smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000408526670 555715947 /nfs/dbraw/zinc/71/59/47/555715947.db2.gz BXXBFHSMUSEDKL-LCYFTJDESA-N 0 1 440.301 4.366 40 10 IICBMN Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000408526670 555715949 /nfs/dbraw/zinc/71/59/49/555715949.db2.gz BXXBFHSMUSEDKL-LCYFTJDESA-N 0 1 440.301 4.366 40 10 IICBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(Br)o1 ZINC000032189237 556537147 /nfs/dbraw/zinc/53/71/47/556537147.db2.gz CFOVKJMJOCYYDJ-VURMDHGXSA-N 0 1 446.109 4.180 40 10 IICBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000408780348 556854353 /nfs/dbraw/zinc/85/43/53/556854353.db2.gz BCLMTGZFLIPMSC-WDZFZDKYSA-N 0 1 441.723 4.487 40 10 IICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OC ZINC000409009702 556917393 /nfs/dbraw/zinc/91/73/93/556917393.db2.gz BMMNOFWEZPZPCG-CXUHLZMHSA-N 0 1 444.940 4.195 40 10 IICBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(OCC)c1 ZINC000409097826 556953707 /nfs/dbraw/zinc/95/37/07/556953707.db2.gz JMLAJRJRXOHYOZ-LFIBNONCSA-N 0 1 444.940 4.277 40 10 IICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OC ZINC000409136113 556969328 /nfs/dbraw/zinc/96/93/28/556969328.db2.gz SGHKGCDIYITDTH-OQLLNIDSSA-N 0 1 444.940 4.195 40 10 IICBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3F)C(=O)NC2=S)c(C)c1 ZINC000409138595 556970691 /nfs/dbraw/zinc/97/06/91/556970691.db2.gz FEHTZGKZUWTQJV-CPNJWEJPSA-N 0 1 437.540 4.264 40 10 IICBMN CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc21 ZINC000208444716 557087481 /nfs/dbraw/zinc/08/74/81/557087481.db2.gz WZZGYDZTMYNGEF-SFQUDFHCSA-N 0 1 435.524 4.289 40 10 IICBMN COc1ccc(-n2cccc2C=C2C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000059104591 557814286 /nfs/dbraw/zinc/81/42/86/557814286.db2.gz YBAKIUFQZNEGKP-XSFVSMFZSA-N 0 1 433.489 4.166 40 10 IICBMN CCc1ccccc1N1C(=O)C(=Cc2cc(Br)c(N(C)C)o2)C(=O)NC1=S ZINC000059104531 557814318 /nfs/dbraw/zinc/81/43/18/557814318.db2.gz LIQHDXNSGHUAHB-UKTHLTGXSA-N 0 1 448.342 4.342 40 10 IICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1ccc(Cl)cc1 ZINC000035339593 569260233 /nfs/dbraw/zinc/26/02/33/569260233.db2.gz DLGWILHDROFAHF-UYRXBGFRSA-N 0 1 449.850 4.289 40 10 IICBMN Cc1cccc(C(=O)Oc2ccc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 ZINC000035387455 556091007 /nfs/dbraw/zinc/09/10/07/556091007.db2.gz ORXXPISRPSEOLC-ZHZULCJRSA-N 0 1 432.863 4.329 40 10 IICBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccccc1 ZINC000408692152 556094594 /nfs/dbraw/zinc/09/45/94/556094594.db2.gz FOOYWZXHRSQXAN-XSFVSMFZSA-N 0 1 434.492 4.069 40 10 IICBMN CN(C)c1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccc(Cl)cc2)cc1 ZINC000017995818 556681307 /nfs/dbraw/zinc/68/13/07/556681307.db2.gz UPKRAJVVJLFKFB-VABKMULXSA-N 0 1 447.922 4.457 40 10 IICBMN CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 ZINC000017995818 556681312 /nfs/dbraw/zinc/68/13/12/556681312.db2.gz UPKRAJVVJLFKFB-VABKMULXSA-N 0 1 447.922 4.457 40 10 IICBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408869129 556874166 /nfs/dbraw/zinc/87/41/66/556874166.db2.gz QWORKNAKHUYAAO-STZFKDTASA-N 0 1 432.476 4.236 40 10 IICBMN CCCOc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000408872241 556875277 /nfs/dbraw/zinc/87/52/77/556875277.db2.gz BSUAZEZUPFNKCX-WJDWOHSUSA-N 0 1 444.940 4.359 40 10 IICBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(Cc2cccc(F)c2)c1 ZINC000408875755 556876349 /nfs/dbraw/zinc/87/63/49/556876349.db2.gz HJZAKKLJNODKCE-JCMHNJIXSA-N 0 1 446.503 4.256 40 10 IICBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccn4)o3)C(=O)NC2=S)c(C)c1 ZINC000408991013 556911372 /nfs/dbraw/zinc/91/13/72/556911372.db2.gz MHSCKJJYDGSKSG-FOWTUZBSSA-N 0 1 435.530 4.274 40 10 IICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000409012800 556918914 /nfs/dbraw/zinc/91/89/14/556918914.db2.gz KVXTXNQRYNWGTK-CIAFOILYSA-N 0 1 444.560 4.246 40 10 IICBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)NC1=S ZINC000409070556 556944961 /nfs/dbraw/zinc/94/49/61/556944961.db2.gz CDHGPUVJJDOPPY-RVDMUPIBSA-N 0 1 443.931 4.219 40 10 IICBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)NC2=S)c(C)c1 ZINC000409145788 556977004 /nfs/dbraw/zinc/97/70/04/556977004.db2.gz QYLWJCSWIHBKPD-LDADJPATSA-N 0 1 447.472 4.303 40 10 IICBMN CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cccc1OC ZINC000409231046 557022634 /nfs/dbraw/zinc/02/26/34/557022634.db2.gz HWFLBQZUXDUMOM-HZGBGQKMSA-N 0 1 438.549 4.321 40 10 IICBMN CN(C)c1ccc(/C=C/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000409230977 557022794 /nfs/dbraw/zinc/02/27/94/557022794.db2.gz HLBJJMUYSWMIAR-PVMIXHCPSA-N 0 1 445.466 4.159 40 10 IICBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Cl ZINC000409246874 557028522 /nfs/dbraw/zinc/02/85/22/557028522.db2.gz KKYYJNLFABXRTH-NTUHNPAUSA-N 0 1 440.830 4.199 40 10 IICBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(OC)c1 ZINC000409250165 557030532 /nfs/dbraw/zinc/03/05/32/557030532.db2.gz PYMWJCNOJQCJLU-FOWTUZBSSA-N 0 1 443.956 4.026 40 10 IICBMN Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)NC2=S)c1 ZINC000409252409 557037204 /nfs/dbraw/zinc/03/72/04/557037204.db2.gz XSJDXURJRKQWJC-ATVHPVEESA-N 0 1 447.472 4.303 40 10 IICBMN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc([N+](=O)[O-])c1O ZINC000409332885 557066113 /nfs/dbraw/zinc/06/61/13/557066113.db2.gz SNYJOIIXMPPAGQ-YBEGLDIGSA-N 0 1 432.479 4.114 40 10 IICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1 ZINC000409399202 557101737 /nfs/dbraw/zinc/10/17/37/557101737.db2.gz GKZXJKXCAFAIKD-ZHZULCJRSA-N 0 1 449.304 4.490 40 10 IICBMN CCOc1cc(Cl)c(C=C2C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000096860814 557838888 /nfs/dbraw/zinc/83/88/88/557838888.db2.gz PDINILSEEMVMFM-OQLLNIDSSA-N 0 1 446.912 4.428 40 10 IICBMN CCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@@H](C)CC)C(=O)NC2=S)cc1 ZINC000107682081 569250951 /nfs/dbraw/zinc/25/09/51/569250951.db2.gz VIMYRBPCBWHJDA-FHHIAAGZSA-N 0 1 438.549 4.266 40 10 IICBMN CC[C@@H](C)Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Cl ZINC000015013142 556484207 /nfs/dbraw/zinc/48/42/07/556484207.db2.gz YQCSSUPYTOHHFL-XTCQQWIJSA-N 0 1 432.904 4.488 40 10 IICBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)ccc1OC(C)C ZINC000015013422 556484519 /nfs/dbraw/zinc/48/45/19/556484519.db2.gz ZESHYSNTARHXSO-GDNBJRDFSA-N 0 1 444.940 4.276 40 10 IICBMN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000036613160 556507537 /nfs/dbraw/zinc/50/75/37/556507537.db2.gz ULWCMAIWTWADCA-ATVHPVEESA-N 0 1 430.507 4.143 40 10 IICBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000408783259 556855330 /nfs/dbraw/zinc/85/53/30/556855330.db2.gz NEQVPOAZBDIOGC-NTCAYCPXSA-N 0 1 446.513 4.138 40 10 IICBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)cc1 ZINC000408887810 556879851 /nfs/dbraw/zinc/87/98/51/556879851.db2.gz RDWVFAQUIWHAGI-ZHZULCJRSA-N 0 1 432.476 4.236 40 10 IICBMN CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OC ZINC000409010323 556917906 /nfs/dbraw/zinc/91/79/06/556917906.db2.gz