc2F)C1 ZINC000072314499 553647271 /nfs/dbraw/zinc/64/72/71/553647271.db2.gz UAYMYGOWEBHGHS-DEOSSOPVSA-N -1 3 517.604 4.136 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(OC)cc2)[C@@H](c2ccccc2F)C1 ZINC000072314500 553647218 /nfs/dbraw/zinc/64/72/18/553647218.db2.gz UAYMYGOWEBHGHS-XMMPIXPASA-N -1 3 517.604 4.136 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(F)cc2)[C@H](c2ccc(C)cc2)C1 ZINC000072314501 553647225 /nfs/dbraw/zinc/64/72/25/553647225.db2.gz XKMPSORWKAGFOY-DEOSSOPVSA-N -1 3 501.605 4.436 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(F)cc2)[C@@H](c2ccc(C)cc2)C1 ZINC000072314502 553647253 /nfs/dbraw/zinc/64/72/53/553647253.db2.gz XKMPSORWKAGFOY-XMMPIXPASA-N -1 3 501.605 4.436 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(F)cc2)[C@H](c2ccccc2C)C1 ZINC000072314503 553647266 /nfs/dbraw/zinc/64/72/66/553647266.db2.gz XKXCSAJNAAKHIC-DEOSSOPVSA-N -1 3 501.605 4.436 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(F)cc2)[C@@H](c2ccccc2C)C1 ZINC000072314504 553647058 /nfs/dbraw/zinc/64/70/58/553647058.db2.gz XKXCSAJNAAKHIC-XMMPIXPASA-N -1 3 501.605 4.436 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(OC)cc2)[C@H](c2cccs2)C1 ZINC000072314511 553647211 /nfs/dbraw/zinc/64/72/11/553647211.db2.gz UGYXMDQQGURLKZ-NRFANRHFSA-N -1 3 505.643 4.058 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(OC)cc2)[C@@H](c2cccs2)C1 ZINC000072314512 553647065 /nfs/dbraw/zinc/64/70/65/553647065.db2.gz UGYXMDQQGURLKZ-OAQYLSRUSA-N -1 3 505.643 4.058 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(F)cc2)[C@H](c2ccc(F)cc2)C1 ZINC000072314515 553647106 /nfs/dbraw/zinc/64/71/06/553647106.db2.gz YNRPSHMVNXPGBU-QHCPKHFHSA-N -1 3 505.568 4.266 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(F)cc2)[C@@H](c2ccc(F)cc2)C1 ZINC000072314516 553647231 /nfs/dbraw/zinc/64/72/31/553647231.db2.gz YNRPSHMVNXPGBU-HSZRJFAPSA-N -1 3 505.568 4.266 50 0 KIAAHM COc1cc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)ccc1OCC(N)=O ZINC000079188659 553666662 /nfs/dbraw/zinc/66/66/62/553666662.db2.gz KKTFXBSWLJDKQR-TUAVOELASA-N -1 3 551.592 4.188 50 0 KIAAHM COc1cc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)ccc1OCC(N)=O ZINC000079188665 553666948 /nfs/dbraw/zinc/66/69/48/553666948.db2.gz KKTFXBSWLJDKQR-LIEUZMQSSA-N -1 3 551.592 4.188 50 0 KIAAHM C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@H](c1ccc(OCC(N)=O)cc1)CC(=O)O3 ZINC000079193792 553669011 /nfs/dbraw/zinc/66/90/11/553669011.db2.gz KBQNUFNFMJFKDJ-OQMXNEBRSA-N -1 3 521.566 4.179 50 0 KIAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@H](c1ccc(OCC(N)=O)cc1)CC(=O)O3 ZINC000079193794 553669025 /nfs/dbraw/zinc/66/90/25/553669025.db2.gz KBQNUFNFMJFKDJ-LCRIEDMNSA-N -1 3 521.566 4.179 50 0 KIAAHM C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@@H](c1ccc(OCC(N)=O)cc1)CC(=O)O3 ZINC000079193798 553669032 /nfs/dbraw/zinc/66/90/32/553669032.db2.gz KBQNUFNFMJFKDJ-JBLCGVFVSA-N -1 3 521.566 4.179 50 0 KIAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@@H](c1ccc(OCC(N)=O)cc1)CC(=O)O3 ZINC000079193802 553669062 /nfs/dbraw/zinc/66/90/62/553669062.db2.gz KBQNUFNFMJFKDJ-BECRDJSHSA-N -1 3 521.566 4.179 50 0 KIAAHM COc1ccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1OCC(N)=O ZINC000079193999 553669007 /nfs/dbraw/zinc/66/90/07/553669007.db2.gz MLJTVFIIOZCLDF-TUAVOELASA-N -1 3 551.592 4.188 50 0 KIAAHM COc1ccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1OCC(N)=O ZINC000079194008 553668999 /nfs/dbraw/zinc/66/89/99/553668999.db2.gz MLJTVFIIOZCLDF-LIEUZMQSSA-N -1 3 551.592 4.188 50 0 KIAAHM c1ccc2c(c1)C1=N[C@H]3N=C(NC4=N[C@@H](N=c5[n-]c(c6ccccc65)=NC2=N1)c1ccccc14)c1ccccc13 ZINC000095908701 553714683 /nfs/dbraw/zinc/71/46/83/553714683.db2.gz WXMPKSWAJYUDKZ-XVTQMYCESA-N -1 3 516.568 4.135 50 0 KIAAHM c1ccc2c(c1)C1=N[C@@H]3N=C(NC4=N[C@@H](N=c5[n-]c(c6ccccc65)=NC2=N1)c1ccccc14)c1ccccc13 ZINC000095908702 553714626 /nfs/dbraw/zinc/71/46/26/553714626.db2.gz WXMPKSWAJYUDKZ-QCDSWUKFSA-N -1 3 516.568 4.135 50 0 KIAAHM Cc1ccc([N-]S(=O)(=O)c2cc(NC(=S)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2C)c(C)c1 ZINC000096021889 553718105 /nfs/dbraw/zinc/71/81/05/553718105.db2.gz CPQXUKNGJKELHE-UHFFFAOYSA-N -1 3 574.750 4.242 50 0 KIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)N=P(c3ccncc3)(N(C)C)N(C)C)cc2)cc1 ZINC000096023222 553723138 /nfs/dbraw/zinc/72/31/38/553723138.db2.gz CURQWDSDHTUHFL-UHFFFAOYSA-N -1 3 532.632 4.068 50 0 KIAAHM O=C([O-])c1cc(I)ccc1NC(=O)[C@H](Cc1ccccc1)NCc1ccccc1 ZINC000096170464 553727173 /nfs/dbraw/zinc/72/71/73/553727173.db2.gz IRDIXDXDSUBHIU-NRFANRHFSA-N -1 3 500.336 4.329 50 0 KIAAHM COC(=O)COc1cc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)ccc1OC ZINC000096222077 553730869 /nfs/dbraw/zinc/73/08/69/553730869.db2.gz YAEBELLFAJPOFN-IBGZPJMESA-N -1 3 502.475 4.167 50 0 biogenic KIAAHM COC(=O)COc1cc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)ccc1OC ZINC000096222079 553730904 /nfs/dbraw/zinc/73/09/04/553730904.db2.gz YAEBELLFAJPOFN-LJQANCHMSA-N -1 3 502.475 4.167 50 0 biogenic KIAAHM COC(=O)COc1c(OC)cccc1[C@@H]1CC(=O)Oc2ccc3c(=O)c(-c4ccc([O-])cc4)coc3c21 ZINC000096222824 553731247 /nfs/dbraw/zinc/73/12/47/553731247.db2.gz RVUZTSOLTMYTKT-IBGZPJMESA-N -1 3 502.475 4.167 50 0 biogenic KIAAHM COC(=O)COc1c(OC)cccc1[C@H]1CC(=O)Oc2ccc3c(=O)c(-c4ccc([O-])cc4)coc3c21 ZINC000096222825 553731266 /nfs/dbraw/zinc/73/12/66/553731266.db2.gz RVUZTSOLTMYTKT-LJQANCHMSA-N -1 3 502.475 4.167 50 0 biogenic KIAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CCNc1nc(-c2cccs2)nc2cc(Cl)ccc21 ZINC000096292814 553746781 /nfs/dbraw/zinc/74/67/81/553746781.db2.gz HOXDRVNCLPKILF-UHFFFAOYSA-N -1 3 509.034 4.250 50 0 KIAAHM COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1oc(CSc2ccc(F)cc2)cc(=O)c1[O-] ZINC000096335865 553752379 /nfs/dbraw/zinc/75/23/79/553752379.db2.gz CXJCXWRLBCUCML-GOSISDBHSA-N -1 3 504.532 4.498 50 0 KIAAHM COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1oc(CSc2ccc(F)cc2)cc(=O)c1[O-] ZINC000096335866 553752314 /nfs/dbraw/zinc/75/23/14/553752314.db2.gz CXJCXWRLBCUCML-SFHVURJKSA-N -1 3 504.532 4.498 50 0 KIAAHM COC(=O)C[C@H](c1cc2c(c(OC)c1)OCO2)c1oc(CSc2ccc(F)cc2F)cc(=O)c1[O-] ZINC000096335881 553752359 /nfs/dbraw/zinc/75/23/59/553752359.db2.gz OLFJYYCQCMQCFQ-OAHLLOKOSA-N -1 3 506.479 4.348 50 0 KIAAHM COC(=O)C[C@@H](c1cc2c(c(OC)c1)OCO2)c1oc(CSc2ccc(F)cc2F)cc(=O)c1[O-] ZINC000096335882 553752336 /nfs/dbraw/zinc/75/23/36/553752336.db2.gz OLFJYYCQCMQCFQ-HNNXBMFYSA-N -1 3 506.479 4.348 50 0 KIAAHM COC(=O)C[C@@H](c1cc2c(c(OC)c1)OCO2)c1oc(CSc2ccc(OC)cc2)cc(=O)c1[O-] ZINC000096335889 553752342 /nfs/dbraw/zinc/75/23/42/553752342.db2.gz FCPMZAPBVBMHPR-SFHVURJKSA-N -1 3 500.525 4.079 50 0 KIAAHM COC(=O)C[C@H](c1cc2c(c(OC)c1)OCO2)c1oc(CSc2ccc(OC)cc2)cc(=O)c1[O-] ZINC000096335890 553752309 /nfs/dbraw/zinc/75/23/09/553752309.db2.gz FCPMZAPBVBMHPR-GOSISDBHSA-N -1 3 500.525 4.079 50 0 KIAAHM COC(=O)C[C@@H](c1cc2c(c(OC)c1)OCO2)c1oc(CSc2cccc(OC)c2)cc(=O)c1[O-] ZINC000096335891 553752365 /nfs/dbraw/zinc/75/23/65/553752365.db2.gz RKQHHQCKXNTOCX-SFHVURJKSA-N -1 3 500.525 4.079 50 0 KIAAHM COC(=O)C[C@H](c1cc2c(c(OC)c1)OCO2)c1oc(CSc2cccc(OC)c2)cc(=O)c1[O-] ZINC000096335892 553752323 /nfs/dbraw/zinc/75/23/23/553752323.db2.gz RKQHHQCKXNTOCX-GOSISDBHSA-N -1 3 500.525 4.079 50 0 KIAAHM COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)c([O-])c(OC)c4)c(=O)n32)c1 ZINC000097944912 553770302 /nfs/dbraw/zinc/77/03/02/553770302.db2.gz HSCIBFZAMKHNSG-CBYYHRJHSA-N -1 3 562.047 4.250 50 0 KIAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1cc(C)nn1C ZINC000097954988 553827141 /nfs/dbraw/zinc/82/71/41/553827141.db2.gz GDRJJHSRUREXAI-VJGNERBWSA-N -1 3 538.560 4.007 50 0 KIAAHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000097958914 553858747 /nfs/dbraw/zinc/85/87/47/553858747.db2.gz NLXIRVBYIGNLAT-YMSBRDKKSA-N -1 3 601.519 4.452 50 0 KIAAHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000097958915 553858704 /nfs/dbraw/zinc/85/87/04/553858704.db2.gz NLXIRVBYIGNLAT-IGSWSUAKSA-N -1 3 601.519 4.452 50 0 KIAAHM COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Cl)ccc4[O-])c(=O)n32)cc1 ZINC000097959620 553864834 /nfs/dbraw/zinc/86/48/34/553864834.db2.gz GFHQZVUQEWSNQO-XXMKCSCWSA-N -1 3 532.021 4.242 50 0 KIAAHM COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Cl)ccc4[O-])c(=O)n32)cc1 ZINC000097959621 553864875 /nfs/dbraw/zinc/86/48/75/553864875.db2.gz GFHQZVUQEWSNQO-XSZPGNIMSA-N -1 3 532.021 4.242 50 0 KIAAHM CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C\c3cc(Br)ccc3[O-])c(=O)n21 ZINC000097959759 553866067 /nfs/dbraw/zinc/86/60/67/553866067.db2.gz AXBHPJHCWHZPHZ-LJJBLSSYSA-N -1 3 557.466 4.055 50 0 KIAAHM CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C\c3cc(Br)ccc3[O-])c(=O)n21 ZINC000097959760 553866106 /nfs/dbraw/zinc/86/61/06/553866106.db2.gz AXBHPJHCWHZPHZ-CVGPFBNFSA-N -1 3 557.466 4.055 50 0 KIAAHM COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc([O-])c(I)c4)c(=O)n32)c1 ZINC000097962562 553884396 /nfs/dbraw/zinc/88/43/96/553884396.db2.gz