smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(-c2noc(CN(C)C(=O)c3ccc(CSc4ccccc4)cc3)n2)c1 ZINC000218003428 557175414 /nfs/dbraw/zinc/17/54/14/557175414.db2.gz MMEQFEXZAIWTAZ-UHFFFAOYSA-N 0 0 445.544 5.310 40 70 IKIBRN CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(CSc2ccccc2)cc1 ZINC000218003762 557175429 /nfs/dbraw/zinc/17/54/29/557175429.db2.gz IPPUNUSIUJZOLN-UHFFFAOYSA-N 0 0 435.574 5.753 40 70 IKIBRN O=C(NCCCc1ccccc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000218004852 557175447 /nfs/dbraw/zinc/17/54/47/557175447.db2.gz VZALGQFBXDYLOK-UHFFFAOYSA-N 0 0 430.400 6.648 40 70 IKIBRN CC(C)Oc1cccc(CNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 ZINC000218004552 557175464 /nfs/dbraw/zinc/17/54/64/557175464.db2.gz IABQTQHBMQTVOE-UHFFFAOYSA-N 0 0 425.981 6.350 40 70 IKIBRN Cc1ccc([C@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1C ZINC000218093702 557177280 /nfs/dbraw/zinc/17/72/80/557177280.db2.gz UQONQBYFEIOAJE-CCLHPLFOSA-N 0 0 444.600 5.569 40 70 IKIBRN CC(C)Oc1cccc(CCCNC(=O)CSCc2c(Cl)cccc2Cl)c1 ZINC000218154091 557180378 /nfs/dbraw/zinc/18/03/78/557180378.db2.gz AIAAYLBJXAJDEC-UHFFFAOYSA-N 0 0 426.409 5.763 40 70 IKIBRN O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)c1ccccc1 ZINC000218153987 557180418 /nfs/dbraw/zinc/18/04/18/557180418.db2.gz LQLWWBFEAWERMB-UHFFFAOYSA-N 0 0 430.356 6.096 40 70 IKIBRN Cc1ccc(-c2noc(CN(C)C(=O)CSCc3c(Cl)cccc3Cl)n2)cc1 ZINC000218157576 557180708 /nfs/dbraw/zinc/18/07/08/557180708.db2.gz UUUHNTAMFGGAPJ-UHFFFAOYSA-N 0 0 436.364 5.244 40 70 IKIBRN Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc(Br)cc1)CC(C)(C)O2 ZINC000218197538 557181387 /nfs/dbraw/zinc/18/13/87/557181387.db2.gz VXBZPIAYADNLOT-SFHVURJKSA-N 0 0 434.399 5.409 40 70 IKIBRN CCCOc1ccccc1CCCNC(=O)CSCc1ccc(Br)cc1 ZINC000218196918 557181501 /nfs/dbraw/zinc/18/15/01/557181501.db2.gz RWSTZMUPMZGXDD-UHFFFAOYSA-N 0 0 436.415 5.220 40 70 IKIBRN CC(C)Oc1cccc(CCCNC(=O)CSCc2ccc(Br)cc2)c1 ZINC000218196190 557181578 /nfs/dbraw/zinc/18/15/78/557181578.db2.gz BDCZKQZTDCMGDL-UHFFFAOYSA-N 0 0 436.415 5.219 40 70 IKIBRN CCCOc1ccccc1CCCNC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000218209111 557182017 /nfs/dbraw/zinc/18/20/17/557182017.db2.gz ZTEFXGODTPIWDC-UHFFFAOYSA-N 0 0 433.617 6.439 40 70 IKIBRN Cc1ccc(SCc2ccc(C(=O)N[C@H]3CC(C)(C)Oc4cc(C)ccc43)cc2)cc1 ZINC000218209979 557182136 /nfs/dbraw/zinc/18/21/36/557182136.db2.gz WBZLVXMMYJKONE-DEOSSOPVSA-N 0 0 431.601 6.628 40 70 IKIBRN COc1cc(CNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)ccc1OC(C)C ZINC000218207042 557182152 /nfs/dbraw/zinc/18/21/52/557182152.db2.gz PDDYZMZOQKYFFR-UHFFFAOYSA-N 0 0 435.589 6.013 40 70 IKIBRN Cc1c(Cl)cccc1N(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccccc1 ZINC000218224850 557183126 /nfs/dbraw/zinc/18/31/26/557183126.db2.gz HQFMIDKPAOOJMZ-UHFFFAOYSA-N 0 0 449.016 5.073 40 70 IKIBRN CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(C)cc1C ZINC000218304605 557191333 /nfs/dbraw/zinc/19/13/33/557191333.db2.gz CAKQKGRCLDKJSH-XMMPIXPASA-N 0 0 436.577 5.010 40 70 IKIBRN CC[C@@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccc(C)c(C)c1 ZINC000218348490 557194155 /nfs/dbraw/zinc/19/41/55/557194155.db2.gz OWPQXAJLZMMUSZ-HSZRJFAPSA-N 0 0 436.577 5.010 40 70 IKIBRN CC[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(C)c(C)c1 ZINC000218424376 557198581 /nfs/dbraw/zinc/19/85/81/557198581.db2.gz KXPHBMPILXBZEC-BVAGGSTKSA-N 0 0 448.588 5.552 40 70 IKIBRN Cc1ccc([C@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1C ZINC000218424092 557198601 /nfs/dbraw/zinc/19/86/01/557198601.db2.gz UIUVYVMVKWOEPY-BVZFJXPGSA-N 0 0 434.561 5.162 40 70 IKIBRN CC[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(C)cc1C ZINC000218424967 557198605 /nfs/dbraw/zinc/19/86/05/557198605.db2.gz CTZBPZGIBNWVDD-JYFHCDHNSA-N 0 0 448.588 5.552 40 70 IKIBRN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c1 ZINC000218422561 557198625 /nfs/dbraw/zinc/19/86/25/557198625.db2.gz WTHTUDXXRXBUNP-IQGLISFBSA-N 0 0 434.561 5.162 40 70 IKIBRN Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000218527840 557206091 /nfs/dbraw/zinc/20/60/91/557206091.db2.gz UDQGZKBIQXMIEH-SFHVURJKSA-N 0 0 449.016 5.013 40 70 IKIBRN Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1C ZINC000218528006 557206145 /nfs/dbraw/zinc/20/61/45/557206145.db2.gz VRICXJSLERPTFS-SFHVURJKSA-N 0 0 449.016 5.013 40 70 IKIBRN CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(C)cc1C ZINC000218526731 557206179 /nfs/dbraw/zinc/20/61/79/557206179.db2.gz RYZZNDBOPTWMMH-NRFANRHFSA-N 0 0 449.016 5.013 40 70 IKIBRN Cc1c(Cl)cccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000218527005 557206183 /nfs/dbraw/zinc/20/61/83/557206183.db2.gz ZTIWUFMTAYDAEW-UHFFFAOYSA-N 0 0 441.380 5.119 40 70 IKIBRN Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1Cl ZINC000218527068 557206212 /nfs/dbraw/zinc/20/62/12/557206212.db2.gz YXENHWPZLSBCDF-UHFFFAOYSA-N 0 0 441.380 5.119 40 70 IKIBRN CC(C)(C)c1ccc(CCC(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000218543171 557206336 /nfs/dbraw/zinc/20/63/36/557206336.db2.gz OHTDHVCKEGGCMK-UHFFFAOYSA-N 0 0 442.357 5.046 40 70 IKIBRN CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C)c1ccc(C)c(C)c1 ZINC000218584978 557208554 /nfs/dbraw/zinc/20/85/54/557208554.db2.gz ZOWBKVPRUXBCPV-QHCPKHFHSA-N 0 0 436.577 5.294 40 70 IKIBRN CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C)c1ccc(C)cc1C ZINC000218585075 557208652 /nfs/dbraw/zinc/20/86/52/557208652.db2.gz COEKIANPCNTHEV-HSZRJFAPSA-N 