CBRQYJFZCRFIRS-CXUHLZMHSA-N 0 1 444.940 4.195 40 10 IICBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1Cl ZINC000409008758 556919134 /nfs/dbraw/zinc/91/91/34/556919134.db2.gz GBKAUAIAZODNQD-HNEYUBDGSA-N 0 1 444.940 4.357 40 10 IICBMN O=C1NC(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2cccc3ccccc32)C(=O)N1 ZINC000409058712 556935932 /nfs/dbraw/zinc/93/59/32/556935932.db2.gz SPNNHAYGYIJUBU-UHFFFAOYSA-N 0 1 441.270 4.475 40 10 IICBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cccn1-c1ccc(F)cc1 ZINC000409231900 557023560 /nfs/dbraw/zinc/02/35/60/557023560.db2.gz LRYKMLAOFWGZLZ-FOWTUZBSSA-N 0 1 425.872 4.101 40 10 IICBMN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cc(C)cc(C)c2)C1=O ZINC000409247614 557028970 /nfs/dbraw/zinc/02/89/70/557028970.db2.gz DQZBSJLWPPRZGM-KGENOOAVSA-N 0 1 449.576 4.134 40 10 IICBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1OC ZINC000409251322 557029223 /nfs/dbraw/zinc/02/92/23/557029223.db2.gz PBIITTMDJRWDNB-JMRXEAOASA-N 0 1 444.940 4.357 40 10 IICBMN O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1/C=C1\C(=O)NN(c2ccccc2)C1=O ZINC000409409947 557103034 /nfs/dbraw/zinc/10/30/34/557103034.db2.gz SBSMNYQGDQJKND-DVKSIGJHSA-N 0 1 444.874 4.420 40 10 IICBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OC(C)C ZINC000409407632 557107335 /nfs/dbraw/zinc/10/73/35/557107335.db2.gz NCEJXTYAZCTIAT-YBEGLDIGSA-N 0 1 445.313 4.096 40 10 IICBMN COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409409509 557108478 /nfs/dbraw/zinc/10/84/78/557108478.db2.gz VWHBAOSMCKUHIN-XSFVSMFZSA-N 0 1 434.879 4.389 40 10 IICBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C(Br)=C1C(C)=NN(c2ccccc2)C1=O ZINC000096168981 557182125 /nfs/dbraw/zinc/18/21/25/557182125.db2.gz RMYWIKONPQRBGB-JLMFCZBYSA-N 0 1 437.297 4.097 40 10 IICBMN CN(C)c1ccc(CN(CCCn2ccnc2)Cc2cc3c(cc2Cl)OCO3)cc1 ZINC000013991175 557400208 /nfs/dbraw/zinc/40/02/08/557400208.db2.gz OKOHHHDQQHQWRR-UHFFFAOYSA-N 0 1 426.948 4.424 40 10 IICBMN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccccc3C(=O)c3ccccc3)ccc21 ZINC000223848459 557520501 /nfs/dbraw/zinc/52/05/01/557520501.db2.gz WTVDPQZURFMHCZ-UHFFFAOYSA-N 0 1 434.517 4.018 40 10 IICBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccc2ccccc2c1 ZINC000106509907 569250489 /nfs/dbraw/zinc/25/04/89/569250489.db2.gz JCOSPLUNKQNWBM-WJDWOHSUSA-N 0 1 425.872 4.376 40 10 IICBMN CCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@H](C)CC)C(=O)NC2=S)cc1 ZINC000107682088 569250996 /nfs/dbraw/zinc/25/09/96/569250996.db2.gz VIMYRBPCBWHJDA-WBFOAEISSA-N 0 1 438.549 4.266 40 10 IICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc2c(c1)OCO2 ZINC000033654928 569259490 /nfs/dbraw/zinc/25/94/90/569259490.db2.gz GFASBSQAWQTYHE-UNOMPAQXSA-N 0 1 448.862 4.109 40 10 IICBMN Cc1ccc(C(=O)Oc2ccc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000035353064 556081248 /nfs/dbraw/zinc/08/12/48/556081248.db2.gz UVNUXJQNJOYRDP-ZHZULCJRSA-N 0 1 432.863 4.329 40 10 IICBMN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N=Cc1c(C)[nH]n(-c2cccc(C)c2)c1=O ZINC000408758162 556846036 /nfs/dbraw/zinc/84/60/36/556846036.db2.gz WGHQFGAUABYNRL-FYJGNVAPSA-N 0 1 430.468 4.424 40 10 IICBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)cc1 ZINC000408894671 556880353 /nfs/dbraw/zinc/88/03/53/556880353.db2.gz KGHLUXXVOCPZII-STZFKDTASA-N 0 1 432.476 4.236 40 10 IICBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)c(F)c3)C(=O)NC2=S)c1C ZINC000409135267 556969147 /nfs/dbraw/zinc/96/91/47/556969147.db2.gz XWGWEPYIOMOQNY-QGOAFFKASA-N 