FFYHWRWHOKXTGF-ZDGAQAAHSA-N -1 3 623.472 4.193 50 0 KIAAHM COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc([O-])c(I)c4)c(=O)n32)c1 ZINC000097962563 553884386 /nfs/dbraw/zinc/88/43/86/553884386.db2.gz FFYHWRWHOKXTGF-AQIZGWBQSA-N -1 3 623.472 4.193 50 0 KIAAHM COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)ccc4[O-])c(=O)n32)c1 ZINC000097962675 553884941 /nfs/dbraw/zinc/88/49/41/553884941.db2.gz QFYRAJFPMBSZAZ-GJFKPFFXSA-N -1 3 576.472 4.351 50 0 KIAAHM COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)ccc4[O-])c(=O)n32)c1 ZINC000097962676 553884919 /nfs/dbraw/zinc/88/49/19/553884919.db2.gz QFYRAJFPMBSZAZ-LWUPDDLQSA-N -1 3 576.472 4.351 50 0 KIAAHM CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(=O)/c(=C/c3cc(Br)ccc3[O-])sc2=N1 ZINC000097963017 553886381 /nfs/dbraw/zinc/88/63/81/553886381.db2.gz DXIILHBXORPWLS-WLJFKGHSSA-N -1 3 552.475 4.404 50 0 KIAAHM CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(=O)/c(=C/c3cc(Br)ccc3[O-])sc2=N1 ZINC000097963018 553886386 /nfs/dbraw/zinc/88/63/86/553886386.db2.gz DXIILHBXORPWLS-VLOXRPPESA-N -1 3 552.475 4.404 50 0 KIAAHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000097965465 553904841 /nfs/dbraw/zinc/90/48/41/553904841.db2.gz WWOWGEUJIMVJTI-MGSPXPDISA-N -1 3 535.021 4.319 50 0 KIAAHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c([O-])c(OC)c3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000097965466 553904804 /nfs/dbraw/zinc/90/48/04/553904804.db2.gz WWOWGEUJIMVJTI-XPCGLTFESA-N -1 3 535.021 4.319 50 0 KIAAHM CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COC(=O)c2ccc([N-]S(=O)(=O)/C=C/c3ccccc3)cc2)c1 ZINC000097980089 553985088 /nfs/dbraw/zinc/98/50/88/553985088.db2.gz FPUIZWMRAWEZEL-ISLYRVAYSA-N -1 3 585.704 4.234 50 0 KIAAHM O=C1c2ccccc2/C(=C/NCCCn2ccnc2)C(=O)N1c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000097980491 553989031 /nfs/dbraw/zinc/98/90/31/553989031.db2.gz BKGVGKHBECZGCL-MOHJPFBDSA-N -1 3 545.596 4.031 50 0 KIAAHM Cc1ccc(C(=O)NC(=S)Nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2N2CCOCC2)cc1 ZINC000097982348 554001542 /nfs/dbraw/zinc/00/15/42/554001542.db2.gz RPAZSEXGDCNCSF-UHFFFAOYSA-N -1 3 545.086 4.413 50 0 KIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=S)NC(=O)c3ccco3)c2)cc1Br ZINC000097982709 554005176 /nfs/dbraw/zinc/00/51/76/554005176.db2.gz QJZKKLCEVKUVOE-UHFFFAOYSA-N -1 3 554.444 4.377 50 0 KIAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=S)N=P(c3ccncc3)(N(C)C)N(C)C)ccc2C)cc1 ZINC000097984109 554014309 /nfs/dbraw/zinc/01/43/09/554014309.db2.gz OASBELPCKHAEGB-UHFFFAOYSA-N -1 3 546.659 4.376 50 0 KIAAHM CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc([O-])c(-c4nc5ccccc5s4)c3)cc2)CC1 ZINC000097985336 554022693 /nfs/dbraw/zinc/02/26/93/554022693.db2.gz HCWOWOBPDIJBPV-UHFFFAOYSA-N -1 3 566.661 4.384 50 0 KIAAHM COc1ccc(C(=O)Oc2coc(CSc3nnc([N-]C(=O)c4cccs4)s3)cc2=O)cc1OC ZINC000097990874 554029851 /nfs/dbraw/zinc/02/98/51/554029851.db2.gz SOBSUFDUPPBPQN-UHFFFAOYSA-N -1 3 531.593 4.334 50 0 KIAAHM COc1cccc(C(=O)Oc2coc(CSc3nnc([N-]C(=O)c4cccs4)s3)cc2=O)c1OC ZINC000097990875 554029732 /nfs/dbraw/zinc/02/97/32/554029732.db2.gz NFGMVWVZSXURIS-UHFFFAOYSA-N -1 3 531.593 4.334 50 0 KIAAHM COc1cc(OC)cc(C(=O)Oc2coc(CSc3nnc([N-]C(=O)c4cccs4)s3)cc2=O)c1 ZINC000097990876 554029767 /nfs/dbraw/zinc/02/97/67/554029767.db2.gz UBEKUUKOWMAGCX-UHFFFAOYSA-N -1 3 531.593 4.334 50 0 KIAAHM O=C([N-]c1nnc(SCc2cc(=O)c(OC(=O)c3ccc4c(c3)OCO4)co2)s1)c1cccs1 ZINC000097990877 554029813 /nfs/dbraw/zinc/02/98/13/554029813.db2.gz MGPQWRYJMJBTJN-UHFFFAOYSA-N -1 3 515.550 4.045 50 0 KIAAHM COc1cc(C(=O)Oc2coc(CSc3nnc([N-]C(=O)c4cccs4)s3)cc2=O)cc(OC)c1OC ZINC000097990879 554029868 /nfs/dbraw/zinc/02/98/68/554029868.db2.gz ATGOTTWQDFDNTO-UHFFFAOYSA-N -1 3 561.619 4.342 50 0 KIAAHM O=C(COc1ccc(F)cc1)Oc1coc(CSc2nnc([N-]C(=O)c3cccs3)s2)cc1=O ZINC000097990896 554029904 /nfs/dbraw/zinc/02/99/04/554029904.db2.gz KUDBRADTKHSBQK-UHFFFAOYSA-N -1 3 519.557 4.221 50 0 KIAAHM CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2coc(CSc3nnc([N-]C(=O)c4cccs4)s3)cc2=O)cc1 ZINC000097990898 554029894 /nfs/dbraw/zinc/02/98/94/554029894.db2.gz QGSIHISDYUYKFT-UHFFFAOYSA-N -1 3 606.729 4.347 50 0 KIAAHM O=C([N-]c1nnc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)co2)s1)c1cccs1 ZINC000097990899 554029780 /nfs/dbraw/zinc/02/97/80/554029780.db2.gz OBLLWDWAJLSAHM-UHFFFAOYSA-N -1 3 604.713 4.101 50 0 KIAAHM O=C([N-]c1nnc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)co2)s1)c1cccs1 ZINC000097990900 554029914 /nfs/dbraw/zinc/02/99/14/554029914.db2.gz LEIXHGNUPSWKRF-UHFFFAOYSA-N -1 3 618.740 4.491 50 0 KIAAHM COC(=O)c1ccccc1C(=O)Oc1coc(CSc2nnc([N-]C(=O)c3cccs3)s2)cc1=O ZINC000097990903 554030057 /nfs/dbraw/zinc/03/00/57/554030057.db2.gz SWAOXXWPDPWDOF-UHFFFAOYSA-N -1 3 529.577 4.103 50 0 KIAAHM COc1cc(Cc2cc(OC)c(OC)cc2NS(=O)(=O)c2ccc(N3CCC(=O)C3)cc2)c([N-]S(=O)(=O)c2ccc(N3CCC(=O)C3)cc2)cc1OC ZINC000098007156 554063162 /nfs/dbraw/zinc/06/31/62/554063162.db2.gz WJJCGWSNLSAJOP-UHFFFAOYSA-N -1 3 764.879 4.472 50 0 KIAAHM O=C(NC1CCN(Cc2ccccc2)CC1)C1CCC(C[N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000098009616 554069773 /nfs/dbraw/zinc/06/97/73/554069773.db2.gz AQIWATJUSRBXOD-UHFFFAOYSA-N -1 3 554.576 4.376 50 0 KIAAHM O=C([O-])CN[C@H](c1ccccc1)c1cc(Br)ccc1NC(=O)CCNC(=O)OCc1ccccc1 ZINC000098023305 554120799 /nfs/dbraw/zinc/12/07/99/554120799.db2.gz RPFDRXLIHKRSTD-RUZDIDTESA-N -1 3 540.414 4.468 50 0 KIAAHM O=C([O-])CN[C@@H](c1ccccc1)c1cc(Br)ccc1NC(=O)CCNC(=O)OCc1ccccc1 ZINC000098023306 554120912 /nfs/dbraw/zinc/12/09/12/554120912.db2.gz RPFDRXLIHKRSTD-VWLOTQADSA-N -1 3 540.414 4.468 50 0 KIAAHM CCOC(=O)[C@]([O-])(c1ccc(NC(=O)N[C@](C(=O)OCC)(c2ccccc2)C(F)(F)F)cc1)C(F)(F)F ZINC000098042943 554123060 /nfs/dbraw/zinc/12/30/60/554123060.db2.gz WTJYGNHHGQWVID-LEWJYISDSA-N -1 3 536.425 4.142 50 0 KIAAHM CCOC(=O)[C@]([O-])(c1ccc(NC(=O)N[C@@](C(=O)OCC)(c2ccccc2)C(F)(F)F)cc1)C(F)(F)F ZINC000098042944 554123093 /nfs/dbraw/zinc/12/30/93/554123093.db2.gz WTJYGNHHGQWVID-NHCUHLMSSA-N -1 3 536.425 4.142 50 0 KIAAHM CCOC(=O)[C@@]([O-])(c1ccc(NC(=O)N[C@](C(=O)OCC)(c2ccccc2)C(F)(F)F)cc1)C(F)(F)F ZINC000098042945 554123223 /nfs/dbraw/zinc/12/32/23/554123223.db2.gz WTJYGNHHGQWVID-SFTDATJTSA-N -1 3 536.425 4.142 50 0 KIAAHM CCOC(=O)[C@](NC(=O)Nc1ccc([C@]([O-])(C(=O)OCC)C(F)(F)F)cc1)(c1ccccc1)C(F)(F)F ZINC000098042946 554123594 /nfs/dbraw/zinc/12/35/94/554123594.db2.gz WTJYGNHHGQWVID-RTWAWAEBSA-N -1 3 536.425 4.142 50 0 KIAAHM CCOC(=O)[C@]([O-])(c1ccc(NC(=O)N[C@](C(=O)OCC)(c2ccccc2)C(F)(F)F)c(C)c1)C(F)(F)F ZINC000098042947 554123626 /nfs/dbraw/zinc/12/36/26/554123626.db2.gz MHAZUWFJIMMCGM-FCHUYYIVSA-N -1 3 550.452 4.450 50 0 KIAAHM CCOC(=O)[C@]([O-])(c1ccc(NC(=O)N[C@@](C(=O)OCC)(c2ccccc2)C(F)(F)F)c(C)c1)C(F)(F)F ZINC000098042948 554123462 /nfs/dbraw/zinc/12/34/62/554123462.db2.gz MHAZUWFJIMMCGM-FGZHOGPDSA-N -1 3 550.452 4.450 50 0 KIAAHM CCOC(=O)[C@@]([O-])(c1ccc(NC(=O)N[C@](C(=O)OCC)(c2ccccc2)C(F)(F)F)c(C)c1)C(F)(F)F ZINC000098042949 554123568 /nfs/dbraw/zinc/12/35/68/554123568.db2.gz MHAZUWFJIMMCGM-VXKWHMMOSA-N -1 3 550.452 4.450 50 0 KIAAHM CCOC(=O)[C@](NC(=O)Nc1ccc([C@]([O-])(C(=O)OCC)C(F)(F)F)cc1C)(c1ccccc1)C(F)(F)F ZINC000098042950 554123614 /nfs/dbraw/zinc/12/36/14/554123614.db2.gz MHAZUWFJIMMCGM-YADHBBJMSA-N -1 3 550.452 4.450 50 0 KIAAHM COC(=O)c1c([N-]C(=O)c2nc(S(=O)(=O)Cc3ccc(F)cc3)ncc2Cl)sc2c1CCCC2 ZINC000098048022 554158912 /nfs/dbraw/zinc/15/89/12/554158912.db2.gz FOYOQAJUYHMGRC-UHFFFAOYSA-N -1 3 523.995 4.222 50 0 KIAAHM CCN(c1ccccc1)S(=O)(=O)c1ccc2ncc(C(=O)N(Cc3ccco3)C[C@@H]3CCCO3)c([O-])c2c1 ZINC000098049778 554169001 /nfs/dbraw/zinc/16/90/01/554169001.db2.gz QYESJEIUKBAMAU-QFIPXVFZSA-N -1 3 535.622 4.158 50 0 KIAAHM CCN(c1ccccc1)S(=O)(=O)c1ccc2ncc(C(=O)N(Cc3ccco3)C[C@H]3CCCO3)c([O-])c2c1 ZINC000098049779 554169141 /nfs/dbraw/zinc/16/91/41/554169141.db2.gz QYESJEIUKBAMAU-JOCHJYFZSA-N -1 3 535.622 4.158 50 0 KIAAHM Cc1c(Br)c(C(F)(F)F)nn1CC(=O)[N-]n1c(=O)c2ccccc2nc1-c1ccc(F)cc1 ZINC000098050210 554173231 /nfs/dbraw/zinc/17/32/31/554173231.db2.gz SKVKUINVTNOCAS-UHFFFAOYSA-N -1 3 524.272 4.259 50 0 KIAAHM COc1ccc(C(O[C@H]2C[C@H](n3cnc4c3nc[n-]c4=O)O[C@@H]2CO)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000100016017 554181346 /nfs/dbraw/zinc/18/13/46/554181346.db2.gz VHGPSUHVMFNHMZ-OYUWMTPXSA-N -1 3 554.603 4.206 50 0 KIAAHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3[O-])c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000100250881 554262404 /nfs/dbraw/zinc/26/24/04/554262404.db2.gz QQDHLXWJRVETIM-QCHPHUCNSA-N -1 3 557.466 4.054 50 0 KIAAHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3[O-])c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000100250886 554262623 /nfs/dbraw/zinc/26/26/23/554262623.db2.gz QQDHLXWJRVETIM-VZIOXZNFSA-N -1 3 557.466 4.054 50 0 KIAAHM COC(=O)C[C@H](c1cc(OC)c2c(c1OC)OCO2)c1oc(CSc2ccc(F)cc2F)cc(=O)c1[O-] ZINC000100256011 554264280 /nfs/dbraw/zinc/26/42/80/554264280.db2.gz VVGNVHSVURXUON-OAHLLOKOSA-N -1 3 536.505 4.357 50 0 KIAAHM