0 0 436.577 5.294 40 70 IKIBRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3cc(C)ccc3C)c2C)cc1 ZINC000218585445 557208701 /nfs/dbraw/zinc/20/87/01/557208701.db2.gz CJKNIAMMEHPXBN-FQEVSTJZSA-N 0 0 436.577 5.212 40 70 IKIBRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)ccc2C)cc1 ZINC000218593836 557209359 /nfs/dbraw/zinc/20/93/59/557209359.db2.gz ATKGHHXTVFLBIZ-FQEVSTJZSA-N 0 0 436.577 5.212 40 70 IKIBRN Cc1ccc(C)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c1 ZINC000218637405 557211674 /nfs/dbraw/zinc/21/16/74/557211674.db2.gz LUMKYKPVGZHLAG-GOSISDBHSA-N 0 0 449.016 5.013 40 70 IKIBRN CC[C@H](NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(C)c(C)c1 ZINC000218653255 557212855 /nfs/dbraw/zinc/21/28/55/557212855.db2.gz XXNUCQFTXPLFOQ-NRFANRHFSA-N 0 0 436.577 5.013 40 70 IKIBRN Cc1cc(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc(C)c1Cl ZINC000218718678 557213658 /nfs/dbraw/zinc/21/36/58/557213658.db2.gz IJARHVGQFFPDCK-CQSZACIVSA-N 0 0 434.323 5.086 40 70 IKIBRN CC[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218002216 557175440 /nfs/dbraw/zinc/17/54/40/557175440.db2.gz IIZQTUJAOKFWJT-QHCPKHFHSA-N 0 0 439.602 5.264 40 70 IKIBRN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000218006530 557175677 /nfs/dbraw/zinc/17/56/77/557175677.db2.gz PKAMOABIUNEFJY-GOSISDBHSA-N 0 0 425.981 6.138 40 70 IKIBRN Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000218006338 557175774 /nfs/dbraw/zinc/17/57/74/557175774.db2.gz MLJZYWAYBIZWLY-GOSISDBHSA-N 0 0 425.981 6.138 40 70 IKIBRN Cc1ccc(C)c([C@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000218092649 557176817 /nfs/dbraw/zinc/17/68/17/557176817.db2.gz DJEMFCFYBQFVBY-DCFHFQCYSA-N 0 0 444.600 5.569 40 70 IKIBRN COc1ccc2c(c1)[C@H](NC(=O)CSCc1c(Cl)cccc1Cl)CC(C)(C)O2 ZINC000218155782 557180365 /nfs/dbraw/zinc/18/03/65/557180365.db2.gz XSGFQYVWUQQDOG-GOSISDBHSA-N 0 0 440.392 5.654 40 70 IKIBRN O=C(CSCc1c(Cl)cccc1Cl)NCc1nc(-c2ccccc2Cl)no1 ZINC000218157147 557180900 /nfs/dbraw/zinc/18/09/00/557180900.db2.gz AUKPZUJIWRQLFL-UHFFFAOYSA-N 0 0 442.755 5.246 40 70 IKIBRN CC(C)Oc1ccc(CCCNC(=O)CSCc2ccc(Br)cc2)cc1 ZINC000218196269 557181411 /nfs/dbraw/zinc/18/14/11/557181411.db2.gz ZNNWQNGQQIYGMY-UHFFFAOYSA-N 0 0 436.415 5.219 40 70 IKIBRN COc1ccc2c(c1)[C@H](NC(=O)c1ccc(CSc3ccc(C)cc3)cc1)CC(C)(C)O2 ZINC000218210172 557182124 /nfs/dbraw/zinc/18/21/24/557182124.db2.gz PQDLTAYKEBDGRX-XMMPIXPASA-N 0 0 447.600 6.328 40 70 IKIBRN Cc1ccc(SCc2ccc(C(=O)N(C)Cc3nc(-c4ccccc4)no3)cc2)cc1 ZINC000218211809 557182544 /nfs/dbraw/zinc/18/25/44/557182544.db2.gz FAOJSWPHGKQYOA-UHFFFAOYSA-N 0 0 429.545 5.610 40 70 IKIBRN CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000218312988 557192497 /nfs/dbraw/zinc/19/24/97/557192497.db2.gz LJLPVLTWHWOXRB-UHFFFAOYSA-N 0 0 449.359 5.212 40 70 IKIBRN Cc1ccc([C@@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1C ZINC000218424165 557198570 /nfs/dbraw/zinc/19/85/70/557198570.db2.gz UIUVYVMVKWOEPY-IQGLISFBSA-N 0 0 434.561 5.162 40 70 IKIBRN CC(C)Oc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000218422028 557198588 /nfs/dbraw/zinc/19/85/88/557198588.db2.gz BVLGXNBQZGZCMT-DEOSSOPVSA-N 0 0 436.533 5.093 40 70 IKIBRN Cc1ccc(C)c([C@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c1 ZINC000218422482 557198635 /nfs/dbraw/zinc/19/86/35/557198635.db2.gz WTHTUDXXRXBUNP-BVZFJXPGSA-N 0 0 434.561 5.162 40 70 IKIBRN Cc1ccc(C)c([C@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c1 ZINC000218422640 557198642 /nfs/dbraw/zinc/19/86/42/557198642.db2.gz WTHTUDXXRXBUNP-AVRWGWEMSA-N 0 0 434.561 5.162 40 70 IKIBRN O=C(c1cc2c(ccc3ccccc23)o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000218494829 557203224 /nfs/dbraw/zinc/20/32/24/557203224.db2.gz IMAXZRBZYBQUIL-UHFFFAOYSA-N 0 0 446.550 6.133 40 70 IKIBRN CCCCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000218516549 557204967 /nfs/dbraw/zinc/20/49/67/557204967.db2.gz QUABPNNEGSJMEJ-UHFFFAOYSA-N 0 0 428.598 5.155 40 70 IKIBRN CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(C)c(C)c1 ZINC000218526539 557205847 /nfs/dbraw/zinc/20/58/47/557205847.db2.gz MSEWGVJOXGIESN-NRFANRHFSA-N 0 0 449.016 5.013 40 70 IKIBRN Cc1cc(Cl)ccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000218526847 557206122 /nfs/dbraw/zinc/20/61/22/557206122.db2.gz BXFJGIGLICJKSA-UHFFFAOYSA-N 0 0 441.380 5.119 40 70 IKIBRN Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1C ZINC000218527927 557206193 /nfs/dbraw/zinc/20/61/93/557206193.db2.gz VRICXJSLERPTFS-GOSISDBHSA-N 0 0 449.016 5.013 40 70 IKIBRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)c2C)cc1 ZINC000218585932 557208574 /nfs/dbraw/zinc/20/85/74/557208574.db2.gz CCAXGJYTQSHMEQ-FQEVSTJZSA-N 0 0 436.577 5.212 40 70 IKIBRN CC[C@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)c1ccc(C)c(C)c1 ZINC000218592861 557208901 /nfs/dbraw/zinc/20/89/01/557208901.db2.gz SNOOAYWKGISGRS-QHCPKHFHSA-N 0 0 436.577 5.294 40 70 IKIBRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccc(C)cc1C ZINC000218636783 557211667 /nfs/dbraw/zinc/21/16/67/557211667.db2.gz CUOVOOHBSPGNDA-QFIPXVFZSA-N 0 0 449.016 5.013 40 70 IKIBRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccc(C)c(C)c1 ZINC000218636535 557211771 /nfs/dbraw/zinc/21/17/71/557211771.db2.gz IBCRSBFTUPVCRS-JOCHJYFZSA-N 0 0 449.016 5.013 40 70 IKIBRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000218671784 557212857 /nfs/dbraw/zinc/21/28/57/557212857.db2.gz WUWYYXUCQWYYAE-OAHLLOKOSA-N 0 0 427.932 5.113 40 70 IKIBRN