0 1 437.540 4.264 40 10 IICBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1Cl ZINC000409168882 556983198 /nfs/dbraw/zinc/98/31/98/556983198.db2.gz UVIDFPLTYNFWQR-WDGDVPDHSA-N 0 1 444.940 4.357 40 10 IICBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C)c2C)C(=O)NC1=S ZINC000409175310 556985477 /nfs/dbraw/zinc/98/54/77/556985477.db2.gz ZYDIMLKKEIKKCK-XMHGGMMESA-N 0 1 445.544 4.242 40 10 IICBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)NC2=S)cc1 ZINC000409237563 557019114 /nfs/dbraw/zinc/01/91/14/557019114.db2.gz XLIPPXRDEMBCMJ-KGENOOAVSA-N 0 1 431.517 4.138 40 10 IICBMN CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc([N+](=O)[O-])c1O ZINC000409329657 557064078 /nfs/dbraw/zinc/06/40/78/557064078.db2.gz HDSIVRNDAOUICI-OVCLIPMQSA-N 0 1 447.450 4.013 40 10 IICBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409373792 557090319 /nfs/dbraw/zinc/09/03/19/557090319.db2.gz VYSXVJPRQIMKND-UDWIEESQSA-N 0 1 436.851 4.174 40 10 IICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(Br)c1 ZINC000409407558 557107171 /nfs/dbraw/zinc/10/71/71/557107171.db2.gz MPEYJANVDDIOMS-UYRXBGFRSA-N 0 1 449.304 4.490 40 10 IICBMN CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccco2)cc1 ZINC000016009688 557468973 /nfs/dbraw/zinc/46/89/73/557468973.db2.gz FYROFDDOQGUHHL-DMTNHVFBSA-N 0 1 439.600 4.110 40 10 IICBMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccccc1F ZINC000059194095 557818253 /nfs/dbraw/zinc/81/82/53/557818253.db2.gz FICNKQXJZIENIH-XSFVSMFZSA-N 0 1 432.451 4.265 40 10 IICBMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000108059304 569252151 /nfs/dbraw/zinc/25/21/51/569252151.db2.gz UCVVSELWZOXRDX-HMAPJEAMSA-N 0 1 445.519 4.322 40 10 IICBMN COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1 ZINC000033702466 569259657 /nfs/dbraw/zinc/25/96/57/569259657.db2.gz YKGPEVGGFCIKAM-DEDYPNTBSA-N 0 1 434.879 4.389 40 10 IICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000033784649 569259947 /nfs/dbraw/zinc/25/99/47/569259947.db2.gz SNBMTSQHNRTPBP-UNOMPAQXSA-N 0 1 449.850 4.289 40 10 IICBMN Cc1ccccc1N1Oc2c(O)n(-c3ccc(F)cc3)c(O)c2[C@H]1c1ccc(N(C)C)cc1 ZINC000011859560 569303101 /nfs/dbraw/zinc/30/31/01/569303101.db2.gz OWNXZFIABYXDMT-WXFUMESZSA-N 0 1 445.494 4.251 40 10 IICBMN 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O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000216423049 557146089 /nfs/dbraw/zinc/14/60/89/557146089.db2.gz LXEHGMPDZQDHIB-UHFFFAOYSA-N 0 1 430.869 4.421 40 10 IICBMN COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OC(C)(C)C ZINC000033780009 569259891 /nfs/dbraw/zinc/25/98/91/569259891.db2.gz SBBLRYYBJPQMQS-LFIBNONCSA-N 0 1 445.313 4.096 40 10 IICBMN Cc1ccc(-n2c(O)cc(N3C(=O)C(=CC=Cc4ccccc4)SC3=S)c2O)cc1 ZINC000012649590 524922432 /nfs/dbraw/zinc/92/24/32/524922432.db2.gz DNRROVRYDPUHRR-SONHARSSSA-N 0 1 434.542 4.085 40 10 IICBMN Cc1ccc(N2C(=O)C[C@@H](N3C(=O)C(=CC=Cc4ccccc4)SC3=S)C2=O)cc1 ZINC000012649590 524922443 /nfs/dbraw/zinc/92/24/43/524922443.db2.gz DNRROVRYDPUHRR-SONHARSSSA-N 0 1 434.542 4.085 40 10 IICBMN Cc1ccc(N2C(=O)CC(N3C(=O)C(=CC=Cc4ccccc4)SC3=S)C2=O)cc1 ZINC000012649590 524922454 /nfs/dbraw/zinc/92/24/54/524922454.db2.gz DNRROVRYDPUHRR-SONHARSSSA-N 0 1 434.542 4.085 40 10 IICBMN Cc1ccc(OCCCOc2cccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c2)cc1 ZINC000002180345 555753374 /nfs/dbraw/zinc/75/33/74/555753374.db2.gz FUIUMQBZUZFYHV-HKOYGPOVSA-N 0 1 428.488 4.304 40 10 IICBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1cccc(C(F)(F)F)c1 ZINC000408552420 