COC(=O)C[C@@H](c1cc(OC)c2c(c1OC)OCO2)c1oc(CSc2ccc(F)cc2F)cc(=O)c1[O-] ZINC000100256017 554264339 /nfs/dbraw/zinc/26/43/39/554264339.db2.gz VVGNVHSVURXUON-HNNXBMFYSA-N -1 3 536.505 4.357 50 0 KIAAHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(I)c1[O-] ZINC000100275644 554272204 /nfs/dbraw/zinc/27/22/04/554272204.db2.gz DPULKKHSISRLGA-LICLKQGHSA-N -1 3 538.363 4.379 50 0 KIAAHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc(I)c1[O-] ZINC000100354652 554334073 /nfs/dbraw/zinc/33/40/73/554334073.db2.gz JYJOCHKHWZTEMR-MHWRWJLKSA-N -1 3 524.336 4.071 50 0 KIAAHM COc1cccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)Cn2nc(C(F)(F)F)c(Br)c2C)c1 ZINC000100591740 554428545 /nfs/dbraw/zinc/42/85/45/554428545.db2.gz SJZUALRELBNBHD-UHFFFAOYSA-N -1 3 536.308 4.129 50 0 KIAAHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3[O-])c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000100593355 554429414 /nfs/dbraw/zinc/42/94/14/554429414.db2.gz GUXJPGZJCJCQDH-GLSAMTQTSA-N -1 3 579.472 4.428 50 0 KIAAHM Nc1cccc(C(=O)C(=C([O-])C(=O)Nc2c(F)cc(F)cc2Br)[C@@H]2OC(=O)c3ccccc32)c1 ZINC000100742332 554463471 /nfs/dbraw/zinc/46/34/71/554463471.db2.gz JTKIBOOEHAXHDV-XMSQKQJNSA-N -1 3 529.293 4.228 50 0 KIAAHM Nc1cccc(C([O-])=C(C(=O)C(=O)Nc2c(F)cc(F)cc2Br)[C@@H]2OC(=O)c3ccccc32)c1 ZINC000100742332 554463469 /nfs/dbraw/zinc/46/34/69/554463469.db2.gz JTKIBOOEHAXHDV-XMSQKQJNSA-N -1 3 529.293 4.228 50 0 KIAAHM Nc1cccc(C(=O)C(=C([O-])C(=O)Nc2c(F)cc(F)cc2Br)[C@@H]2OC(=O)c3ccccc32)c1 ZINC000100742335 554463535 /nfs/dbraw/zinc/46/35/35/554463535.db2.gz JTKIBOOEHAXHDV-PGRDOPGGSA-N -1 3 529.293 4.228 50 0 KIAAHM Nc1cccc(C([O-])=C(C(=O)C(=O)Nc2c(F)cc(F)cc2Br)[C@@H]2OC(=O)c3ccccc32)c1 ZINC000100742335 554463534 /nfs/dbraw/zinc/46/35/34/554463534.db2.gz JTKIBOOEHAXHDV-PGRDOPGGSA-N -1 3 529.293 4.228 50 0 KIAAHM Nc1cccc(C(=O)C(=C([O-])C(=O)Nc2c(F)cc(F)cc2Br)[C@H]2OC(=O)c3ccccc32)c1 ZINC000100742336 554463516 /nfs/dbraw/zinc/46/35/16/554463516.db2.gz JTKIBOOEHAXHDV-GCJKJVERSA-N -1 3 529.293 4.228 50 0 KIAAHM Nc1cccc(C([O-])=C(C(=O)C(=O)Nc2c(F)cc(F)cc2Br)[C@H]2OC(=O)c3ccccc32)c1 ZINC000100742336 554463514 /nfs/dbraw/zinc/46/35/14/554463514.db2.gz JTKIBOOEHAXHDV-GCJKJVERSA-N -1 3 529.293 4.228 50 0 KIAAHM Nc1cccc(C(=O)C(=C([O-])C(=O)Nc2c(F)cc(F)cc2Br)[C@H]2OC(=O)c3ccccc32)c1 ZINC000100742340 554463527 /nfs/dbraw/zinc/46/35/27/554463527.db2.gz JTKIBOOEHAXHDV-AVRDEDQJSA-N -1 3 529.293 4.228 50 0 KIAAHM Nc1cccc(C([O-])=C(C(=O)C(=O)Nc2c(F)cc(F)cc2Br)[C@H]2OC(=O)c3ccccc32)c1 ZINC000100742340 554463526 /nfs/dbraw/zinc/46/35/26/554463526.db2.gz JTKIBOOEHAXHDV-AVRDEDQJSA-N -1 3 529.293 4.228 50 0 KIAAHM CCCCOc1ccc(N2C(=O)C3=C(C(O)n4nnc5ccccc54)N4c5ccccc5C=C[C@H]4C3=C2[O-])cc1 ZINC000100850907 554492590 /nfs/dbraw/zinc/49/25/90/554492590.db2.gz KTDRFJFAZLIHPN-LAJGZZDBSA-N -1 3 533.588 4.340 50 0 KIAAHM O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3C2=C([O-])N1c1cccc(C(F)(F)F)c1 ZINC000100858892 554494431 /nfs/dbraw/zinc/49/44/31/554494431.db2.gz DALKPDWSIKEYEL-NEWJYFPISA-N -1 3 529.478 4.180 50 0 KIAAHM O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3C2=C([O-])N1c1ccc(Cl)cc1Cl ZINC000100869516 554497405 /nfs/dbraw/zinc/49/74/05/554497405.db2.gz OROLLOSYJNQNEV-NEWJYFPISA-N -1 3 530.371 4.468 50 0 KIAAHM O=c1c2c(-c3ccc(Br)cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc2c(c1)OCCO2 ZINC000100888315 554509440 /nfs/dbraw/zinc/50/94/40/554509440.db2.gz DDDQYESSUGWQCP-GGAORHGYSA-N -1 3 504.340 4.003 50 0 KIAAHM O=C(c1cccc(F)c1)N1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2C(=O)N2CCCCC2)CC1 ZINC000100889776 554510918 /nfs/dbraw/zinc/51/09/18/554510918.db2.gz XNQINOFIBYSGOW-UHFFFAOYSA-N -1 3 550.656 4.215 50 0 KIAAHM O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3C2=C([O-])N1c1cc(Cl)cc(Cl)c1 ZINC000100903023 554515322 /nfs/dbraw/zinc/51/53/22/554515322.db2.gz VPQBFASLOYEJLE-NEWJYFPISA-N -1 3 530.371 4.468 50 0 KIAAHM Cc1ccc(-n2[n-]c(C(=O)Nc3ccccc3)c3c(=O)n(-c4ccc(Br)cc4)c(O)c2-3)cc1 ZINC000100950644 554537257 /nfs/dbraw/zinc/53/72/57/554537257.db2.gz GTNXQRBBLUXWLT-IFMALSPDSA-N -1 3 503.356 4.130 50 0 KIAAHM Cc1ccc(-n2[n-]c(C(=O)Nc3ccccc3)c3c(=O)n(-c4ccc(Br)cc4)c(O)c2-3)cc1 ZINC000100950647 554537250 /nfs/dbraw/zinc/53/72/50/554537250.db2.gz GTNXQRBBLUXWLT-IRLDBZIGSA-N -1 3 503.356 4.130 50 0 KIAAHM Cc1ccc(-n2[n-]c(C(=O)Nc3ccccc3)c3c(=O)n(-c4ccc(Br)cc4)c(O)c2-3)cc1 ZINC000100950650 554537274 /nfs/dbraw/zinc/53/72/74/554537274.db2.gz GTNXQRBBLUXWLT-RBBKRZOGSA-N -1 3 503.356 4.130 50 0 KIAAHM Cc1ccc(-n2[n-]c(C(=O)Nc3ccccc3)c3c(=O)n(-c4ccc(Br)cc4)c(O)c2-3)cc1 ZINC000100950654 554537221 /nfs/dbraw/zinc/53/72/21/554537221.db2.gz GTNXQRBBLUXWLT-UNMCSNQZSA-N -1 3 503.356 4.130 50 0 KIAAHM O=C([O-])[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)O[C@@H](CNCc1ccccc1)COCc1ccccc1 ZINC000101004913 554553546 /nfs/dbraw/zinc/55/35/46/554553546.db2.gz KVODDMVRUSVZDC-YPKYBTACSA-N -1 3 611.647 4.441 50 0 KIAAHM O=C(Nc1ccc(Br)cc1F)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000101061390 554570173 /nfs/dbraw/zinc/57/01/73/554570173.db2.gz MNWZBZSEHMQUHY-SFHVURJKSA-N -1 3 535.420 4.121 50 0 KIAAHM O=C(Nc1ccc(Br)cc1F)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000101061392 554570220 /nfs/dbraw/zinc/57/02/20/554570220.db2.gz MNWZBZSEHMQUHY-GOSISDBHSA-N -1 3 535.420 4.121 50 0 KIAAHM O=c1c2c(-c3ccc(Br)cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc2c(c1)OCCO2 ZINC000101070649 554574953 /nfs/dbraw/zinc/57/49/53/554574953.db2.gz DDDQYESSUGWQCP-FYYLOGMGSA-N -1 3 504.340 4.003 50 0 KIAAHM O=c1c2c(-c3ccc(Br)cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc2c(c1)OCCO2 ZINC000101070651 554574947 /nfs/dbraw/zinc/57/49/47/554574947.db2.gz DDDQYESSUGWQCP-JTHBVZDNSA-N -1 3 504.340 4.003 50 0 KIAAHM O=c1c2c(-c3ccc(Br)cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc2c(c1)OCCO2 ZINC000101070652 554575028 /nfs/dbraw/zinc/57/50/28/554575028.db2.gz DDDQYESSUGWQCP-GMAHTHKFSA-N -1 3 504.340 4.003 50 0 KIAAHM O=C(NC1CCN(Cc2ccccc2)CC1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000101090122 554581647 /nfs/dbraw/zinc/58/16/47/554581647.db2.gz MDPXNOBERJYHNX-QFIPXVFZSA-N -1 3 562.555 4.181 50 0 KIAAHM O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000101090124 554581714 /nfs/dbraw/zinc/58/17/14/554581714.db2.gz MDPXNOBERJYHNX-JOCHJYFZSA-N -1 3 562.555 4.181 50 0 KIAAHM COC(=O)c1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Br)cc1 ZINC000101134145 554650960 /nfs/dbraw/zinc/65/09/60/554650960.db2.gz TZXMIPCFKPQTNA-VSKRKVRLSA-N -1 3 507.340 4.287 50 0 KIAAHM COC(=O)c1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000101134151 554651001 /nfs/dbraw/zinc/65/10/01/554651001.db2.gz TZXMIPCFKPQTNA-FSSWDIPSSA-N -1 3 507.340 4.287 50 0 KIAAHM Cn1nccc1C(=O)Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101161945 554659967 /nfs/dbraw/zinc/65/99/67/554659967.db2.gz DZKDLLHIHSJKOT-SDHSZQHLSA-N -1 3 528.952 4.344 50 0 KIAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1[O-] ZINC000101192660 554670996 /nfs/dbraw/zinc/67/09/96/554670996.db2.gz BLSRMBJWZKNMQD-XJUOHMSHSA-N -1 3 509.356 4.210 50 0 KIAAHM COc1ccc(Cl)cc1N1CCN(Cc2cc(=O)[n-]c(N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)n2)CC1 ZINC000101210891 554679537 /nfs/dbraw/zinc/67/95/37/554679537.db2.gz XPJZFBPAPVETGU-UHFFFAOYSA-N -1 3 591.927 4.023 50 0 KIAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1cc(C)nn1C ZINC000101211531 554679480 /nfs/dbraw/zinc/67/94/80/554679480.db2.gz GDRJJHSRUREXAI-PFBJBMPXSA-N -1 3 538.560 4.007 50 0 KIAAHM COc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3cccc(C)c3)C(=O)[C@H]21 ZINC000101263152 554697817 /nfs/dbraw/zinc/69/78/17/554697817.db2.gz ITSWRBZBAJNIMH-VABKMULXSA-N -1 3 520.383 4.026 50 0 KIAAHM COc1cccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4cccc(C)c4)C(=O)[C@@H]32)c1 ZINC000101263158 554697827 /nfs/dbraw/zinc/69/78/27/554697827.db2.gz GEVORDKIAXOBJV-VJBWXMMDSA-N -1 3 520.383 4.026 50 0 KIAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2ccccc2F)c1 ZINC000101263184 554697804 /nfs/dbraw/zinc/69/78/04/554697804.db2.gz BBCUETAIROSFIJ-FSSWDIPSSA-N -1 3 508.347 4.157 50 0 KIAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@@H]3c2ccccc2F)c1 ZINC000101263192 554697795 /nfs/dbraw/zinc/69/77/95/554697795.db2.gz BBCUETAIROSFIJ-VSKRKVRLSA-N -1 3 508.347 4.157 50 0 KIAAHM COc1cccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(C)cc4)C(=O)[C@@H]32)c1 ZINC000101263207 554697927 /nfs/dbraw/zinc/69/79/27/554697927.db2.gz CJDXZQKWOZKMCP-VJBWXMMDSA-N -1 3 520.383 4.026 50 0 KIAAHM Cc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 ZINC000101263234 554697883 /nfs/dbraw/zinc/69/78/83/554697883.db2.gz QNFGOJZTBZCMOH-VABKMULXSA-N -1 3 504.384 4.326 50 0 KIAAHM CCOc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000101263258 554697867 /nfs/dbraw/zinc/69/78/67/554697867.db2.gz XDFYCAWFDCPUOA-SGNDLWITSA-N -1 3 534.410 4.416 50 0 KIAAHM Cc1cc(C)n(CC(=O)[N-]c2oncc2-c2ccccc2)c(=O)c1S(=O)(=O)c1ccc(Br)cc1 ZINC000101280249 554705323 /nfs/dbraw/zinc/70/53/23/554705323.db2.gz