CC[C@@H](NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(C)cc1C ZINC000218653364 557212871 /nfs/dbraw/zinc/21/28/71/557212871.db2.gz RATGPYWXUDELSW-OAQYLSRUSA-N 0 0 436.577 5.013 40 70 IKIBRN CCCOc1ccc(Br)cc1CNc1ccc(Br)c(Cl)c1 ZINC000218005540 569180034 /nfs/dbraw/zinc/18/00/34/569180034.db2.gz BMBDSPWXENILDH-UHFFFAOYSA-N 0 0 433.571 6.266 40 70 IKIBRN C[C@@]12C[C@H]3C[C@@H](C1)C[C@](C(=O)N1CCC(C(O)(c4ccccc4)c4ccccc4)CC1)(C3)C2 ZINC000217397990 557168944 /nfs/dbraw/zinc/16/89/44/557168944.db2.gz WALOZKVZBRZLRW-URMAFPALSA-N 0 0 443.631 5.768 40 70 IKIBRN COc1ccc(OC[C@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000218005579 557175473 /nfs/dbraw/zinc/17/54/73/557175473.db2.gz NOKMBWKNEPSJAD-KRWDZBQOSA-N 0 0 441.980 5.838 40 70 IKIBRN Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(CSc4ccccc4)cc3)n2)c1 ZINC000218003234 557175478 /nfs/dbraw/zinc/17/54/78/557175478.db2.gz YWMYICXRWNEYOK-UHFFFAOYSA-N 0 0 429.545 5.610 40 70 IKIBRN Cc1ccc(OC[C@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000218006614 557175725 /nfs/dbraw/zinc/17/57/25/557175725.db2.gz PKAMOABIUNEFJY-SFHVURJKSA-N 0 0 425.981 6.138 40 70 IKIBRN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000218092727 557176754 /nfs/dbraw/zinc/17/67/54/557176754.db2.gz DJEMFCFYBQFVBY-NFQMXDRXSA-N 0 0 444.600 5.569 40 70 IKIBRN O=C(/C(=C/c1ccco1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000218100926 557177199 /nfs/dbraw/zinc/17/71/99/557177199.db2.gz PMUNHDQYYOLRJI-WEMUOSSPSA-N 0 0 448.566 5.754 40 70 IKIBRN COc1ccc2c(c1)[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)CC(C)(C)O2 ZINC000218155706 557180325 /nfs/dbraw/zinc/18/03/25/557180325.db2.gz XSGFQYVWUQQDOG-SFHVURJKSA-N 0 0 440.392 5.654 40 70 IKIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1c(Cl)cccc1Cl ZINC000218155894 557180413 /nfs/dbraw/zinc/18/04/13/557180413.db2.gz DMAOFIFCYKAUMS-SFHVURJKSA-N 0 0 440.392 5.654 40 70 IKIBRN CCN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1c(Cl)cccc1Cl ZINC000218157784 557180749 /nfs/dbraw/zinc/18/07/49/557180749.db2.gz DTFXZYRLTAHZLI-UHFFFAOYSA-N 0 0 442.393 5.387 40 70 IKIBRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccc(Br)cc1 ZINC000218197816 557181453 /nfs/dbraw/zinc/18/14/53/557181453.db2.gz SUPKYXISOPWZAC-GOSISDBHSA-N 0 0 434.399 5.409 40 70 IKIBRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CSCc1c(F)cccc1Cl ZINC000218205914 557181716 /nfs/dbraw/zinc/18/17/16/557181716.db2.gz NWDBGNSUZJRNKW-UHFFFAOYSA-N 0 0 440.327 5.074 40 70 IKIBRN CC[C@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccc(OC)c(OC)c1 ZINC000218211023 557182105 /nfs/dbraw/zinc/18/21/05/557182105.db2.gz YDTQPEJJHQIZMF-QHCPKHFHSA-N 0 0 435.589 6.186 40 70 IKIBRN Cc1ccc(SCc2ccc(C(=O)NCc3nc(-c4ccc(C)cc4)no3)cc2)cc1 ZINC000218211382 557182119 /nfs/dbraw/zinc/18/21/19/557182119.db2.gz FALYXMIYYYDRBY-UHFFFAOYSA-N 0 0 429.545 5.576 40 70 IKIBRN COc1cccc(-c2noc(CNC(=O)c3ccc(CSc4ccc(C)cc4)cc3)n2)c1 ZINC000218211497 557182130 /nfs/dbraw/zinc/18/21/30/557182130.db2.gz WIEVLOOADVGBLR-UHFFFAOYSA-N 0 0 445.544 5.276 40 70 IKIBRN COc1ccc(CCCNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1OC ZINC000218209217 557182213 /nfs/dbraw/zinc/18/22/13/557182213.db2.gz YOMLWAXWRXQMKA-UHFFFAOYSA-N 0 0 435.589 5.667 40 70 IKIBRN Cc1ccc(SCc2ccc(C(=O)N(C)Cc3nc(-c4cccc(C)c4)no3)cc2)cc1 ZINC000218211910 557182527 /nfs/dbraw/zinc/18/25/27/557182527.db2.gz FTXRHALOVAZTFI-UHFFFAOYSA-N 0 0 443.572 5.918 40 70 IKIBRN CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(C)cc1C ZINC000218304630 557191278 /nfs/dbraw/zinc/19/12/78/557191278.db2.gz CAKQKGRCLDKJSH-DEOSSOPVSA-N 0 0 436.577 5.010 40 70 IKIBRN CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(C)cc1C ZINC000218409348 557197579 /nfs/dbraw/zinc/19/75/79/557197579.db2.gz DWCBVDOIOXOZJV-DEOSSOPVSA-N 0 0 436.577 5.294 40 70 IKIBRN CC[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(C)cc1C ZINC000218424892 557198562 /nfs/dbraw/zinc/19/85/62/557198562.db2.gz CTZBPZGIBNWVDD-ZEQKJWHPSA-N 0 0 448.588 5.552 40 70 IKIBRN Cc1ccc([C@@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1C ZINC000218424018 557198674 /nfs/dbraw/zinc/19/86/74/557198674.db2.gz UIUVYVMVKWOEPY-CJAUYULYSA-N 0 0 434.561 5.162 40 70 IKIBRN CCCCc1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000218490863 557203262 /nfs/dbraw/zinc/20/32/62/557203262.db2.gz QWOJTHHFGVBUHF-AWEZNQCLSA-N 0 0 443.396 5.129 40 70 IKIBRN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000218490669 557203332 /nfs/dbraw/zinc/20/33/32/557203332.db2.gz ZKGNCHBVWFCLDQ-AWEZNQCLSA-N 0 0 443.396 5.218 40 70 IKIBRN CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(C)cc1C ZINC000218519065 557205179 /nfs/dbraw/zinc/20/51/79/557205179.db2.gz NTBLGTJISTYHQX-QHCPKHFHSA-N 0 0 442.625 5.058 40 70 IKIBRN CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(C)c(C)c1 ZINC000218526453 557205751 /nfs/dbraw/zinc/20/57/51/557205751.db2.gz MSEWGVJOXGIESN-OAQYLSRUSA-N 0 0 449.016 5.013 40 70 IKIBRN Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000218526917 557206127 /nfs/dbraw/zinc/20/61/27/557206127.db2.gz YGCRZRFKZXIQAO-UHFFFAOYSA-N 0 0 441.380 5.119 40 70 IKIBRN CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C)c1ccc(C)c(C)c1 ZINC000218584937 557208614 /nfs/dbraw/zinc/20/86/14/557208614.db2.gz ZOWBKVPRUXBCPV-HSZRJFAPSA-N 0 0 436.577 5.294 40 70 IKIBRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)c2C)cc1 ZINC000218586007 557209019 /nfs/dbraw/zinc/20/90/19/557209019.db2.gz CCAXGJYTQSHMEQ-HXUWFJFHSA-N 0 0 436.577 5.212 40 70 IKIBRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@H](C)c3cc(C)ccc3C)ccc2C)cc1 ZINC000218593449 557209287 /nfs/dbraw/zinc/20/92/87/557209287.db2.gz LMEVYKYTAQYLLR-HXUWFJFHSA-N 0 0 436.577 5.212 40 70 IKIBRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)cc2C)cc1 ZINC000218604020 557209617 /nfs/dbraw/zinc/20/96/17/557209617.db2.gz FBCGVAGLHMIGMD-HXUWFJFHSA-N 0 0 436.577 5.212 40 70 IKIBRN COc1ccc2c(c1)[C@H](NC(=O)c1ccccc1SCc1ccccc1)CC(C)(C)O2 ZINC000218607956 557209943 /nfs/dbraw/zinc/20/99/43/557209943.db2.gz LDELRPGWCYBPPX-JOCHJYFZSA-N 0 0 433.573 6.020 40 70 IKIBRN CC[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218609064 557210003 /nfs/dbraw/zinc/21/00/03/557210003.db2.gz FEPSULXZDJCVIK-QFIPXVFZSA-N 0 0 439.602 5.264 40 70 IKIBRN Cc1cccc(-c2noc(CN(C)C(=O)c3ccccc3SCc3ccccc3)n2)c1 ZINC000218609509 557210046 /nfs/dbraw/zinc/21/00/46/557210046.db2.gz LCTZWTJWYMAPOT-UHFFFAOYSA-N 0 0 429.545 5.610 40 70 IKIBRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C)c1ccc(C)c(C)c1 ZINC000218631269 557211070 /nfs/dbraw/zinc/21/10/70/557211070.db2.gz GKYAVPXILWQWAK-XMMPIXPASA-N 0 0 442.625 5.058 40 70 IKIBRN Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1C ZINC000218637638 557211707 /nfs/dbraw/zinc/21/17/07/557211707.db2.gz BCTPINBESLMVEU-SFHVURJKSA-N 0 0 449.016 5.013 40 70 IKIBRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccc(C)cc1C ZINC000218636701 557211752 /nfs/dbraw/zinc/21/17/52/557211752.db2.gz CUOVOOHBSPGNDA-JOCHJYFZSA-N 0 0 449.016 5.013 40 70 IKIBRN CC[C@H](NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(C)cc1C ZINC000218653440 557212949 /nfs/dbraw/zinc/21/29/49/557212949.db2.gz RATGPYWXUDELSW-NRFANRHFSA-N 0 0 436.577 5.013 40 70 IKIBRN Cc1cc(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc(C)c1Cl ZINC000218718489 557213656 /nfs/dbraw/zinc/21/36/56/557213656.db2.gz XKYANGUUXGVTOP-CQSZACIVSA-N 0 0 434.323 5.086 40 70 IKIBRN O=C(NCCCc1ccc(Cl)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000218004959 557175388 /nfs/dbraw/zinc/17/53/88/557175388.db2.gz QGJYJCDWWDDAGK-UHFFFAOYSA-N 0 0 430.400 6.648 40 70 IKIBRN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(CSc2ccccc2)cc1 ZINC000218003011 557175469 /nfs/dbraw/zinc/17/54/69/557175469.db2.gz KJFAYGSUMXQAOD-UHFFFAOYSA-N 0 0 435.936 5.612 40 70 IKIBRN COc1ccc(OC[C@@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000218005499 557175480 /nfs/dbraw/zinc/17/54/80/557175480.db2.gz NOKMBWKNEPSJAD-QGZVFWFLSA-N 0 0 441.980 5.838 40 70 IKIBRN COc1ccc(CCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000218005383 557175483 /nfs/dbraw/zinc/17/54/83/557175483.db2.gz LPMTUAXHGDMAIU-UHFFFAOYSA-N 0 0 425.981 6.004 40 70 IKIBRN O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc(CSc2ccccc2)cc1 ZINC000218002892 557175490 /nfs/dbraw/zinc/17/54/90/557175490.db2.gz QTKIDEKLSJFMJM-UHFFFAOYSA-N 0 0 435.936 5.612 40 70 IKIBRN CCOc1ccc(CCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000218006212 557175818 /nfs/dbraw/zinc/17/58/18/557175818.db2.gz DTAAOGDEJYJAOA-UHFFFAOYSA-N 0 0 440.008 6.394 40 70 IKIBRN Cc1ccc([C@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1C ZINC000218093535 557176796 /nfs/dbraw/zinc/17/67/96/557176796.db2.gz UQONQBYFEIOAJE-DCFHFQCYSA-N 0 0 444.600 5.569 40 70 IKIBRN O=C(NCCSCc1c(Cl)cccc1Cl)/C(=C/c1ccco1)c1ccccc1 ZINC000218099774 557177079 /nfs/dbraw/zinc/17/70/79/557177079.db2.gz DTVAZLAQNPJLPB-NBVRZTHBSA-N 0 0 432.372 6.177 40 70 IKIBRN O=C(CSCc1ccc(Br)cc1)Nc1ccccc1C(=O)c1ccccc1 ZINC000218196088 557181395 /nfs/dbraw/zinc/18/13/95/557181395.db2.gz HJBRQLLMWSCXNN-UHFFFAOYSA-N 0 0 440.362 5.552 40 70 IKIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000218210289 557182145 /nfs/dbraw/zinc/18/21/45/557182145.db2.gz GZPJVWKMZCDEIW-DEOSSOPVSA-N 0 0 447.600 6.328 40 70 IKIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000218210350 557182165 /nfs/dbraw/zinc/18/21/65/557182165.db2.gz GZPJVWKMZCDEIW-XMMPIXPASA-N 0 0 447.600 6.328 40 70 IKIBRN Cc1ccc(SCc2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4cc(C)ccc43)cc2)cc1 ZINC000218209877 557182198 /nfs/dbraw/zinc/18/21/98/557182198.db2.gz WBZLVXMMYJKONE-XMMPIXPASA-N 0 0 431.601 6.628 40 70 IKIBRN CC[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(C)cc1C ZINC000218424728 557198669 /nfs/dbraw/zinc/19/86/69/557198669.db2.gz CTZBPZGIBNWVDD-BVAGGSTKSA-N 0 0 448.588 5.552 40 70 IKIBRN CCCCc1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000218490785 557203220 /nfs/dbraw/zinc/20/32/20/557203220.db2.gz QWOJTHHFGVBUHF-CQSZACIVSA-N 0 0 443.396 5.129 40 70 IKIBRN Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000218516677 557204853 /nfs/dbraw/zinc/20/48/53/557204853.db2.gz IXSHVSDPRXJYBU-UHFFFAOYSA-N 0 0 441.380 5.119 40 70 IKIBRN CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccc(C)c(C)c1 ZINC000218576329 557208344 /nfs/dbraw/zinc/20/83/44/557208344.db2.gz LNJZNBGCVHWWGJ-DEOSSOPVSA-N 0 0 436.577 5.294 40 70 IKIBRN CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccc(C)cc1C ZINC000218576412 557208363 /nfs/dbraw/zinc/20/83/63/557208363.db2.gz VPCSMWAULRHNOM-XMMPIXPASA-N 0 0 436.577 5.294 40 70 IKIBRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)ccc2C)cc1 ZINC000218593902 557209239 /nfs/dbraw/zinc/20/92/39/557209239.db2.gz ATKGHHXTVFLBIZ-HXUWFJFHSA-N 0 0 436.577 5.212 40 70 IKIBRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@@H](C)c3cc(C)ccc3C)ccc2C)cc1 ZINC000218593365 557209352 /nfs/dbraw/zinc/20/93/52/557209352.db2.gz LMEVYKYTAQYLLR-FQEVSTJZSA-N 0 0 436.577 5.212 40 70 IKIBRN