555879137 /nfs/dbraw/zinc/87/91/37/555879137.db2.gz TZPDKTVMQIGWKK-WQLSENKSSA-N 0 1 443.809 4.242 40 10 IICBMN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc2c3c1cccc3C(=O)N(C)C2=O ZINC000008856242 556227401 /nfs/dbraw/zinc/22/74/01/556227401.db2.gz SSYQWVJEIXHGBH-UNOMPAQXSA-N 0 1 444.878 4.438 40 10 IICBMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc2c3c1cccc3C(=O)N(C)C2=O ZINC000008856242 556227406 /nfs/dbraw/zinc/22/74/06/556227406.db2.gz SSYQWVJEIXHGBH-UNOMPAQXSA-N 0 1 444.878 4.438 40 10 IICBMN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)NC2=S)cc1 ZINC000408789092 556856047 /nfs/dbraw/zinc/85/60/47/556856047.db2.gz JEDTXTOZTUESJU-PXLXIMEGSA-N 0 1 445.544 4.324 40 10 IICBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1N1CCCC1 ZINC000408858796 556871395 /nfs/dbraw/zinc/87/13/95/556871395.db2.gz SNPWKBYNXIDEOA-AQTBWJFISA-N 0 1 425.941 4.080 40 10 IICBMN Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408996333 556912468 /nfs/dbraw/zinc/91/24/68/556912468.db2.gz DCHZNTCXZLLCLK-UHFFFAOYSA-N 0 1 449.894 4.076 40 10 IICBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3F)C(=O)NC2=S)c1C ZINC000409130900 556967821 /nfs/dbraw/zinc/96/78/21/556967821.db2.gz OEKMUVUNGBGLQF-CPNJWEJPSA-N 0 1 437.540 4.264 40 10 IICBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000409145271 556976747 /nfs/dbraw/zinc/97/67/47/556976747.db2.gz NSCGZTZPDXKVMT-OEAKJJBVSA-N 0 1 427.504 4.373 40 10 IICBMN COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(Cl)c(F)c1 ZINC000112295627 557239612 /nfs/dbraw/zinc/23/96/12/557239612.db2.gz PCXALFMBXQNRIZ-ODLFYWEKSA-N 0 1 446.822 4.039 40 10 IICBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1cccc(C)c1 ZINC000033657852 569259642 /nfs/dbraw/zinc/25/96/42/569259642.db2.gz GGKYFFFGKCKRII-BKUYFWCQSA-N 0 1 444.487 4.053 40 10 IICBMN CC[C@H](C)Oc1cc(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000034868884 569260089 /nfs/dbraw/zinc/26/00/89/569260089.db2.gz DTSSUFUTMSIJND-ATTDUZETSA-N 0 1 445.313 4.096 40 10 IICBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 ZINC000009264494 132311730 /nfs/dbraw/zinc/31/17/30/132311730.db2.gz IYYOCZGUVYANLI-CPNJWEJPSA-N 0 1 425.941 4.162 40 10 IICBMN COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000020495436 522049553 /nfs/dbraw/zinc/04/95/53/522049553.db2.gz XRGQWSYMJGYXBP-UHFFFAOYSA-N 0 1 443.908 4.300 40 10 IICBMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408692835 556092345 /nfs/dbraw/zinc/09/23/45/556092345.db2.gz WLRYRAWFEIMBGS-LICLKQGHSA-N 0 1 429.879 4.291 40 10 IICBMN COc1ccc2nc(SCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)[nH]c2c1 ZINC000008759978 556211254 /nfs/dbraw/zinc/21/12/54/556211254.db2.gz NEJYPFCZALKOAY-UHFFFAOYSA-N 0 1 443.484 4.078 40 10 IICBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)NC2=S)cc1 ZINC000408743095 556216151 /nfs/dbraw/zinc/21/61/51/556216151.db2.gz UODVZCVTXDGJKM-XDHOZWIPSA-N 0 1 447.472 4.303 40 10 IICBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)c(F)c3)C(=O)NC2=S)c(C)c1 ZINC000409132124 556963577 /nfs/dbraw/zinc/96/35/77/556963577.db2.gz OVUOIADREJJVCM-QGOAFFKASA-N 0 1 437.540 4.264 40 10 IICBMN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O ZINC000409124158 556964072 /nfs/dbraw/zinc/96/40/72/556964072.db2.gz JIHFKMVTQREITF-XSFVSMFZSA-N 0 1 449.576 4.134 40 10 IICBMN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O ZINC000409134927 556968843 /nfs/dbraw/zinc/96/88/43/556968843.db2.gz QFZLOKAQYFNXDD-XSFVSMFZSA-N 0 1 449.576 4.134 40 10 IICBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000409198423 556995479 /nfs/dbraw/zinc/99/54/79/556995479.db2.gz AIPAAXMQOMJGRZ-BKUYFWCQSA-N 0 1 431.467 4.233 40 10 IICBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3F)C(=O)NC2=S)cc1Cl ZINC000409220798 557016478 /nfs/dbraw/zinc/01/64/78/557016478.db2.gz FYEFOVBPRDZNSZ-LFIBNONCSA-N 0 1 439.899 4.410 40 10 IICBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC ZINC000409238614 557020117 /nfs/dbraw/zinc/02/01/17/557020117.db2.gz FBPJLELWLAABTP-YAJBTMAUSA-N 0 1 438.549 4.321 40 10 IICBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 ZINC000409247822 557029277 /nfs/dbraw/zinc/02/92/77/557029277.db2.gz ODGLALNBOLRNKL-FOWTUZBSSA-N 0 1 449.454 4.120 40 10 IICBMN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O ZINC000409241475 557031592 /nfs/dbraw/zinc/03/15/92/557031592.db2.gz XTYPWYPXGZEJJU-XSFVSMFZSA-N 0 1 449.576 4.134 40 10 IICBMN COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(Cl)c(F)c1 ZINC000112293722 557239738 /nfs/dbraw/zinc/23/97/38/557239738.db2.gz FRDSOXNSKUYFIK-NDENLUEZSA-N 0 1 431.851 4.140 40 10 IICBMN CN(C)c1ccc([C@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000169690212 557461049 /nfs/dbraw/zinc/46/10/49/557461049.db2.gz XNHDMZWCNVWVKI-XPWALMASSA-N 0 1 447.922 4.457 40 10 IICBMN CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000169690212 557461051 /nfs/dbraw/zinc/46/10/51/557461051.db2.gz XNHDMZWCNVWVKI-XPWALMASSA-N 0 1 447.922 4.457 40 10 IICBMN Cc1cc(C)cc(N2C(=O)C(=Cc3cc(Br)c(N(C)C)o3)C(=O)NC2=S)c1 ZINC000059104369 557814108 /nfs/dbraw/zinc/81/41/08/557814108.db2.gz SJPVXWVBKLDWLK-RIYZIHGNSA-N 0 1 448.342 4.397 40 10 IICBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000059194154 557818205 /nfs/dbraw/zinc/81/82/05/557818205.db2.gz FYCJYJIIIFMABT-QNGOZBTKSA-N 0 1 442.471 4.074 40 10 IICBMN CC[C@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000033367308 569259174 /nfs/dbraw/zinc/25/91/74/569259174.db2.gz LYMZFIVRDACKRQ-ATTDUZETSA-N 0 1 445.313 4.096 40 10 IICBMN COc1cc(C)c(C(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000001691758 555709616 /nfs/dbraw/zinc/70/96/16/555709616.db2.gz LEPVZKAIWIMYCI-UHFFFAOYSA-N 0 1 425.506 4.352 40 10 IICBMN CCOc1cccc(N2C(=O)/C(=C\c3c(OCC)ccc4ccccc43)C(=O)NC2=S)c1 ZINC000408740829 556212989 /nfs/dbraw/zinc/21/29/89/556212989.db2.gz IIUPJROFJAVOQH-QNGOZBTKSA-N 0 1 446.528 4.469 40 10 IICBMN CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)c2c1 ZINC000408777342 556848740 /nfs/dbraw/zinc/84/87/40/556848740.db2.gz YXTGLEOODBWIDG-RCCKNPSSSA-N 0 1 446.528 4.469 40 10 IICBMN Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409000236 556913997 /nfs/dbraw/zinc/91/39/97/556913997.db2.gz NAMLAXQHBBPPRY-UHFFFAOYSA-N 0 1 449.894 4.076 40 10 IICBMN COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(F)c4)C3=O)c2C)cc1 ZINC000409023189 556923204 /nfs/dbraw/zinc/92/32/04/556923204.db2.gz ULXOEQWBEBQFLT-CIAFOILYSA-N 0 1 449.507 4.073 40 10 IICBMN COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1OC(C)C ZINC000409105949 556958575 /nfs/dbraw/zinc/95/85/75/556958575.db2.gz KFDFVLBRNJCDLL-RVDMUPIBSA-N 0 1 444.940 4.276 40 10 IICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000409131841 556963338 /nfs/dbraw/zinc/96/33/38/556963338.db2.gz PBJHFDCSJGBIDZ-UDWIEESQSA-N 0 1 444.560 4.246 40 10 IICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(Cl)cc1OC ZINC000409134453 556968699 /nfs/dbraw/zinc/96/86/99/556968699.db2.gz SVXBZRDLRUJIJD-OQLLNIDSSA-N 0 1 444.940 4.195 40 10 IICBMN CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cccc1OC