JLTPRJDYNCZZGJ-UHFFFAOYSA-N -1 3 542.411 4.354 50 0 KIAAHM CCOC(=O)c1ccc(NC(=O)C2CCC(C[N-]S(=O)(=O)c3ccc(Br)s3)CC2)cc1 ZINC000101339846 554735047 /nfs/dbraw/zinc/73/50/47/554735047.db2.gz SKKQUTOTGKOPJT-UHFFFAOYSA-N -1 3 529.478 4.411 50 0 KIAAHM O=C(NCCc1ccc(Cl)cc1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000101339992 554735072 /nfs/dbraw/zinc/73/50/72/554735072.db2.gz KSWBHKXKWGBMMM-SFHVURJKSA-N -1 3 527.893 4.413 50 0 KIAAHM O=C(NCCc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000101339996 554735091 /nfs/dbraw/zinc/73/50/91/554735091.db2.gz KSWBHKXKWGBMMM-GOSISDBHSA-N -1 3 527.893 4.413 50 0 KIAAHM COc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)c(OC)c1 ZINC000101340012 554735096 /nfs/dbraw/zinc/73/50/96/554735096.db2.gz UARQRVKPCWQOMT-QGZVFWFLSA-N -1 3 525.446 4.056 50 0 KIAAHM COc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)c(OC)c1 ZINC000101340014 554735079 /nfs/dbraw/zinc/73/50/79/554735079.db2.gz UARQRVKPCWQOMT-KRWDZBQOSA-N -1 3 525.446 4.056 50 0 KIAAHM COc1ccc(OC)c(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000101340087 554735053 /nfs/dbraw/zinc/73/50/53/554735053.db2.gz PUWKQUOMJLSVRN-QGZVFWFLSA-N -1 3 525.446 4.056 50 0 KIAAHM COc1ccc(OC)c(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000101340091 554735093 /nfs/dbraw/zinc/73/50/93/554735093.db2.gz PUWKQUOMJLSVRN-KRWDZBQOSA-N -1 3 525.446 4.056 50 0 KIAAHM Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccc3nsnc32)c(Br)c1 ZINC000101423625 554767732 /nfs/dbraw/zinc/76/77/32/554767732.db2.gz WEUNAVGVUNXTBS-LJQANCHMSA-N -1 3 531.457 4.291 50 0 KIAAHM Cc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccc3nsnc32)c(Br)c1 ZINC000101423626 554767781 /nfs/dbraw/zinc/76/77/81/554767781.db2.gz WEUNAVGVUNXTBS-IBGZPJMESA-N -1 3 531.457 4.291 50 0 KIAAHM Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]([N-]S(=O)(=O)c2cccc3nsnc32)c2ccccc2)CC1 ZINC000101429759 554770078 /nfs/dbraw/zinc/77/00/78/554770078.db2.gz HLXUIOGLVMZDTP-HSZRJFAPSA-N -1 3 542.086 4.022 50 0 KIAAHM Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]([N-]S(=O)(=O)c2cccc3nsnc32)c2ccccc2)CC1 ZINC000101429763 554770094 /nfs/dbraw/zinc/77/00/94/554770094.db2.gz HLXUIOGLVMZDTP-QHCPKHFHSA-N -1 3 542.086 4.022 50 0 KIAAHM Cc1cc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccc3nsnc32)ccc1Br ZINC000101429923 554770071 /nfs/dbraw/zinc/77/00/71/554770071.db2.gz NPMXTHMIAZZQGO-LJQANCHMSA-N -1 3 531.457 4.291 50 0 KIAAHM Cc1cc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccc3nsnc32)ccc1Br ZINC000101429924 554770056 /nfs/dbraw/zinc/77/00/56/554770056.db2.gz NPMXTHMIAZZQGO-IBGZPJMESA-N -1 3 531.457 4.291 50 0 KIAAHM CCOc1ccc(OCC)c(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000101430259 554770381 /nfs/dbraw/zinc/77/03/81/554770381.db2.gz KSHJFQHRLVKXGM-OAQYLSRUSA-N -1 3 526.640 4.017 50 0 KIAAHM CCOc1ccc(OCC)c(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000101430264 554770440 /nfs/dbraw/zinc/77/04/40/554770440.db2.gz KSHJFQHRLVKXGM-NRFANRHFSA-N -1 3 526.640 4.017 50 0 KIAAHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nc2c1nnn2Cc1ccc2ccccc2c1 ZINC000101459567 554777970 /nfs/dbraw/zinc/77/79/70/554777970.db2.gz FPFGCGJQOGMRRF-UHFFFAOYSA-N -1 3 535.029 4.350 50 0 KIAAHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nc2c1nnn2Cc1ccc(OC(F)(F)F)cc1 ZINC000101460779 554778305 /nfs/dbraw/zinc/77/83/05/554778305.db2.gz LQDXNPOFHBPPNS-UHFFFAOYSA-N -1 3 568.965 4.096 50 0 KIAAHM Cc1cc(NC(=O)[C@H]([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)ccc1Br ZINC000101468076 554781075 /nfs/dbraw/zinc/78/10/75/554781075.db2.gz ICGZCFUEKPKDAF-HSZRJFAPSA-N -1 3 528.428 4.301 50 0 KIAAHM Cc1cc(NC(=O)[C@@H]([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)ccc1Br ZINC000101468079 554781072 /nfs/dbraw/zinc/78/10/72/554781072.db2.gz ICGZCFUEKPKDAF-QHCPKHFHSA-N -1 3 528.428 4.301 50 0 KIAAHM CCOc1ccc2nc(NC(=O)[C@H]([N-]S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)c3ccccc3)sc2c1 ZINC000101468084 554781048 /nfs/dbraw/zinc/78/10/48/554781048.db2.gz SDGQLSCBYHPSTO-XMMPIXPASA-N -1 3 536.635 4.238 50 0 KIAAHM CCOc1ccc2nc(NC(=O)[C@@H]([N-]S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)c3ccccc3)sc2c1 ZINC000101468086 554781057 /nfs/dbraw/zinc/78/10/57/554781057.db2.gz SDGQLSCBYHPSTO-DEOSSOPVSA-N -1 3 536.635 4.238 50 0 KIAAHM Cc1ccc(NC(=O)[C@H]([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)c(Br)c1 ZINC000101468153 554781036 /nfs/dbraw/zinc/78/10/36/554781036.db2.gz YRKHANZIHPAGNP-HSZRJFAPSA-N -1 3 528.428 4.301 50 0 KIAAHM Cc1ccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)c(Br)c1 ZINC000101468154 554780987 /nfs/dbraw/zinc/78/09/87/554780987.db2.gz YRKHANZIHPAGNP-QHCPKHFHSA-N -1 3 528.428 4.301 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(OC)cc2)[C@H](c2ccc(OC)cc2)C1 ZINC000101491100 554786084 /nfs/dbraw/zinc/78/60/84/554786084.db2.gz CDRIKILKWSUHSB-VWLOTQADSA-N -1 3 529.640 4.005 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(OC)cc2)[C@@H](c2ccc(OC)cc2)C1 ZINC000101491106 554786063 /nfs/dbraw/zinc/78/60/63/554786063.db2.gz CDRIKILKWSUHSB-RUZDIDTESA-N -1 3 529.640 4.005 50 0 KIAAHM COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4cccc(C)c4)C(=O)[C@@H]32)c(OC)c1 ZINC000101644532 554815148 /nfs/dbraw/zinc/81/51/48/554815148.db2.gz VTQBNDYPMNTHQF-SGNDLWITSA-N -1 3 550.409 4.035 50 0 KIAAHM COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4cccc(C)c4)C(=O)[C@H]32)c(OC)c1 ZINC000101644534 554815143 /nfs/dbraw/zinc/81/51/43/554815143.db2.gz VTQBNDYPMNTHQF-HJOGWXRNSA-N -1 3 550.409 4.035 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2ccc(OC)cc2)cc1 ZINC000101644690 554815131 /nfs/dbraw/zinc/81/51/31/554815131.db2.gz SFFFAEYLHUUQFM-SGNDLWITSA-N -1 3 550.409 4.116 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2ccccc2OC)cc1 ZINC000101644841 554815112 /nfs/dbraw/zinc/81/51/12/554815112.db2.gz KXQUYMIMNUGWGO-SGNDLWITSA-N -1 3 550.409 4.116 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2cccc(OC)c2OC)cc1 ZINC000101644904 554815077 /nfs/dbraw/zinc/81/50/77/554815077.db2.gz GEKOLXWEUDSAHB-SGNDLWITSA-N -1 3 580.435 4.125 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@@H]3c2cccc(OC)c2OC)cc1 ZINC000101644912 554815135 /nfs/dbraw/zinc/81/51/35/554815135.db2.gz GEKOLXWEUDSAHB-SMIHKQSGSA-N -1 3 580.435 4.125 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2ccc(F)cc2)cc1 ZINC000101644969 554815119 /nfs/dbraw/zinc/81/51/19/554815119.db2.gz XPRGBDDHMSETDJ-VJBWXMMDSA-N -1 3 538.373 4.247 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2ccc(C)cc2)cc1 ZINC000101645024 554815123 /nfs/dbraw/zinc/81/51/23/554815123.db2.gz CVXCZFUPIRGWNQ-SGNDLWITSA-N -1 3 534.410 4.416 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000101645104 554815091 /nfs/dbraw/zinc/81/50/91/554815091.db2.gz QWSDYHALJCNNOD-ZNZIZOMTSA-N -1 3 610.461 4.134 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000101645110 554815097 /nfs/dbraw/zinc/81/50/97/554815097.db2.gz QWSDYHALJCNNOD-CYXNTTPDSA-N -1 3 610.461 4.134 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2ccccc2F)cc1 ZINC000101645217 554815403 /nfs/dbraw/zinc/81/54/03/554815403.db2.gz QNGMUFLZZNSKSH-VJBWXMMDSA-N -1 3 538.373 4.247 50 0 KIAAHM Cc1ccc(C)c(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccc(OC(F)(F)F)cc4)c(=O)[n-]3)CC2)c1 ZINC000101665499 554822306 /nfs/dbraw/zinc/82/23/06/554822306.db2.gz BSQMLOIJBCRJSJ-UHFFFAOYSA-N -1 3 562.574 4.059 50 0 KIAAHM Cc1ccc(C)c(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccc5ccccc5c4)c(=O)[n-]3)CC2)c1 ZINC000101665639 554822352 /nfs/dbraw/zinc/82/23/52/554822352.db2.gz FDGUESZOOHLQOP-UHFFFAOYSA-N -1 3 528.638 4.314 50 0 KIAAHM O=C(c1ccc(Cl)cc1Cl)N1CCCN(c2nc(CN3CCN(c4ccccc4Cl)CC3)cc(=O)[n-]2)CC1 ZINC000101744380 554834267 /nfs/dbraw/zinc/83/42/67/554834267.db2.gz IBONZQCMYJGRQD-UHFFFAOYSA-N -1 3 575.928 4.405 50 0 KIAAHM O=S(=O)([N-]Cc1nnc(SC[C@@H]2CCCO2)n1-c1cccc(C(F)(F)F)c1)c1cccc2nsnc21 ZINC000101797000 554839312 /nfs/dbraw/zinc/83/93/12/554839312.db2.gz ADNHNYRBIJGTEH-HNNXBMFYSA-N -1 3 556.617 4.040 50 0 KIAAHM O=S(=O)([N-]Cc1nnc(SC[C@H]2CCCO2)n1-c1cccc(C(F)(F)F)c1)c1cccc2nsnc21 ZINC000101797004 554839273 /nfs/dbraw/zinc/83/92/73/554839273.db2.gz ADNHNYRBIJGTEH-OAHLLOKOSA-N -1 3 556.617 4.040 50 0 KIAAHM CCOc1cc(C(=O)[N-]c2nnc(S(=O)(=O)N3c4ccc(C)cc4C[C@@H]3C)s2)cc(OCC)c1OCC ZINC000101943674 554852461 /nfs/dbraw/zinc/85/24/61/554852461.db2.gz RXTGFOQAJASKGV-INIZCTEOSA-N -1 3 546.671 4.435 50 0 KIAAHM CCOc1cc(C(=O)[N-]c2nnc(S(=O)(=O)N3c4ccc(C)cc4C[C@H]3C)s2)cc(OCC)c1OCC ZINC000101943679 554852441 /nfs/dbraw/zinc/85/24/41/554852441.db2.gz RXTGFOQAJASKGV-MRXNPFEDSA-N -1 3 546.671 4.435 50 0 KIAAHM CC(C)CC(=O)N1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000102002145 554866185 /nfs/dbraw/zinc/86/61/85/554866185.db2.gz MTDQDRJMFCTYQO-UHFFFAOYSA-N -1 3 552.672 4.251 50 0 KIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCN(C(=O)NC(C)(C)C)CC3)c(C(=O)N3CCCCC3)c2)cc1 ZINC000102169636 554891176 /nfs/dbraw/zinc/89/11/76/554891176.db2.gz