CC[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218608990 557209981 /nfs/dbraw/zinc/20/99/81/557209981.db2.gz FEPSULXZDJCVIK-JOCHJYFZSA-N 0 0 439.602 5.264 40 70 IKIBRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C)c1ccc(C)cc1C ZINC000218631425 557211384 /nfs/dbraw/zinc/21/13/84/557211384.db2.gz HXXXGXRUXAWHNS-XMMPIXPASA-N 0 0 442.625 5.058 40 70 IKIBRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C)c1ccc(C)cc1C ZINC000218631504 557211404 /nfs/dbraw/zinc/21/14/04/557211404.db2.gz HXXXGXRUXAWHNS-DEOSSOPVSA-N 0 0 442.625 5.058 40 70 IKIBRN Cc1cc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc(C)c1Cl ZINC000218718595 557213648 /nfs/dbraw/zinc/21/36/48/557213648.db2.gz IJARHVGQFFPDCK-AWEZNQCLSA-N 0 0 434.323 5.086 40 70 IKIBRN COc1cc(CNc2ccc(Br)c(Cl)c2)cc(Br)c1OC ZINC000218011731 569179976 /nfs/dbraw/zinc/17/99/76/569179976.db2.gz JCZPLFLIFPXBHZ-UHFFFAOYSA-N 0 0 435.543 5.494 40 70 IKIBRN Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(CSc4ccccc4)cc3)n2)cc1 ZINC000218003332 557175450 /nfs/dbraw/zinc/17/54/50/557175450.db2.gz PUQXFSRBMYQWHZ-UHFFFAOYSA-N 0 0 429.545 5.610 40 70 IKIBRN CC1(C)C[C@H](NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c2ccccc2O1 ZINC000218006101 557175783 /nfs/dbraw/zinc/17/57/83/557175783.db2.gz BBHFAUGRATZHRY-QFIPXVFZSA-N 0 0 437.992 6.665 40 70 IKIBRN Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000218006418 557175795 /nfs/dbraw/zinc/17/57/95/557175795.db2.gz MLJZYWAYBIZWLY-SFHVURJKSA-N 0 0 425.981 6.138 40 70 IKIBRN Cc1ccc([C@@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1C ZINC000218093469 557176729 /nfs/dbraw/zinc/17/67/29/557176729.db2.gz UQONQBYFEIOAJE-HRFSGMKKSA-N 0 0 444.600 5.569 40 70 IKIBRN O=C(NCCSCc1ccc(Cl)c(Cl)c1)/C(=C/c1ccco1)c1ccccc1 ZINC000218098992 557177191 /nfs/dbraw/zinc/17/71/91/557177191.db2.gz MZLIENPFWQOIIC-XMHGGMMESA-N 0 0 432.372 6.177 40 70 IKIBRN CC[C@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(OC)c(OC)c1 ZINC000218156641 557180331 /nfs/dbraw/zinc/18/03/31/557180331.db2.gz SKIBMMSFAUOLLQ-KRWDZBQOSA-N 0 0 428.381 5.511 40 70 IKIBRN COc1cc(CNC(=O)CSCc2c(Cl)cccc2Cl)ccc1OC(C)C ZINC000218152953 557180347 /nfs/dbraw/zinc/18/03/47/557180347.db2.gz JUYVGFLKTGJOLY-UHFFFAOYSA-N 0 0 428.381 5.339 40 70 IKIBRN O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccc(-c2ccccc2)cc1 ZINC000218166803 557180730 /nfs/dbraw/zinc/18/07/30/557180730.db2.gz IFABALHYXOKRMR-UHFFFAOYSA-N 0 0 434.293 5.096 40 70 IKIBRN CC[C@@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccc(OC)c(OC)c1 ZINC000218210941 557181999 /nfs/dbraw/zinc/18/19/99/557181999.db2.gz YDTQPEJJHQIZMF-HSZRJFAPSA-N 0 0 435.589 6.186 40 70 IKIBRN CCOc1ccc(CNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1OCC ZINC000218206941 557182099 /nfs/dbraw/zinc/18/20/99/557182099.db2.gz CMLUXXCMGMFBQB-UHFFFAOYSA-N 0 0 435.589 6.015 40 70 IKIBRN Cc1ccc(SCc2ccc(C(=O)NCCCc3ccc(OC(C)C)cc3)cc2)cc1 ZINC000218208418 557182158 /nfs/dbraw/zinc/18/21/58/557182158.db2.gz OPRAEOVMRKJYGG-UHFFFAOYSA-N 0 0 433.617 6.437 40 70 IKIBRN Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3C(=O)c3ccccc3)cc2)cc1 ZINC000218208201 557182209 /nfs/dbraw/zinc/18/22/09/557182209.db2.gz WHDRPGKTEKQPRJ-UHFFFAOYSA-N 0 0 437.564 6.771 40 70 IKIBRN CC(C)c1ccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000218224557 557183086 /nfs/dbraw/zinc/18/30/86/557183086.db2.gz CZUNGCDFMXZLDT-UHFFFAOYSA-N 0 0 442.625 5.234 40 70 IKIBRN CC[C@@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccc(C)cc1C ZINC000218348689 557194157 /nfs/dbraw/zinc/19/41/57/557194157.db2.gz QTAXYXRDEDNKER-HSZRJFAPSA-N 0 0 436.577 5.010 40 70 IKIBRN CC[C@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccc(C)cc1C ZINC000218348761 557194166 /nfs/dbraw/zinc/19/41/66/557194166.db2.gz QTAXYXRDEDNKER-QHCPKHFHSA-N 0 0 436.577 5.010 40 70 IKIBRN Cc1ccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000218388335 557197195 /nfs/dbraw/zinc/19/71/95/557197195.db2.gz UYCJFUDMSNREMS-UHFFFAOYSA-N 0 0 449.016 5.073 40 70 IKIBRN CC[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(C)cc1C ZINC000218424814 557198598 /nfs/dbraw/zinc/19/85/98/557198598.db2.gz CTZBPZGIBNWVDD-OZXSUGGESA-N 0 0 448.588 5.552 40 70 IKIBRN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000218490590 557203278 /nfs/dbraw/zinc/20/32/78/557203278.db2.gz ZKGNCHBVWFCLDQ-CQSZACIVSA-N 0 0 443.396 5.218 40 70 IKIBRN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000218527768 557206088 /nfs/dbraw/zinc/20/60/88/557206088.db2.gz UDQGZKBIQXMIEH-GOSISDBHSA-N 0 0 449.016 5.013 40 70 IKIBRN CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C)c1ccc(C)cc1C ZINC000218585147 557208669 /nfs/dbraw/zinc/20/86/69/557208669.db2.gz COEKIANPCNTHEV-QHCPKHFHSA-N 0 0 436.577 5.294 40 70 IKIBRN CC[C@@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)c1ccc(C)c(C)c1 ZINC000218592811 557208948 /nfs/dbraw/zinc/20/89/48/557208948.db2.gz SNOOAYWKGISGRS-HSZRJFAPSA-N 0 0 436.577 5.294 40 70 IKIBRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3cc(C)ccc3C)cc2C)cc1 ZINC000218603435 557209602 /nfs/dbraw/zinc/20/96/02/557209602.db2.gz XFHDIPBHEDWIIH-FQEVSTJZSA-N 0 0 436.577 5.212 40 70 IKIBRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1)c1ccc(C)c(C)c1 ZINC000218602872 557209635 /nfs/dbraw/zinc/20/96/35/557209635.db2.gz BKIOIMHNYCWAHV-HSZRJFAPSA-N 0 0 436.577 5.294 40 70 IKIBRN CC[C@@H](NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(C)c(C)c1 ZINC000218653178 557212866 /nfs/dbraw/zinc/21/28/66/557212866.db2.gz XXNUCQFTXPLFOQ-OAQYLSRUSA-N 0 