ZINC000409137708 556970126 /nfs/dbraw/zinc/97/01/26/556970126.db2.gz YLNFUBQVFQGADO-COYFKBPASA-N 0 1 438.549 4.321 40 10 IICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(Cl)cc1OC ZINC000409144903 556976550 /nfs/dbraw/zinc/97/65/50/556976550.db2.gz POXZUDDIIRAVRY-OQLLNIDSSA-N 0 1 444.940 4.195 40 10 IICBMN Cc1cc(-c2ccc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)o2)ccc1Br ZINC000409195857 556994152 /nfs/dbraw/zinc/99/41/52/556994152.db2.gz RGDDNBRWPSKYKP-WJDWOHSUSA-N 0 1 443.297 4.422 40 10 IICBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)C(=O)NC2=S)cc1 ZINC000409231164 557023000 /nfs/dbraw/zinc/02/30/00/557023000.db2.gz IJCLZFMNSHMWAN-OQLLNIDSSA-N 0 1 445.338 4.109 40 10 IICBMN COc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000409232231 557024008 /nfs/dbraw/zinc/02/40/08/557024008.db2.gz PFKDNPPXYQELBU-RIYZIHGNSA-N 0 1 440.830 4.199 40 10 IICBMN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000409246260 557028013 /nfs/dbraw/zinc/02/80/13/557028013.db2.gz HDRLASHUSFXKML-KGENOOAVSA-N 0 1 449.576 4.134 40 10 IICBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1OC ZINC000409251324 557029287 /nfs/dbraw/zinc/02/92/87/557029287.db2.gz PBIITTMDJRWDNB-WDGDVPDHSA-N 0 1 444.940 4.357 40 10 IICBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1 ZINC000409375052 557090485 /nfs/dbraw/zinc/09/04/85/557090485.db2.gz DUMJFPHKYHEIOR-CPNJWEJPSA-N 0 1 447.472 4.249 40 10 IICBMN CN(C)c1ccc([C@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000137825893 557459814 /nfs/dbraw/zinc/45/98/14/557459814.db2.gz XNHDMZWCNVWVKI-RJGXRXQPSA-N 0 1 447.922 4.457 40 10 IICBMN CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000137825893 557459816 /nfs/dbraw/zinc/45/98/16/557459816.db2.gz XNHDMZWCNVWVKI-RJGXRXQPSA-N 0 1 447.922 4.457 40 10 IICBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000108239765 569260955 /nfs/dbraw/zinc/26/09/55/569260955.db2.gz AGSTYLFBBWVTRQ-STZFKDTASA-N 0 1 432.451 4.265 40 10 IICBMN CN(C)c1ccc([C@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000100799204 556591218 /nfs/dbraw/zinc/59/12/18/556591218.db2.gz XNHDMZWCNVWVKI-VJBWXMMDSA-N 0 1 447.922 4.457 40 10 IICBMN CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000100799204 556591220 /nfs/dbraw/zinc/59/12/20/556591220.db2.gz XNHDMZWCNVWVKI-VJBWXMMDSA-N 0 1 447.922 4.457 40 10 IICBMN CN(C)c1cc(CN(C)Cc2ccc(N3CCCCC3)cc2F)nc([C@H]2CCCCN2)n1 ZINC000019709860 556871390 /nfs/dbraw/zinc/87/13/90/556871390.db2.gz GRKZBFCDEWGBGI-HSZRJFAPSA-N 0 1 440.611 4.119 40 10 IICBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OCc2ccccc2)c1 ZINC000408878271 556877237 /nfs/dbraw/zinc/87/72/37/556877237.db2.gz ZHTJTDUHUIRRSF-STZFKDTASA-N 0 1 444.512 4.106 40 10 IICBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 ZINC000408960278 556900210 /nfs/dbraw/zinc/90/02/10/556900210.db2.gz KPHUUDDNHVYPDA-NTCAYCPXSA-N 0 1 446.359 4.425 40 10 IICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000409012778 556918893 /nfs/dbraw/zinc/91/88/93/556918893.db2.gz KOAQABSBWMTXBW-LPYMAVHISA-N 0 1 445.544 4.248 40 10 IICBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)NC1=S ZINC000409100526 556955251 /nfs/dbraw/zinc/95/52/51/556955251.db2.gz UGBASZVZUQSSJK-DTQAZKPQSA-N 0 1 443.956 4.453 40 10 IICBMN COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)NC1=S ZINC000409173668 556984529 /nfs/dbraw/zinc/98/45/29/556984529.db2.gz OEGMFPFKLNALOR-FOWTUZBSSA-N 0 1 438.892 4.440 40 10 IICBMN CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OC ZINC000409343092 