YMNFSHQIEOAFMY-UHFFFAOYSA-N -1 3 555.745 4.442 50 0 KIAAHM COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc1)c2=O ZINC000102221678 554899366 /nfs/dbraw/zinc/89/93/66/554899366.db2.gz UNHWQNPVMZQMDK-UHFFFAOYSA-N -1 3 542.661 4.288 50 0 KIAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CCc1nnc(SCc2ccccc2C)n1-c1ccc(F)cc1 ZINC000102385447 554918750 /nfs/dbraw/zinc/91/87/50/554918750.db2.gz REWYYQWASOLXRJ-UHFFFAOYSA-N -1 3 546.671 4.376 50 0 KIAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000102553582 554963094 /nfs/dbraw/zinc/96/30/94/554963094.db2.gz YJAORXRYIKPBMF-XJUOHMSHSA-N -1 3 553.365 4.216 50 0 KIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4ccccc4F)CC3)c(C(=O)N3CCCC3)c2)cc1 ZINC000102648038 554993835 /nfs/dbraw/zinc/99/38/35/554993835.db2.gz BJJMLPNWEBETFW-UHFFFAOYSA-N -1 3 536.673 4.493 50 0 KIAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC(C)=O)c(OC)c2)cc1 ZINC000102719144 555019663 /nfs/dbraw/zinc/01/96/63/555019663.db2.gz QTWAQYZUGKGOGG-ZRRKCSAHSA-N -1 3 546.576 4.469 50 0 KIAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC(C)=O)c(OC)c2)cc1 ZINC000102719148 555019707 /nfs/dbraw/zinc/01/97/07/555019707.db2.gz QTWAQYZUGKGOGG-STROYTFGSA-N -1 3 546.576 4.469 50 0 KIAAHM CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)c(C(=O)OC)c1C ZINC000102726080 555021930 /nfs/dbraw/zinc/02/19/30/555021930.db2.gz CQNRCEDYKJDBLO-PCCBWWKXSA-N -1 3 520.563 4.071 50 0 KIAAHM CCOC(=O)c1sc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)c(C(=O)OC)c1C ZINC000102726084 555021908 /nfs/dbraw/zinc/02/19/08/555021908.db2.gz CQNRCEDYKJDBLO-QHAWAJNXSA-N -1 3 520.563 4.071 50 0 KIAAHM CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccs2)c(C(=O)OC)c1C ZINC000102727732 555022596 /nfs/dbraw/zinc/02/25/96/555022596.db2.gz PVXCIJCXQOHYBV-GBESFXJTSA-N -1 3 526.592 4.132 50 0 KIAAHM CCOC(=O)c1sc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccs2)c(C(=O)OC)c1C ZINC000102727736 555022473 /nfs/dbraw/zinc/02/24/73/555022473.db2.gz PVXCIJCXQOHYBV-CEXWTWQISA-N -1 3 526.592 4.132 50 0 KIAAHM CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C)cc2)c(C(=O)OC)c1C ZINC000102733168 555024298 /nfs/dbraw/zinc/02/42/98/555024298.db2.gz FUPVOUTWILPMRV-FDFHNCONSA-N -1 3 534.590 4.379 50 0 KIAAHM CCOC(=O)c1sc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C)cc2)c(C(=O)OC)c1C ZINC000102733171 555024406 /nfs/dbraw/zinc/02/44/06/555024406.db2.gz FUPVOUTWILPMRV-BHIFYINESA-N -1 3 534.590 4.379 50 0 KIAAHM CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(OC)c4C(=O)[O-])[C@@H]3C2=O)cc1 ZINC000102736583 555026203 /nfs/dbraw/zinc/02/62/03/555026203.db2.gz WACUPPVBWRDISX-KYPHJKQUSA-N -1 3 532.549 4.242 50 0 KIAAHM CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(OC)c4C(=O)[O-])[C@H]3C2=O)cc1 ZINC000102736587 555026190 /nfs/dbraw/zinc/02/61/90/555026190.db2.gz WACUPPVBWRDISX-RMTZWNOUSA-N -1 3 532.549 4.242 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2cc(OC)ccc2OC)cc1 ZINC000102744824 555036162 /nfs/dbraw/zinc/03/61/62/555036162.db2.gz UBPSFMVGOLGJQF-DSITVLBTSA-N -1 3 580.435 4.125 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@@H]3c2cc(OC)ccc2OC)cc1 ZINC000102744834 555036157 /nfs/dbraw/zinc/03/61/57/555036157.db2.gz UBPSFMVGOLGJQF-SDHSZQHLSA-N -1 3 580.435 4.125 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000102744854 555036211 /nfs/dbraw/zinc/03/62/11/555036211.db2.gz XTHHBYJJFSQLMK-DSITVLBTSA-N -1 3 580.435 4.125 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000102744872 555036143 /nfs/dbraw/zinc/03/61/43/555036143.db2.gz PTFHROUNDIADDO-SGNDLWITSA-N -1 3 610.461 4.134 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000102744878 555036167 /nfs/dbraw/zinc/03/61/67/555036167.db2.gz PTFHROUNDIADDO-SMIHKQSGSA-N -1 3 610.461 4.134 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2ccccc2C)cc1 ZINC000102744885 555036207 /nfs/dbraw/zinc/03/62/07/555036207.db2.gz OCTVRQHHWCKFIH-SGNDLWITSA-N -1 3 534.410 4.416 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2ccc(OC)cc2OC)cc1 ZINC000102744897 555036181 /nfs/dbraw/zinc/03/61/81/555036181.db2.gz UEFJBQXCAIWVEN-DSITVLBTSA-N -1 3 580.435 4.125 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@@H]3c2ccc(OC)cc2OC)cc1 ZINC000102744904 555036408 /nfs/dbraw/zinc/03/64/08/555036408.db2.gz UEFJBQXCAIWVEN-SDHSZQHLSA-N -1 3 580.435 4.125 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2cccc(OC)c2)cc1 ZINC000102744935 555036494 /nfs/dbraw/zinc/03/64/94/555036494.db2.gz LXRYDABWPNNODI-SGNDLWITSA-N -1 3 550.409 4.116 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@@H]3c2cccc(OC)c2)cc1 ZINC000102744940 555036511 /nfs/dbraw/zinc/03/65/11/555036511.db2.gz LXRYDABWPNNODI-SMIHKQSGSA-N -1 3 550.409 4.116 50 0 KIAAHM COc1ccc(OC)c([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccccc4Cl)C(=O)[C@@H]32)c1 ZINC000102745063 555036711 /nfs/dbraw/zinc/03/67/11/555036711.db2.gz NIASZXNUZXJCJU-VJBWXMMDSA-N -1 3 570.827 4.380 50 0 KIAAHM COc1ccc(OC)c([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccccc4Cl)C(=O)[C@H]32)c1 ZINC000102745069 555036729 /nfs/dbraw/zinc/03/67/29/555036729.db2.gz NIASZXNUZXJCJU-VABKMULXSA-N -1 3 570.827 4.380 50 0 KIAAHM COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccccc4Cl)C(=O)[C@@H]32)c(OC)c1 ZINC000102745075 555036703 /nfs/dbraw/zinc/03/67/03/555036703.db2.gz DYDLZWXGMRVCPC-VJBWXMMDSA-N -1 3 570.827 4.380 50 0 KIAAHM COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccccc4Cl)C(=O)[C@H]32)c(OC)c1 ZINC000102745080 555036673 /nfs/dbraw/zinc/03/66/73/555036673.db2.gz DYDLZWXGMRVCPC-VABKMULXSA-N -1 3 570.827 4.380 50 0 KIAAHM COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(C)cc4)C(=O)[C@@H]32)c(OC)c1 ZINC000102745085 555036648 /nfs/dbraw/zinc/03/66/48/555036648.db2.gz JJMJOJHAAOBXBY-SGNDLWITSA-N -1 3 550.409 4.035 50 0 KIAAHM COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(C)cc4)C(=O)[C@H]32)c(OC)c1 ZINC000102745089 555036697 /nfs/dbraw/zinc/03/66/97/555036697.db2.gz JJMJOJHAAOBXBY-HJOGWXRNSA-N -1 3 550.409 4.035 50 0 KIAAHM COc1ccc(OC)c([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(C)cc4)C(=O)[C@@H]32)c1 ZINC000102745098 555036685 /nfs/dbraw/zinc/03/66/85/555036685.db2.gz UGGKXOQQWQMHPU-SGNDLWITSA-N -1 3 550.409 4.035 50 0 KIAAHM COc1ccc(OC)c([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(C)cc4)C(=O)[C@H]32)c1 ZINC000102745102 555036660 /nfs/dbraw/zinc/03/66/60/555036660.db2.gz UGGKXOQQWQMHPU-HJOGWXRNSA-N -1 3 550.409 4.035 50 0 KIAAHM COc1cccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(C)cc4)C(=O)[C@@H]32)c1OC ZINC000102745111 555036725 /nfs/dbraw/zinc/03/67/25/555036725.db2.gz GLIVHLSAXYGKRH-VJBWXMMDSA-N -1 3 550.409 4.035 50 0 KIAAHM COc1cccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(C)cc4)C(=O)[C@H]32)c1OC ZINC000102745113 555036620 /nfs/dbraw/zinc/03/66/20/555036620.db2.gz GLIVHLSAXYGKRH-VABKMULXSA-N -1 3 550.409 4.035 50 0 KIAAHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])N(C(=O)c1cccc(Br)c1)N[C@H]2c1ccc(C)cc1 ZINC000102745123 555036679 /nfs/dbraw/zinc/03/66/79/555036679.db2.gz CBERMKIWKDSAFO-VJBWXMMDSA-N -1 3 520.383 4.026 50 0 KIAAHM COc1cccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccccc4Cl)C(=O)[C@@H]32)c1OC ZINC000102745154 555037013 /nfs/dbraw/zinc/03/70/13/555037013.db2.gz KLTIBQPMMDFTBO-FSSWDIPSSA-N -1 3 570.827 4.380 50 0 KIAAHM COc1cccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccccc4Cl)C(=O)[C@H]32)c1OC ZINC000102745161 555037022 /nfs/dbraw/zinc/03/70/22/555037022.db2.gz KLTIBQPMMDFTBO-FKBYEOEOSA-N -1 3 570.827 4.380 50 0 KIAAHM CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccccc4OC)C(=O)[C@@H]32)cc1 ZINC000102745225 555036958 /nfs/dbraw/zinc/03/69/58/555036958.db2.gz IOGHLMLDGUSAEJ-SGNDLWITSA-N -1 3 534.410 4.280 50 0 KIAAHM CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccccc4OC)C(=O)[C@H]32)cc1 ZINC000102745234 555036938 /nfs/dbraw/zinc/03/69/38/555036938.db2.gz IOGHLMLDGUSAEJ-HJOGWXRNSA-N -1 3 534.410 4.280 50 0 KIAAHM COc1ccc(OC)c([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4cccc(C)c4)C(=O)[C@@H]32)c1 ZINC000102745245 555036943 /nfs/dbraw/zinc/03/69/43/555036943.db2.gz HAXFNOKPMYRYLP-SGNDLWITSA-N -1 3 550.409 4.035 50 0 KIAAHM COc1ccc(OC)c([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4cccc(C)c4)C(=O)[C@H]32)c1 ZINC000102745250 555036999 /nfs/dbraw/zinc/03/69/99/555036999.db2.gz HAXFNOKPMYRYLP-HJOGWXRNSA-N -1 3 550.409 4.035 50 0 KIAAHM CCOc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3cccc(C)c3)C(=O)[C@@H]21 ZINC000102745262 555037264 /nfs/dbraw/zinc/03/72/64/555037264.db2.gz MFKPCGZZJLKQDK-SGNDLWITSA-N -1 3 534.410 4.416 50 0 KIAAHM CCOc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3cccc(C)c3)C(=O)[C@H]21 ZINC000102745270 555037211 /nfs/dbraw/zinc/03/72/11/555037211.db2.gz MFKPCGZZJLKQDK-HJOGWXRNSA-N -1 3 534.410 4.416 50 0 KIAAHM O=C(COc1ccccc1Br)[N-]n1c(=O)c2sccc2nc1SCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000102750036 555044002 /nfs/dbraw/zinc/04/40/02/555044002.db2.gz YPUBKCHPXJMRER-UHFFFAOYSA-N -1 3 604.895 4.323 50 0 KIAAHM O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1 ZINC000102755341 555046987 /nfs/dbraw/zinc/04/69/87/555046987.db2.gz VKGJVBRWARFAJR-UHFFFAOYSA-N -1 3 528.634 4.230 50 0 KIAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000102755679 555048028 /nfs/dbraw/zinc/04/80/28/555048028.db2.gz DCADHTLNFGSTNF-MQSCRBSSSA-N -1 3 508.914 4.107 50 0 KIAAHM Cn1nccc1C(=O)Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102756044 555048833 /nfs/dbraw/zinc/04/88/33/555048833.db2.gz DZKDLLHIHSJKOT-ISJGIBHGSA-N -1 3 528.952 4.344 50 0 KIAAHM Cn1nccc1C(=O)Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102756046 555048786 /nfs/dbraw/zinc/04/87/86/555048786.db2.gz DZKDLLHIHSJKOT-UBFVSLLYSA-N -1 3 528.952 4.344 50 0 KIAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc(Br)c1[O-] ZINC000102760452 555052230 /nfs/dbraw/zinc/05/22/30/555052230.db2.gz BLSRMBJWZKNMQD-QZNHQXDQSA-N -1 3 509.356 4.210 50 0 KIAAHM COc1cc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc(Br)c1[O-] ZINC000102760456 555052190 /nfs/dbraw/zinc/05/21/90/555052190.db2.gz BLSRMBJWZKNMQD-MQSCRBSSSA-N -1 3 509.356 4.210 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000102761637 555052660 /nfs/dbraw/zinc/05/26/60/555052660.db2.gz LLLAMHWQRICLGC-PPJWLVRDSA-N -1 3 504.539 4.162 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000102761639 555052675 /nfs/dbraw/zinc/05/26/75/555052675.db2.gz LLLAMHWQRICLGC-JQYIIUTOSA-N -1 3 504.539 4.162 50 0 KIAAHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OC)c(OC)c1OC ZINC000102761710 555052756 /nfs/dbraw/zinc/05/27/56/555052756.db2.gz JPJFIDXHBGUPFE-PPJWLVRDSA-N -1 3 504.539 4.162 50 0 KIAAHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OC)c(OC)c1OC ZINC000102761712 555052742 /nfs/dbraw/zinc/05/27/42/555052742.db2.gz JPJFIDXHBGUPFE-JQYIIUTOSA-N -1 3 504.539 4.162 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102761986 555053073 /nfs/dbraw/zinc/05/30/73/555053073.db2.gz YKRKUYRLGMJTTO-BFLUCZKCSA-N -1 3 504.539 4.162 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102761990 555053057 /nfs/dbraw/zinc/05/30/57/555053057.db2.gz YKRKUYRLGMJTTO-DGWZTRNLSA-N -1 3 504.539 4.162 50 0 KIAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1cc(C)nn1C ZINC000102762300 555053108 /nfs/dbraw/zinc/05/31/08/555053108.db2.gz GDRJJHSRUREXAI-ZONZVBGPSA-N -1 3 538.560 4.007 50 0 KIAAHM CCOc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)c(OC)cc2OC)c1 ZINC000102762924 555053435 /nfs/dbraw/zinc/05/34/35/555053435.db2.gz XYHHXMUJFRMXPM-KKUQBAQOSA-N -1 3 504.539 4.162 50 0 KIAAHM CCOc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)c(OC)cc2OC)c1 ZINC000102762927 555053395 /nfs/dbraw/zinc/05/33/95/555053395.db2.gz XYHHXMUJFRMXPM-UODIDJSMSA-N -1 3 504.539 4.162 50 0 KIAAHM CCOc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(OC)c2OC)c1 ZINC000102763211 555053686 /nfs/dbraw/zinc/05/36/86/555053686.db2.gz WMXVNNCFPVXEDE-JCYRPKCISA-N -1 3 504.539 4.162 50 0 KIAAHM CCOc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(OC)c2OC)c1 ZINC000102763219 555053738 /nfs/dbraw/zinc/05/37/38/555053738.db2.gz WMXVNNCFPVXEDE-MVERNJQCSA-N -1 3 504.539 4.162 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000102764346 555054309 /nfs/dbraw/zinc/05/43/09/555054309.db2.gz VOPAODULPIWLMY-JIMJEQGWSA-N -1 3 504.539 4.162 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000102764349 555054391 /nfs/dbraw/zinc/05/43/91/555054391.db2.gz VOPAODULPIWLMY-TWJOJJKGSA-N -1 3 504.539 4.162 50 0 KIAAHM CCCCN(CCCNC(=O)c1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1[O-])c1ccccc1 ZINC000102771335 555060271 /nfs/dbraw/zinc/06/02/71/555060271.db2.gz XZKDJWIXFISPLI-UHFFFAOYSA-N -1 3 538.714 4.375 50 0 KIAAHM CCCCN(CCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O)c1ccccc1 ZINC000102771335 555060268 /nfs/dbraw/zinc/06/02/68/555060268.db2.gz XZKDJWIXFISPLI-UHFFFAOYSA-N -1 3 538.714 4.375 50 0 KIAAHM O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2nc(CN3CCN(c4cccc(Cl)c4)CC3)cc(=O)[n-]2)CC1 ZINC000102771814 555060605 /nfs/dbraw/zinc/06/06/05/555060605.db2.gz HSDQNORZNOHFSN-UHFFFAOYSA-N -1 3 576.023 4.118 50 0 KIAAHM CCOC(=O)c1oc2ccccc2c1COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000102777463 555063258 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O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc(CN3CCN(c4ccccc4Cl)CC3)cc(=O)[n-]2)CC1 ZINC000103295521 555354209 /nfs/dbraw/zinc/35/42/09/555354209.db2.gz INGICQPFBYLCRN-UHFFFAOYSA-N -1 3 561.901 4.015 50 0 KIAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CCNc1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC000103394253 555378623 /nfs/dbraw/zinc/37/86/23/555378623.db2.gz YXMQATFROUKEMU-UHFFFAOYSA-N -1 3 520.995 4.328 50 0 KIAAHM COc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3cccc(C)c3)C(=O)[C@@H]21 ZINC000103588135 555452160 /nfs/dbraw/zinc/45/21/60/555452160.db2.gz ITSWRBZBAJNIMH-XPWALMASSA-N -1 3 520.383 4.026 50 0 KIAAHM COc1cccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4cccc(C)c4)C(=O)[C@@H]32)c1 ZINC000103588147 555452154 /nfs/dbraw/zinc/45/21/54/555452154.db2.gz GEVORDKIAXOBJV-XPWALMASSA-N -1 3 520.383 4.026 50 0 KIAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2ccccc2C)c1 ZINC000103588166 555452132 /nfs/dbraw/zinc/45/21/32/555452132.db2.gz GJPDMGMXUFACPF-XPWALMASSA-N -1 3 504.384 4.326 50 0 KIAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2ccccc2F)c1 ZINC000103588185 555452170 /nfs/dbraw/zinc/45/21/70/555452170.db2.gz BBCUETAIROSFIJ-BHIFYINESA-N -1 3 508.347 4.157 50 0 KIAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2ccc(F)cc2)c1 ZINC000103588191 555452106 /nfs/dbraw/zinc/45/21/06/555452106.db2.gz PWFOUWABEIBHCW-BHIFYINESA-N -1 3 508.347 4.157 50 0 KIAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@@H]3c2ccc(F)cc2)c1 ZINC000103588196 555452157 /nfs/dbraw/zinc/45/21/57/555452157.db2.gz PWFOUWABEIBHCW-YPAWHYETSA-N -1 3 508.347 4.157 50 0 KIAAHM COc1cccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(C)cc4)C(=O)[C@@H]32)c1 ZINC000103588210 555452165 /nfs/dbraw/zinc/45/21/65/555452165.db2.gz CJDXZQKWOZKMCP-XPWALMASSA-N -1 3 520.383 4.026 50 0 KIAAHM Cc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1 ZINC000103588237 555452180 /nfs/dbraw/zinc/45/21/80/555452180.db2.gz QNFGOJZTBZCMOH-XPWALMASSA-N -1 3 504.384 4.326 50 0 KIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2ccccc2F)cc1 ZINC000103588260 555452197 /nfs/dbraw/zinc/45/21/97/555452197.db2.gz VMEBTBUSFZGWFQ-BHIFYINESA-N -1 3 508.347 4.157 50 0 KIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@@H]3c2ccc(F)cc2)cc1 ZINC000103588283 555452137 /nfs/dbraw/zinc/45/21/37/555452137.db2.gz PHCUZJZHPYFNDH-YPAWHYETSA-N -1 3 508.347 4.157 50 0 KIAAHM CCOc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000103588296 555452147 /nfs/dbraw/zinc/45/21/47/555452147.db2.gz XDFYCAWFDCPUOA-TZRRMPRUSA-N -1 3 534.410 4.416 50 0 KIAAHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc(I)c1[O-] ZINC000103695768 555463580 /nfs/dbraw/zinc/46/35/80/555463580.db2.gz FIRNZFCTYYDZAP-YVLHZVERSA-N -1 3 538.363 4.379 50 0 KIAAHM COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1 ZINC000103869325 571368205 /nfs/dbraw/zinc/36/82/05/571368205.db2.gz VTWUYBZMHQDIJU-XPWALMASSA-N -1 3 520.383 4.026 50 0 KIAAHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])N(C(=O)c1cccc(Br)c1)N[C@@H]2c1ccc(C)cc1 ZINC000103869348 571368196 /nfs/dbraw/zinc/36/81/96/571368196.db2.gz CBERMKIWKDSAFO-DNVJHFABSA-N -1 3 520.383 4.026 50 0 KIAAHM CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccccc4OC)C(=O)[C@@H]32)cc1 ZINC000103869380 571368255 /nfs/dbraw/zinc/36/82/55/571368255.db2.gz IOGHLMLDGUSAEJ-TZRRMPRUSA-N -1 3 534.410 4.280 50 0 KIAAHM CCOc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3cccc(C)c3)C(=O)[C@@H]21 ZINC000103869391 571368223 /nfs/dbraw/zinc/36/82/23/571368223.db2.gz MFKPCGZZJLKQDK-TZRRMPRUSA-N -1 3 534.410 4.416 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000104784220 571385957 /nfs/dbraw/zinc/38/59/57/571385957.db2.gz SFFFAEYLHUUQFM-WXFUMESZSA-N -1 3 550.409 4.116 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@@H]3c2cc(OC)ccc2OC)cc1 ZINC000104784241 571386015 /nfs/dbraw/zinc/38/60/15/571386015.db2.gz UBPSFMVGOLGJQF-UBFVSLLYSA-N 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/nfs/dbraw/zinc/38/59/96/571385996.db2.gz UEFJBQXCAIWVEN-DSNGMDLFSA-N -1 3 580.435 4.125 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000104784281 571385954 /nfs/dbraw/zinc/38/59/54/571385954.db2.gz QWSDYHALJCNNOD-UODIDJSMSA-N -1 3 610.461 4.134 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@@H]3c2cccc(OC)c2)cc1 ZINC000104784300 571386001 /nfs/dbraw/zinc/38/60/01/571386001.db2.gz LXRYDABWPNNODI-WXFUMESZSA-N -1 3 550.409 4.116 50 0 KIAAHM COc1ccc(OC)c([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccccc4Cl)C(=O)[C@@H]32)c1 ZINC000104784377 571386101 /nfs/dbraw/zinc/38/61/01/571386101.db2.gz NIASZXNUZXJCJU-XPWALMASSA-N -1 3 570.827 4.380 50 0 KIAAHM COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccccc4Cl)C(=O)[C@@H]32)c(OC)c1 ZINC000104784384 571385993 /nfs/dbraw/zinc/38/59/93/571385993.db2.gz DYDLZWXGMRVCPC-XPWALMASSA-N -1 3 570.827 4.380 50 0 KIAAHM COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(C)cc4)C(=O)[C@@H]32)c(OC)c1 ZINC000104784394 571386062 /nfs/dbraw/zinc/38/60/62/571386062.db2.gz JJMJOJHAAOBXBY-TZRRMPRUSA-N -1 3 550.409 4.035 50 0 KIAAHM COc1ccc(OC)c([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(C)cc4)C(=O)[C@@H]32)c1 ZINC000104784405 571386004 /nfs/dbraw/zinc/38/60/04/571386004.db2.gz UGGKXOQQWQMHPU-TZRRMPRUSA-N -1 3 550.409 4.035 50 0 KIAAHM COc1cccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(C)cc4)C(=O)[C@@H]32)c1OC ZINC000104784416 571385969 /nfs/dbraw/zinc/38/59/69/571385969.db2.gz GLIVHLSAXYGKRH-XPWALMASSA-N -1 3 550.409 4.035 50 0 KIAAHM COc1cccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccccc4Cl)C(=O)[C@@H]32)c1OC ZINC000104784443 571386178 /nfs/dbraw/zinc/38/61/78/571386178.db2.gz KLTIBQPMMDFTBO-BHIFYINESA-N -1 3 570.827 4.380 50 0 KIAAHM COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4cccc(C)c4)C(=O)[C@@H]32)c(OC)c1 ZINC000104784470 571386122 /nfs/dbraw/zinc/38/61/22/571386122.db2.gz VTQBNDYPMNTHQF-TZRRMPRUSA-N -1 3 550.409 4.035 50 0 KIAAHM COc1ccc(OC)c([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4cccc(C)c4)C(=O)[C@@H]32)c1 ZINC000104784477 571386158 /nfs/dbraw/zinc/38/61/58/571386158.db2.gz HAXFNOKPMYRYLP-TZRRMPRUSA-N -1 3 550.409 4.035 50 0 KIAAHM O=C(CN1C(=O)S/C(=C/c2ccc([O-])c(I)c2)C1=O)Nc1ccc(F)c(F)c1F ZINC000104922817 571387930 /nfs/dbraw/zinc/38/79/30/571387930.db2.gz KFWNEUNSSZKUQA-AWNIVKPZSA-N -1 3 534.253 4.089 50 0 KIAAHM COCCCN(Cc1nc(=O)c2c3c(sc2[n-]1)CN(Cc1ccccc1)CC3)C[C@@H](O)c1ccccc1 ZINC000104986458 571388738 /nfs/dbraw/zinc/38/87/38/571388738.db2.gz HDZRPCBVGWIDMK-XMMPIXPASA-N -1 3 518.683 4.115 50 0 KIAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000105795836 571408677 /nfs/dbraw/zinc/40/86/77/571408677.db2.gz YJAORXRYIKPBMF-MQSCRBSSSA-N -1 3 553.365 4.216 50 0 KIAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000106535707 571412903 /nfs/dbraw/zinc/41/29/03/571412903.db2.gz DKZLILOJMLTBJU-VEAWFHDZSA-N -1 3 512.537 4.405 50 0 KIAAHM COC(=O)c1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000107175463 571419852 /nfs/dbraw/zinc/41/98/52/571419852.db2.gz TZXMIPCFKPQTNA-FDFHNCONSA-N -1 3 507.340 4.287 50 0 KIAAHM COC(=O)c1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000107175469 571419841 /nfs/dbraw/zinc/41/98/41/571419841.db2.gz TZXMIPCFKPQTNA-BHIFYINESA-N -1 3 507.340 4.287 50 0 KIAAHM CO[C@H](Oc1ccc(C(=O)Cc2ccc3ccccc3n2)c([O-])c1)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C)OC(C)=O ZINC000109584605 571429534 /nfs/dbraw/zinc/42/95/34/571429534.db2.gz BFLBVOSIZRAVCS-KZTQBADZSA-N -1 3 553.564 4.163 50 0 KIAAHM O=S(=O)([N-]C1CCCCC1)c1cc(S(=O)(=O)c2cccc(S(=O)(=O)NC3CCCCC3)c2)ccc1Cl ZINC000135669228 571448818 /nfs/dbraw/zinc/44/88/18/571448818.db2.gz CHDJFEDJFGIMAN-UHFFFAOYSA-N -1 3 575.174 4.395 50 0 KIAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000137864793 571450618 /nfs/dbraw/zinc/45/06/18/571450618.db2.gz DCADHTLNFGSTNF-QZNHQXDQSA-N -1 3 508.914 4.107 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000137914851 571450810 /nfs/dbraw/zinc/45/08/10/571450810.db2.gz LLLAMHWQRICLGC-JCYRPKCISA-N -1 3 504.539 4.162 50 0 KIAAHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OC)c(OC)c1OC ZINC000137915703 571450799 /nfs/dbraw/zinc/45/07/99/571450799.db2.gz JPJFIDXHBGUPFE-JCYRPKCISA-N -1 3 504.539 4.162 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000137918865 571450928 /nfs/dbraw/zinc/45/09/28/571450928.db2.gz YKRKUYRLGMJTTO-KYPHJKQUSA-N -1 3 504.539 4.162 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000143537337 571456288 /nfs/dbraw/zinc/45/62/88/571456288.db2.gz VOPAODULPIWLMY-KKUQBAQOSA-N -1 3 504.539 4.162 50 0 KIAAHM CCOC(=O)c1nnsc1[N-]C(=O)Nc1ccc(N2CC(=O)N(c3ccc(NC(=O)Nc4snnc4C(=O)OCC)c(C)c3)CC2=O)cc1C ZINC000150341696 571458267 /nfs/dbraw/zinc/45/82/67/571458267.db2.gz TXGLHLOJPSLMNN-UHFFFAOYSA-N -1 3 722.766 4.028 50 0 KIAAHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000150362198 571464029 /nfs/dbraw/zinc/46/40/29/571464029.db2.gz GJBUXEXIVQWQOW-MLJBDGAYSA-N -1 3 656.498 4.279 50 0 KIAAHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c([O-])c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000150362201 571463945 /nfs/dbraw/zinc/46/39/45/571463945.db2.gz GJBUXEXIVQWQOW-BLJGQIRFSA-N -1 3 656.498 4.279 50 0 KIAAHM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000150386617 571469441 /nfs/dbraw/zinc/46/94/41/571469441.db2.gz FWIHLUZBFBLJIM-UHFFFAOYSA-N -1 3 634.054 4.441 50 0 KIAAHM NS(=O)(=O)c1ccc(-n2ncc3c2nc(SCC(=O)N2N=C(c4ccc(Br)cc4)C[C@H]2c2ccc(F)cc2)[n-]c3=O)cc1 ZINC000150419460 571487043 /nfs/dbraw/zinc/48/70/43/571487043.db2.gz XKJVQWVAVYTNBZ-DEOSSOPVSA-N -1 3 682.557 4.128 50 0 KIAAHM NS(=O)(=O)c1ccc(-n2ncc3c2nc(SCC(=O)N2N=C(c4ccc(Br)cc4)C[C@@H]2c2ccc(F)cc2)[n-]c3=O)cc1 ZINC000150419466 571486923 /nfs/dbraw/zinc/48/69/23/571486923.db2.gz XKJVQWVAVYTNBZ-XMMPIXPASA-N -1 3 682.557 4.128 50 0 KIAAHM COc1cccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(S(N)(=O)=O)cc3)c(=O)[n-]2)c1OC ZINC000150419532 571487040 /nfs/dbraw/zinc/48/70/40/571487040.db2.gz CFKQAWPMLNQDAC-DEOSSOPVSA-N -1 3 724.619 4.006 50 0 KIAAHM COc1cccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(S(N)(=O)=O)cc3)c(=O)[n-]2)c1OC ZINC000150419536 571487035 /nfs/dbraw/zinc/48/70/35/571487035.db2.gz CFKQAWPMLNQDAC-XMMPIXPASA-N -1 3 724.619 4.006 50 0 KIAAHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000150439616 571497409 /nfs/dbraw/zinc/49/74/09/571497409.db2.gz NNRUTYNQKUQNMO-JCAJYURWSA-N -1 3 624.884 4.161 50 0 KIAAHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000150439622 571497380 /nfs/dbraw/zinc/49/73/80/571497380.db2.gz NNRUTYNQKUQNMO-JAORQVBISA-N -1 3 624.884 4.161 50 0 KIAAHM COCCCN1C(=O)C(Nc2ccc(OC)cc2OC)=C(Sc2ccc([N-]S(=O)(=O)Cc3ccccc3C(=O)OC)cc2)C1=O ZINC000150457953 571505237 /nfs/dbraw/zinc/50/52/37/571505237.db2.gz FQKKQCUKTWURLA-UHFFFAOYSA-N -1 3 655.751 4.253 50 0 KIAAHM C[C@]([NH3+])(Cc1cc(I)c(Oc2ccc([O-])c(I)c2)c(I)c1)C(=O)[O-] ZINC000150610188 571523024 /nfs/dbraw/zinc/52/30/24/571523024.db2.gz MQBNQPWBYRKFKN-INIZCTEOSA-N -1 3 665.003 4.343 50 0 KIAAHM COc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3cccc(C)c3)C(=O)[C@H]21 ZINC000169694193 571558825 /nfs/dbraw/zinc/55/88/25/571558825.db2.gz ITSWRBZBAJNIMH-RJGXRXQPSA-N -1 3 520.383 4.026 50 0 KIAAHM COc1cccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4cccc(C)c4)C(=O)[C@H]32)c1 ZINC000169694197 571558813 /nfs/dbraw/zinc/55/88/13/571558813.db2.gz GEVORDKIAXOBJV-RJGXRXQPSA-N -1 3 520.383 4.026 50 0 KIAAHM COc1cccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(C)cc4)C(=O)[C@H]32)c1 ZINC000169694217 571558758 /nfs/dbraw/zinc/55/87/58/571558758.db2.gz CJDXZQKWOZKMCP-RJGXRXQPSA-N -1 3 520.383 4.026 50 0 KIAAHM Cc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 ZINC000169694224 571558816 /nfs/dbraw/zinc/55/88/16/571558816.db2.gz QNFGOJZTBZCMOH-RJGXRXQPSA-N -1 3 504.384 4.326 50 0 KIAAHM CCOc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000169694228 571558861 /nfs/dbraw/zinc/55/88/61/571558861.db2.gz XDFYCAWFDCPUOA-KMDXXIMOSA-N -1 3 534.410 4.416 50 0 KIAAHM COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 ZINC000169697054 571558828 /nfs/dbraw/zinc/55/88/28/571558828.db2.gz VTWUYBZMHQDIJU-RJGXRXQPSA-N -1 3 520.383 4.026 50 0 KIAAHM COc1ccc(OC)c([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccccc4Cl)C(=O)[C@H]32)c1 ZINC000169697679 571558752 /nfs/dbraw/zinc/55/87/52/571558752.db2.gz NIASZXNUZXJCJU-RJGXRXQPSA-N -1 3 570.827 4.380 50 0 KIAAHM COc1cccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccccc4Cl)C(=O)[C@H]32)c1OC ZINC000169697683 571558844 /nfs/dbraw/zinc/55/88/44/571558844.db2.gz KLTIBQPMMDFTBO-FDFHNCONSA-N -1 3 570.827 4.380 50 0 KIAAHM CCOc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3cccc(C)c3)C(=O)[C@H]21 ZINC000169699828 571558875 /nfs/dbraw/zinc/55/88/75/571558875.db2.gz MFKPCGZZJLKQDK-KMDXXIMOSA-N -1 3 534.410 4.416 50 0 KIAAHM COc1cccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(C)cc4)C(=O)[C@H]32)c1OC ZINC000169704459 571559012 /nfs/dbraw/zinc/55/90/12/571559012.db2.gz GLIVHLSAXYGKRH-RJGXRXQPSA-N -1 3 550.409 4.035 50 0 KIAAHM CO[C@H](Oc1ccc(C(=O)Cc2ccc3ccccc3n2)c([O-])c1)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](C)OC(C)=O ZINC000170621345 571562846 /nfs/dbraw/zinc/56/28/46/571562846.db2.gz BFLBVOSIZRAVCS-ZQHMCJHZSA-N -1 3 553.564 4.163 50 0 KIAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2cccc(Cl)c2)[C@@H](c2ccccc2F)C1 ZINC000225497432 571866793 /nfs/dbraw/zinc/86/67/93/571866793.db2.gz XIBULXWXYYGSOD-JOCHJYFZSA-N -1 3 507.996 4.391 50 0 KIAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2cccc(Cl)c2)[C@H](c2ccccc2F)C1 ZINC000225497468 571866693 /nfs/dbraw/zinc/86/66/93/571866693.db2.gz