0 436.577 5.013 40 70 IKIBRN O=C(Cc1cccc2ccccc21)Nc1cc2c3c(c1)[C@@H]1CCC[C@H]1CN3C[C@@H]1CCC[C@@H]21 ZINC000217402033 568882873 /nfs/dbraw/zinc/88/28/73/568882873.db2.gz JCMRXPLXUHWJKN-CNXCYTMISA-N 0 0 436.599 6.622 40 70 IKIBRN COc1ccc2c(c1)[C@H](NC(=O)c1ccc(CSc3ccccc3)cc1)CC(C)(C)O2 ZINC000218001037 557175421 /nfs/dbraw/zinc/17/54/21/557175421.db2.gz BXVOOHIRDYEMKQ-HSZRJFAPSA-N 0 0 433.573 6.020 40 70 IKIBRN O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000218005887 557175855 /nfs/dbraw/zinc/17/58/55/557175855.db2.gz FVXUJKRNEQWFPK-UHFFFAOYSA-N 0 0 437.992 7.206 40 70 IKIBRN Cc1ccc(C)c([C@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000218092801 557176813 /nfs/dbraw/zinc/17/68/13/557176813.db2.gz DJEMFCFYBQFVBY-CCLHPLFOSA-N 0 0 444.600 5.569 40 70 IKIBRN CC(C)Oc1ccc(CCCNC(=O)CSCc2c(Cl)cccc2Cl)cc1 ZINC000218154183 557180319 /nfs/dbraw/zinc/18/03/19/557180319.db2.gz WKTBORDQEQKGBE-UHFFFAOYSA-N 0 0 426.409 5.763 40 70 IKIBRN CCOc1ccc(CNC(=O)CSCc2c(Cl)cccc2Cl)cc1OCC ZINC000218152854 557180463 /nfs/dbraw/zinc/18/04/63/557180463.db2.gz YJRWJLKSXRZYTF-UHFFFAOYSA-N 0 0 428.381 5.340 40 70 IKIBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccc(Br)cc1 ZINC000218197738 557181535 /nfs/dbraw/zinc/18/15/35/557181535.db2.gz SUPKYXISOPWZAC-SFHVURJKSA-N 0 0 434.399 5.409 40 70 IKIBRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CSCc1c(F)cccc1Cl ZINC000218205803 557181836 /nfs/dbraw/zinc/18/18/36/557181836.db2.gz PJSSNWYMOHCVLS-UHFFFAOYSA-N 0 0 440.327 5.074 40 70 IKIBRN Cc1ccc(SCc2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccc(C)cc43)cc2)cc1 ZINC000218209693 557182008 /nfs/dbraw/zinc/18/20/08/557182008.db2.gz ONIWYJYCZKSGGA-XMMPIXPASA-N 0 0 431.601 6.628 40 70 IKIBRN Cc1ccc(SCc2ccc(C(=O)NCCCc3cccc(OC(C)C)c3)cc2)cc1 ZINC000218208311 557182034 /nfs/dbraw/zinc/18/20/34/557182034.db2.gz MNDGQGHBWBMFLK-UHFFFAOYSA-N 0 0 433.617 6.437 40 70 IKIBRN COc1cc(CNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc(OC)c1OC ZINC000218208715 557182047 /nfs/dbraw/zinc/18/20/47/557182047.db2.gz IMKGEDIHSIXMSS-UHFFFAOYSA-N 0 0 437.561 5.243 40 70 IKIBRN COc1ccc(-c2noc(CNC(=O)c3ccc(CSc4ccc(C)cc4)cc3)n2)cc1 ZINC000218211594 557182054 /nfs/dbraw/zinc/18/20/54/557182054.db2.gz NORWZVNQMLMIOW-UHFFFAOYSA-N 0 0 445.544 5.276 40 70 IKIBRN Cc1ccc(SCc2ccc(C(=O)N(C)Cc3nc(-c4ccc(C)cc4)no3)cc2)cc1 ZINC000218211999 557182448 /nfs/dbraw/zinc/18/24/48/557182448.db2.gz DWWFPXCMGJMNPW-UHFFFAOYSA-N 0 0 443.572 5.918 40 70 IKIBRN CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(C)c(C)c1 ZINC000218304478 557191291 /nfs/dbraw/zinc/19/12/91/557191291.db2.gz CKPPBFWQWHNDGT-XMMPIXPASA-N 0 0 436.577 5.010 40 70 IKIBRN CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(C)c(C)c1 ZINC000218409164 557197626 /nfs/dbraw/zinc/19/76/26/557197626.db2.gz JSMCRKKKMVIZIH-DEOSSOPVSA-N 0 0 436.577 5.294 40 70 IKIBRN CC(C)Oc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000218422093 557198595 /nfs/dbraw/zinc/19/85/95/557198595.db2.gz BVLGXNBQZGZCMT-XMMPIXPASA-N 0 0 436.533 5.093 40 70 IKIBRN O=C(NCc1nc(-c2cccc(Br)c2)no1)c1cc2c(ccc3ccccc23)o1 ZINC000218501444 557203610 /nfs/dbraw/zinc/20/36/10/557203610.db2.gz YBUGIMRSJMZQQX-UHFFFAOYSA-N 0 0 448.276 5.329 40 70 IKIBRN CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(C)c(C)c1 ZINC000218518905 557205185 /nfs/dbraw/zinc/20/51/85/557205185.db2.gz AJVAYUIMQKOFJP-QHCPKHFHSA-N 0 0 442.625 5.058 40 70 IKIBRN CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccc(C)c(C)c1 ZINC000218576257 557208178 /nfs/dbraw/zinc/20/81/78/557208178.db2.gz LNJZNBGCVHWWGJ-XMMPIXPASA-N 0 0 436.577 5.294 40 70 IKIBRN CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccc(C)cc1C ZINC000218576494 557208301 /nfs/dbraw/zinc/20/83/01/557208301.db2.gz VPCSMWAULRHNOM-DEOSSOPVSA-N 0 0 436.577 5.294 40 70 IKIBRN CC[C@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)c1ccc(C)cc1C ZINC000218593029 557209049 /nfs/dbraw/zinc/20/90/49/557209049.db2.gz WRSXRTRDROFPBH-QHCPKHFHSA-N 0 0 436.577 5.294 40 70 IKIBRN CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1)c1ccc(C)cc1C ZINC000218603113 557209530 /nfs/dbraw/zinc/20/95/30/557209530.db2.gz CKMBDHMUOFVLER-QHCPKHFHSA-N 0 0 436.577 5.294 40 70 IKIBRN CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1)c1ccc(C)c(C)c1 ZINC000218602949 557209584 /nfs/dbraw/zinc/20/95/84/557209584.db2.gz BKIOIMHNYCWAHV-QHCPKHFHSA-N 0 0 436.577 5.294 40 70 IKIBRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3cc(C)ccc3C)cc2C)cc1 ZINC000218603509 557209592 /nfs/dbraw/zinc/20/95/92/557209592.db2.gz XFHDIPBHEDWIIH-HXUWFJFHSA-N 0 0 436.577 5.212 40 70 IKIBRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)cc2C)cc1 ZINC000218603929 557209730 /nfs/dbraw/zinc/20/97/30/557209730.db2.gz FBCGVAGLHMIGMD-FQEVSTJZSA-N 0 0 436.577 5.212 40 70 IKIBRN CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1SCc1ccccc1 ZINC000218609846 557210040 /nfs/dbraw/zinc/21/00/40/557210040.db2.gz HUNCYOWNLQYYDI-UHFFFAOYSA-N 0 0 435.574 5.753 40 70 IKIBRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccc(C)c(C)c1 ZINC000218636604 557211731 /nfs/dbraw/zinc/21/17/31/557211731.db2.gz IBCRSBFTUPVCRS-QFIPXVFZSA-N 0 0 449.016 5.013 40 70 IKIBRN Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1C ZINC000218637561 557211746 /nfs/dbraw/zinc/21/17/46/557211746.db2.gz BCTPINBESLMVEU-GOSISDBHSA-N 0 0 449.016 5.013 40 70 IKIBRN Cc1ccc(C)c([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c1 ZINC000218637482 557211762 /nfs/dbraw/zinc/21/17/62/557211762.db2.gz LUMKYKPVGZHLAG-SFHVURJKSA-N 0 0 449.016 5.013 40 70 IKIBRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000218671678 557212862 /nfs/dbraw/zinc/21/28/62/557212862.db2.gz WUESBUVXOWKVLW-HNNXBMFYSA-N 0 0 427.932 5.113 40 70 IKIBRN COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000217358994 557536704 /nfs/dbraw/zinc/53/67/04/557536704.db2.gz GHEWKASBKJDWAQ-SNAWJCMRSA-N 0 0 433.085 5.591 40 70 IKIBRN Cc1cc(OCC(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c2cccc(C)c2n1 ZINC000217430619 569445631 /nfs/dbraw/zinc/44/56/31/569445631.db2.gz CRKIGJAFKJENML-UHFFFAOYSA-N 0 0 447.604 5.793 40 70 IKIBRN COc1cccc(CCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 ZINC000218005275 557175340 /nfs/dbraw/zinc/17/53/40/557175340.db2.gz NMTXPFYJCUDAOU-UHFFFAOYSA-N 0 0 425.981 6.004 40 70 IKIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000218001239 557175407 /nfs/dbraw/zinc/17/54/07/557175407.db2.gz ODENZKPEQDCDQF-HSZRJFAPSA-N 0 0 433.573 6.020 40 70 IKIBRN CC[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218002124 557175455 /nfs/dbraw/zinc/17/54/55/557175455.db2.gz IIZQTUJAOKFWJT-HSZRJFAPSA-N 0 0 439.602 5.264 40 70 IKIBRN COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CSc3ccccc3)cc1)CC(C)(C)O2 ZINC000218000946 557175459 /nfs/dbraw/zinc/17/54/59/557175459.db2.gz BXVOOHIRDYEMKQ-QHCPKHFHSA-N 0 0 433.573 6.020 40 70 IKIBRN COc1ccccc1CCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000218005168 557175475 /nfs/dbraw/zinc/17/54/75/557175475.db2.gz KIIPGXYELOXAAU-UHFFFAOYSA-N 0 0 425.981 6.004 40 70 IKIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000218001162 557175487 /nfs/dbraw/zinc/17/54/87/557175487.db2.gz ODENZKPEQDCDQF-QHCPKHFHSA-N 0 0 433.573 6.020 40 70 IKIBRN COc1ccc(-c2noc(CN(C)C(=O)c3ccc(CSc4ccccc4)cc3)n2)cc1 ZINC000218003539 557175496 /nfs/dbraw/zinc/17/54/96/557175496.db2.gz FDOCGHYAYDNGMI-UHFFFAOYSA-N 0 0 445.544 5.310 40 70 IKIBRN CC(C)c1ccc(CCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000218007371 557175770 /nfs/dbraw/zinc/17/57/70/557175770.db2.gz SLXQLPRAGVXFDR-UHFFFAOYSA-N 0 0 438.036 7.118 40 70 IKIBRN CC1(C)C[C@@H](NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c2ccccc2O1 ZINC000218006013 557175790 /nfs/dbraw/zinc/17/57/90/557175790.db2.gz BBHFAUGRATZHRY-JOCHJYFZSA-N 0 0 437.992 6.665 40 70 IKIBRN Cc1ccc([C@@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1C ZINC000218093628 557177112 /nfs/dbraw/zinc/17/71/12/557177112.db2.gz UQONQBYFEIOAJE-NFQMXDRXSA-N 0 0 444.600 5.569 40 70 IKIBRN COc1ccc(CSCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000218111084 557177240 /nfs/dbraw/zinc/17/72/40/557177240.db2.gz YSYLTIMPTXGHGR-UHFFFAOYSA-N 0 0 430.422 5.285 40 70 IKIBRN CC[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(OC)c(OC)c1 ZINC000218156572 557180445 /nfs/dbraw/zinc/18/04/45/557180445.db2.gz SKIBMMSFAUOLLQ-QGZVFWFLSA-N 0 0 428.381 5.511 40 70 IKIBRN CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000218167225 557180735 /nfs/dbraw/zinc/18/07/35/557180735.db2.gz KLKIVURMYUXADG-UHFFFAOYSA-N 0 0 448.320 5.438 40 70 IKIBRN O=C(CSCc1c(Cl)cccc1Cl)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000218157252 557180759 /nfs/dbraw/zinc/18/07/59/557180759.db2.gz GVUYXFCDZYSGSN-UHFFFAOYSA-N 0 0 442.755 5.246 40 70 IKIBRN COc1ccc(CNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c(OC)c1OC ZINC000218206827 557182084 /nfs/dbraw/zinc/18/20/84/557182084.db2.gz ZLFJHAUGEKYDEA-UHFFFAOYSA-N 0 0 437.561 5.243 40 70 IKIBRN Cc1ccc(SCc2ccc(C(=O)NCc3nc(-c4cccc(C)c4)no3)cc2)cc1 ZINC000218211246 557182091 /nfs/dbraw/zinc/18/20/91/557182091.db2.gz HCQSLEGQASMSLF-UHFFFAOYSA-N 0 0 429.545 5.576 40 70 IKIBRN Cc1ccc(SCc2ccc(C(=O)N[C@H]3CC(C)(C)Oc4ccc(C)cc43)cc2)cc1 ZINC000218209773 557182110 /nfs/dbraw/zinc/18/21/10/557182110.db2.gz ONIWYJYCZKSGGA-DEOSSOPVSA-N 0 0 431.601 6.628 40 70 IKIBRN Cc1ccc(SCc2ccc(C(=O)N(C)Cc3nc(-c4cccs4)no3)cc2)cc1 ZINC000218212122 557182418 /nfs/dbraw/zinc/18/24/18/557182418.db2.gz CAILTFHYRAOJKF-UHFFFAOYSA-N 0 0 435.574 5.671 40 70 IKIBRN Cc1ccc(SCc2ccc(C(=O)NCCCN3CCCc4ccccc43)cc2)cc1 ZINC000218212460 557182458 /nfs/dbraw/zinc/18/24/58/557182458.db2.gz JYQTWGPGJVEULY-UHFFFAOYSA-N 0 0 430.617 5.860 40 70 IKIBRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(C)c(C)c1 ZINC000218409093 557197550 /nfs/dbraw/zinc/19/75/50/557197550.db2.gz JSMCRKKKMVIZIH-XMMPIXPASA-N 0 0 436.577 5.294 40 70 IKIBRN CC[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(C)c(C)c1 ZINC000218424619 557198566 /nfs/dbraw/zinc/19/85/66/557198566.db2.gz KXPHBMPILXBZEC-JYFHCDHNSA-N 0 0 448.588 5.552 40 70 IKIBRN CC[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(C)c(C)c1 ZINC000218424453 557198577 /nfs/dbraw/zinc/19/85/77/557198577.db2.gz KXPHBMPILXBZEC-OZXSUGGESA-N 0 0 448.588 5.552 40 70 IKIBRN Cc1ccc([C@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1C ZINC000218424256 557198630 /nfs/dbraw/zinc/19/86/30/557198630.db2.gz UIUVYVMVKWOEPY-AVRWGWEMSA-N 0 0 434.561 5.162 40 70 IKIBRN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c1 ZINC000218422392 557198652 /nfs/dbraw/zinc/19/86/52/557198652.db2.gz WTHTUDXXRXBUNP-CJAUYULYSA-N 0 0 434.561 5.162 40 70 IKIBRN CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(C)cc1C ZINC000218518985 557205155 /nfs/dbraw/zinc/20/51/55/557205155.db2.gz NTBLGTJISTYHQX-HSZRJFAPSA-N 0 0 442.625 5.058 40 70 IKIBRN CCCCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000218527340 557206130 /nfs/dbraw/zinc/20/61/30/557206130.db2.gz HGKIEUYEEDTJCB-UHFFFAOYSA-N 0 0 449.016 5.500 40 70 IKIBRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3cc(C)ccc3C)c2C)cc1 ZINC000218585524 557208683 /nfs/dbraw/zinc/20/86/83/557208683.db2.gz CJKNIAMMEHPXBN-HXUWFJFHSA-N 0 0 436.577 5.212 40 70 IKIBRN CC[C@@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)c1ccc(C)cc1C ZINC000218592960 557208851 /nfs/dbraw/zinc/20/88/51/557208851.db2.gz WRSXRTRDROFPBH-HSZRJFAPSA-N 0 0 436.577 5.294 40 70 IKIBRN O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccccc1SCc1ccccc1 ZINC000218609288 557210026 /nfs/dbraw/zinc/21/00/26/557210026.db2.gz IFVFVUZUGIVEFX-UHFFFAOYSA-N 0 0 435.936 5.612 40 70 IKIBRN COc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1SCc1ccccc1)CC(C)(C)O2 ZINC000218607884 557210031 /nfs/dbraw/zinc/21/00/31/557210031.db2.gz LDELRPGWCYBPPX-QFIPXVFZSA-N 0 0 433.573 6.020 40 70 IKIBRN COc1cccc(-c2noc(CN(C)C(=O)c3ccccc3SCc3ccccc3)n2)c1 ZINC000218609618 557210118 /nfs/dbraw/zinc/21/01/18/557210118.db2.gz LDNORRIGAYHTLA-UHFFFAOYSA-N 0 0 445.544 5.310 40 70 IKIBRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C)c1ccc(C)c(C)c1 ZINC000218631343 557211462 /nfs/dbraw/zinc/21/14/62/557211462.db2.gz GKYAVPXILWQWAK-DEOSSOPVSA-N 0 0 442.625 5.058 40 70 IKIBRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000218671599 557212903 /nfs/dbraw/zinc/21/29/03/557212903.db2.gz WUESBUVXOWKVLW-OAHLLOKOSA-N 0 0 427.932 5.113 40 70 IKIBRN Cc1cc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc(C)c1Cl ZINC000218718408 557213619 /nfs/dbraw/zinc/21/36/19/557213619.db2.gz XKYANGUUXGVTOP-AWEZNQCLSA-N 0 0 434.323 5.086 40 70 IKIBRN O=S(=O)(F)c1ccc2nc(-c3cccc(Sc4ccccc4)c3)cc(Cl)c2c1 ZINC000017465958 563022008 /nfs/dbraw/zinc/02/20/08/563022008.db2.gz BOVBXGCHGDBHRO-UHFFFAOYSA-N 0 0 429.925 6.365 40 70 IKIBRN O=C(NCc1nc(-c2ccccc2)no1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000218007248 557175851 /nfs/dbraw/zinc/17/58/51/557175851.db2.gz CHITVULTAFQSCW-UHFFFAOYSA-N 0 0 435.936 5.612 40 70 IKIBRN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000218092579 557176743 /nfs/dbraw/zinc/17/67/43/557176743.db2.gz DJEMFCFYBQFVBY-HRFSGMKKSA-N 0 0 444.600 5.569 40 70 IKIBRN O=C(NCCSCc1ccc(Cl)cc1Cl)/C(=C/c1ccco1)c1ccccc1 ZINC000218098770 557177223 /nfs/dbraw/zinc/17/72/23/557177223.db2.gz GUIVCJGDNFSEAQ-XSFVSMFZSA-N 0 0 432.372 6.177 40 70 IKIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1c(Cl)cccc1Cl ZINC000218155963 557180314 /nfs/dbraw/zinc/18/03/14/557180314.db2.gz DMAOFIFCYKAUMS-GOSISDBHSA-N 0 0 440.392 5.654 40 70 IKIBRN CCCOc1ccccc1CCCNC(=O)CSCc1c(Cl)cccc1Cl ZINC000218154836 557180384 /nfs/dbraw/zinc/18/03/84/557180384.db2.gz OUQOUVMUSQDVCX-UHFFFAOYSA-N 0 0 426.409 5.764 40 70 IKIBRN Cc1ccc2c(c1)[C@H](NC(=O)CSCc1ccc(Br)cc1)CC(C)(C)O2 ZINC000218197624 557181461 /nfs/dbraw/zinc/18/14/61/557181461.db2.gz VXBZPIAYADNLOT-GOSISDBHSA-N 0 0 434.399 5.409 40 70 IKIBRN COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CSc3ccc(C)cc3)cc1)CC(C)(C)O2 ZINC000218210088 557182193 /nfs/dbraw/zinc/18/21/93/557182193.db2.gz PQDLTAYKEBDGRX-DEOSSOPVSA-N 0 0 447.600 6.328 40 70 IKIBRN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)c2ccccc2Cl)cc1 ZINC000218225037 557183082 /nfs/dbraw/zinc/18/30/82/557183082.db2.gz RJGVJJCCWBONLX-UHFFFAOYSA-N 0 0 449.016 5.073 40 70 IKIBRN CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(C)c(C)c1 ZINC000218304533 557191413 /nfs/dbraw/zinc/19/14/13/557191413.db2.gz CKPPBFWQWHNDGT-DEOSSOPVSA-N 0 0 436.577 5.010 40 70 IKIBRN CC[C@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccc(C)c(C)c1 ZINC000218348568 557194242 /nfs/dbraw/zinc/19/42/42/557194242.db2.gz OWPQXAJLZMMUSZ-QHCPKHFHSA-N 0 0 436.577 5.010 40 70 IKIBRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(C)cc1C ZINC000218409257 557197706 /nfs/dbraw/zinc/19/77/06/557197706.db2.gz DWCBVDOIOXOZJV-XMMPIXPASA-N 0 0 436.577 5.294 40 70 IKIBRN CC[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(C)c(C)c1 ZINC000218424537 557198665 /nfs/dbraw/zinc/19/86/65/557198665.db2.gz KXPHBMPILXBZEC-ZEQKJWHPSA-N 0 0 448.588 5.552 40 70 IKIBRN Cc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1S(=O)(=O)N1CCCCCC1 ZINC000218516337 557204572 /nfs/dbraw/zinc/20/45/72/557204572.db2.gz FYQGAWYKMFENFU-UHFFFAOYSA-N 0 0 428.598 5.244 40 70 IKIBRN CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(C)c(C)c1 ZINC000218518813 557205271 /nfs/dbraw/zinc/20/52/71/557205271.db2.gz AJVAYUIMQKOFJP-HSZRJFAPSA-N 0 0 442.625 5.058 40 70 IKIBRN CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(C)cc1C ZINC000218526648 557206135 /nfs/dbraw/zinc/20/61/35/557206135.db2.gz RYZZNDBOPTWMMH-OAQYLSRUSA-N 0 0 449.016 5.013 40 70 IKIBRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1)c1ccc(C)cc1C ZINC000218603038 557209566 /nfs/dbraw/zinc/20/95/66/557209566.db2.gz CKMBDHMUOFVLER-HSZRJFAPSA-N 0 0 436.577 5.294 40 70 IKIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1SCc1ccccc1 ZINC000218608129 557209912 /nfs/dbraw/zinc/20/99/12/557209912.db2.gz VKMYDQSKTRQVSP-JOCHJYFZSA-N 0 0 433.573 6.020 40 70 IKIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1SCc1ccccc1 ZINC000218608058 557209926 /nfs/dbraw/zinc/20/99/26/557209926.db2.gz VKMYDQSKTRQVSP-QFIPXVFZSA-N 0 0 433.573 6.020 40 70 IKIBRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000218671869 557212875 /nfs/dbraw/zinc/21/28/75/557212875.db2.gz WUWYYXUCQWYYAE-HNNXBMFYSA-N 0 0 427.932 5.113 40 70 IKIBRN COc1cc(Br)c(CNc2ccc(Br)c(Cl)c2)cc1OC ZINC000218006255 569180019 /nfs/dbraw/zinc/18/00/19/569180019.db2.gz FUSWNNCWYGNVGT-UHFFFAOYSA-N 0 0 435.543 5.494 40 70 IKIBRN