XIBULXWXYYGSOD-QFIPXVFZSA-N -1 3 507.996 4.391 50 0 KIAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2cccc(Cl)c2)[C@H](c2ccc(F)cc2)C1 ZINC000225499496 571869128 /nfs/dbraw/zinc/86/91/28/571869128.db2.gz UQXBVDWDXHTHBY-QFIPXVFZSA-N -1 3 507.996 4.391 50 0 KIAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2cccc(Cl)c2)[C@@H](c2ccc(F)cc2)C1 ZINC000225499525 571869327 /nfs/dbraw/zinc/86/93/27/571869327.db2.gz UQXBVDWDXHTHBY-JOCHJYFZSA-N -1 3 507.996 4.391 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2cccc(F)c2)[C@H](c2ccccc2C)C1 ZINC000225782032 572066920 /nfs/dbraw/zinc/06/69/20/572066920.db2.gz DIVJSWGQLUCZHH-DEOSSOPVSA-N -1 3 501.605 4.436 50 0 KIAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2cccc(F)c2)[C@@H](c2ccccc2C)C1 ZINC000225782057 572066828 /nfs/dbraw/zinc/06/68/28/572066828.db2.gz DIVJSWGQLUCZHH-XMMPIXPASA-N -1 3 501.605 4.436 50 0 KIAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1cc(C)nn1C ZINC000226824831 572142797 /nfs/dbraw/zinc/14/27/97/572142797.db2.gz GDRJJHSRUREXAI-OYUWMTPXSA-N -1 3 538.560 4.007 50 0 KIAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)c(OC(C)=O)c(OC)c2)cc1 ZINC000226840555 572143494 /nfs/dbraw/zinc/14/34/94/572143494.db2.gz QTWAQYZUGKGOGG-UNCTUWKVSA-N -1 3 546.576 4.469 50 0 KIAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000227022586 572147436 /nfs/dbraw/zinc/14/74/36/572147436.db2.gz YJAORXRYIKPBMF-QZNHQXDQSA-N -1 3 553.365 4.216 50 0 KIAAHM CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)c(C(=O)OC)c1C ZINC000229982466 572176450 /nfs/dbraw/zinc/17/64/50/572176450.db2.gz CQNRCEDYKJDBLO-PWRODBHTSA-N -1 3 520.563 4.071 50 0 KIAAHM CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccs2)c(C(=O)OC)c1C ZINC000229985112 572176833 /nfs/dbraw/zinc/17/68/33/572176833.db2.gz PVXCIJCXQOHYBV-IPMKNSEASA-N -1 3 526.592 4.132 50 0 KIAAHM CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C)cc2)c(C(=O)OC)c1C ZINC000229994009 572177196 /nfs/dbraw/zinc/17/71/96/572177196.db2.gz FUPVOUTWILPMRV-BHDDXSALSA-N -1 3 534.590 4.379 50 0 KIAAHM CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(OC)c4C(=O)[O-])[C@@H]3C2=O)cc1 ZINC000229997603 572177860 /nfs/dbraw/zinc/17/78/60/572177860.db2.gz WACUPPVBWRDISX-BFLUCZKCSA-N -1 3 532.549 4.242 50 0 KIAAHM CCOc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2OC)c1 ZINC000230042761 572180960 /nfs/dbraw/zinc/18/09/60/572180960.db2.gz XYHHXMUJFRMXPM-JIMJEQGWSA-N -1 3 504.539 4.162 50 0 KIAAHM CCOc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2OC)c1 ZINC000230043354 572181063 /nfs/dbraw/zinc/18/10/63/572181063.db2.gz WMXVNNCFPVXEDE-PPJWLVRDSA-N -1 3 504.539 4.162 50 0 KIAAHM COC(=O)c1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Br)cc1 ZINC000230200151 572185506 /nfs/dbraw/zinc/18/55/06/572185506.db2.gz TZXMIPCFKPQTNA-BHDDXSALSA-N -1 3 507.340 4.287 50 0 KIAAHM CCOC(=O)c1ccc(-c2ccc([C@@H]3NC(=O)N[C@](O)(C(F)(F)F)C3=C([O-])c3ccccc3)o2)cc1 ZINC000238881989 572188596 /nfs/dbraw/zinc/18/85/96/572188596.db2.gz BRCFBOQACZKSIO-JXALWOEJSA-N -1 3 502.445 4.227 50 0 KIAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)c(OC(C)=O)c(OC)c2)cc1 ZINC000239402546 572194572 /nfs/dbraw/zinc/19/45/72/572194572.db2.gz QTWAQYZUGKGOGG-FULLSBAXSA-N -1 3 546.576 4.469 50 0 KIAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@@H]3c2ccccc2F)c1 ZINC000245294835 572226252 /nfs/dbraw/zinc/22/62/52/572226252.db2.gz BBCUETAIROSFIJ-YPAWHYETSA-N -1 3 508.347 4.157 50 0 KIAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@@H]3c2ccccc2C)c1 ZINC000245295506 572226551 /nfs/dbraw/zinc/22/65/51/572226551.db2.gz GJPDMGMXUFACPF-DNVJHFABSA-N -1 3 504.384 4.326 50 0 KIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2ccc(F)cc2)cc1 ZINC000245296731 572226614 /nfs/dbraw/zinc/22/66/14/572226614.db2.gz PHCUZJZHPYFNDH-BHIFYINESA-N -1 3 508.347 4.157 50 0 KIAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245309467 572227497 /nfs/dbraw/zinc/22/74/97/572227497.db2.gz DKZLILOJMLTBJU-YRUYCOJQSA-N -1 3 512.537 4.405 50 0 KIAAHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OC)c(OC)c1OC ZINC000245310672 572228886 /nfs/dbraw/zinc/22/88/86/572228886.db2.gz JPJFIDXHBGUPFE-MVERNJQCSA-N -1 3 504.539 4.162 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000245311013 572228841 /nfs/dbraw/zinc/22/88/41/572228841.db2.gz LLLAMHWQRICLGC-MVERNJQCSA-N -1 3 504.539 4.162 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000245312520 572229783 /nfs/dbraw/zinc/22/97/83/572229783.db2.gz VOPAODULPIWLMY-UODIDJSMSA-N -1 3 504.539 4.162 50 0 KIAAHM CCOc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2OC)c1 ZINC000245312621 572230320 /nfs/dbraw/zinc/23/03/20/572230320.db2.gz WMXVNNCFPVXEDE-JQYIIUTOSA-N -1 3 504.539 4.162 50 0 KIAAHM CCOc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2OC)c1 ZINC000245312856 572230375 /nfs/dbraw/zinc/23/03/75/572230375.db2.gz XYHHXMUJFRMXPM-TWJOJJKGSA-N -1 3 504.539 4.162 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000245312884 572230457 /nfs/dbraw/zinc/23/04/57/572230457.db2.gz YKRKUYRLGMJTTO-RMTZWNOUSA-N -1 3 504.539 4.162 50 0 KIAAHM CCOC(=O)c1sc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)c(C(=O)OC)c1C ZINC000245325153 572231316 /nfs/dbraw/zinc/23/13/16/572231316.db2.gz CQNRCEDYKJDBLO-NJDAHSKKSA-N -1 3 520.563 4.071 50 0 KIAAHM CCOC(=O)c1sc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccs2)c(C(=O)OC)c1C ZINC000245327740 572234125 /nfs/dbraw/zinc/23/41/25/572234125.db2.gz PVXCIJCXQOHYBV-GUDVDZBRSA-N -1 3 526.592 4.132 50 0 KIAAHM CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(OC)c4C(=O)[O-])[C@H]3C2=O)cc1 ZINC000245328654 572235139 /nfs/dbraw/zinc/23/51/39/572235139.db2.gz WACUPPVBWRDISX-DGWZTRNLSA-N -1 3 532.549 4.242 50 0 KIAAHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])N(C(=O)c1cccc(Br)c1)N[C@H]2c1ccc(C)cc1 ZINC000245343021 572237223 /nfs/dbraw/zinc/23/72/23/572237223.db2.gz CBERMKIWKDSAFO-XPWALMASSA-N -1 3 520.383 4.026 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2ccc(C)cc2)cc1 ZINC000245343047 572237390 /nfs/dbraw/zinc/23/73/90/572237390.db2.gz CVXCZFUPIRGWNQ-TZRRMPRUSA-N -1 3 534.410 4.416 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2cccc(OC)c2OC)cc1 ZINC000245343124 572237796 /nfs/dbraw/zinc/23/77/96/572237796.db2.gz GEKOLXWEUDSAHB-TZRRMPRUSA-N -1 3 580.435 4.125 50 0 KIAAHM 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3 580.435 4.125 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2ccc(F)cc2)cc1 ZINC000245343715 572239809 /nfs/dbraw/zinc/23/98/09/572239809.db2.gz XPRGBDDHMSETDJ-XPWALMASSA-N -1 3 538.373 4.247 50 0 KIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000245343721 572239743 /nfs/dbraw/zinc/23/97/43/572239743.db2.gz XTHHBYJJFSQLMK-DSNGMDLFSA-N -1 3 580.435 4.125 50 0 KIAAHM O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3C2=C([O-])N1c1ccc2ccccc2c1 ZINC000247749713 572244386 /nfs/dbraw/zinc/24/43/86/572244386.db2.gz RRWLTOGIHVVQEA-LJWNLINESA-N -1 3 511.541 4.315 50 0 KIAAHM O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@@H]3C2=C([O-])N1c1ccc2ccccc2c1 ZINC000247749714 572244401 /nfs/dbraw/zinc/24/44/01/572244401.db2.gz RRWLTOGIHVVQEA-UNFRKHOWSA-N -1 3 511.541 4.315 50 0 KIAAHM O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@@H]3C2=C([O-])N1c1ccc2ccccc2c1 ZINC000247749715 572244351 /nfs/dbraw/zinc/24/43/51/572244351.db2.gz 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C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3ncc(C(=O)N(Cc4ccco4)C[C@H]4CCCO4)c([O-])c3c2)C1 ZINC000253531025 572298543 /nfs/dbraw/zinc/29/85/43/572298543.db2.gz MRCPBQBLPIOUTL-SFHLNBCPSA-N -1 3 527.643 4.021 50 0 KIAAHM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3ncc(C(=O)N(Cc4ccco4)C[C@H]4CCCO4)c([O-])c3c2)C1 ZINC000253531026 572298513 /nfs/dbraw/zinc/29/85/13/572298513.db2.gz MRCPBQBLPIOUTL-SVFBPWRDSA-N -1 3 527.643 4.021 50 0 KIAAHM Cc1ccc(C(OC[C@@H]2O[C@H](n3cc(Br)c(=O)[n-]c3=O)[C@H](O)[C@H]2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000254611177 572303098 /nfs/dbraw/zinc/30/30/98/572303098.db2.gz SKUBMCFJEDLPSK-RZLMRTLUSA-N -1 3 607.501 4.265 50 0 KIAAHM O=C(O[C@H]1O[C@H](Cn2nnc3c2nc[n-]c3=O)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000261493369 572112505 /nfs/dbraw/zinc/11/25/05/572112505.db2.gz WSHKIBHWTGDMPU-CLTSEGBLSA-N -1 3 715.675 4.186 50 0 KIAAHM COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1[O-] ZINC000263584783 572115328 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ZINC000263585811 572120397 /nfs/dbraw/zinc/12/03/97/572120397.db2.gz MWGVUAVMRMLDIN-QHCPKHFHSA-N -1 3 567.635 4.412 50 0 KIAAHM Cc1cc(=NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)n([C@H]2CCS(=O)(=O)C2)[n-]1 ZINC000334159135 572154011 /nfs/dbraw/zinc/15/40/11/572154011.db2.gz BWKOEJAZCLNJOI-PBAYUXNISA-N -1 3 589.843 4.318 50 0 KIAAHM Cc1cc(=NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)n([C@@H]2CCS(=O)(=O)C2)[n-]1 ZINC000334159136 572153725 /nfs/dbraw/zinc/15/37/25/572153725.db2.gz BWKOEJAZCLNJOI-RZVZOMPRSA-N -1 3 589.843 4.318 50 0 KIAAHM