557070521 /nfs/dbraw/zinc/07/05/21/557070521.db2.gz DJDVYYQPASTWRD-ATVHPVEESA-N 0 1 448.591 4.482 40 10 IICBMN CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OC ZINC000409347448 557075500 /nfs/dbraw/zinc/07/55/00/557075500.db2.gz QAPARZDCYWOQBH-ZSAINHDTSA-N 0 1 448.591 4.480 40 10 IICBMN O=C(NN1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S)c1cccs1 ZINC000409349272 557077162 /nfs/dbraw/zinc/07/71/62/557077162.db2.gz VIRKHBZJGOUNTL-KPKJPENVSA-N 0 1 443.344 4.196 40 10 IICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000059194090 557818304 /nfs/dbraw/zinc/81/83/04/557818304.db2.gz PXMVALBULSBWKS-STZFKDTASA-N 0 1 449.304 4.490 40 10 IICBMN O=C(c1coc2ccc([O-])c(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c12)c1ccccc1 ZINC000257199116 568921886 /nfs/dbraw/zinc/92/18/86/568921886.db2.gz TUYDETQIFLBEGM-PKOBYXMFSA-N 0 1 440.499 4.150 40 10 IICBMN CCc1ccc(N2C(=O)C(=Cc3ccc(N4CCOCC4)c(C)c3)C(=O)NC2=S)cc1 ZINC000033761228 569259798 /nfs/dbraw/zinc/25/97/98/569259798.db2.gz 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ZINC000100799225 556591199 /nfs/dbraw/zinc/59/11/99/556591199.db2.gz PQYFAIATJQQAJU-VABKMULXSA-N 0 1 447.922 4.457 40 10 IICBMN Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2O)C1=O ZINC000409044953 556930355 /nfs/dbraw/zinc/93/03/55/556930355.db2.gz DUCDAZINYRNRTA-LFYBBSHMSA-N 0 1 425.655 4.327 40 10 IICBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3F)C(=O)NC2=S)c1 ZINC000409227621 557014714 /nfs/dbraw/zinc/01/47/14/557014714.db2.gz QXFIYXKGNFPQCU-CPNJWEJPSA-N 0 1 437.540 4.264 40 10 IICBMN CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC ZINC000409221096 557016505 /nfs/dbraw/zinc/01/65/05/557016505.db2.gz KUIHTOZMZIAMJH-OQLLNIDSSA-N 0 1 444.940 4.195 40 10 IICBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(N2CCCCC2)c(F)c1 ZINC000409241878 557031969 /nfs/dbraw/zinc/03/19/69/557031969.db2.gz ZDSHUALJYNNEQS-NTCAYCPXSA-N 0 1 443.931 4.301 40 10 IICBMN COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)cc1 ZINC000409243845 557033473 /nfs/dbraw/zinc/03/34/73/557033473.db2.gz 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COc1ccc(N2CCN(C[C@H](O)COCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000054176444 568843386 /nfs/dbraw/zinc/84/33/86/568843386.db2.gz CLYZVPINENZDCN-SANMLTNESA-N 0 1 446.591 4.027 40 10 IICBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccccc2Cl)C(=O)NC1=S ZINC000408742312 556215686 /nfs/dbraw/zinc/21/56/86/556215686.db2.gz QNZZUSNKVZIDMT-UKTHLTGXSA-N 0 1 435.730 4.242 40 10 IICBMN CC(C)Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000408880226 556876376 /nfs/dbraw/zinc/87/63/76/556876376.db2.gz FIRQWNCLOQLFNP-GDNBJRDFSA-N 0 1 445.338 4.068 40 10 IICBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000408931488 556892646 /nfs/dbraw/zinc/89/26/46/556892646.db2.gz MGQOMNFARFGLNT-QGOAFFKASA-N 0 1 441.434 4.327 40 10 IICBMN Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)NC2=S)c1C ZINC000409137930 556970469 /nfs/dbraw/zinc/97/04/69/556970469.db2.gz ZUHBHRHXMIMXJK-ATVHPVEESA-N 0 1 447.472 4.303 40 10 IICBMN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)c2C)cc1 ZINC000409187282 556988120 /nfs/dbraw/zinc/98/81/20/556988120.db2.gz OJLDZBWTDOWLTP-PXLXIMEGSA-N 0 1 445.544 4.324 40 10 IICBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(Br)s3)C(=O)NC2=S)cc1 ZINC000409237974 557019424 /nfs/dbraw/zinc/01/94/24/557019424.db2.gz JQBGPCKFPXGMMP-NTEUORMPSA-N 0 1 435.368 4.465 40 10 IICBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OC(C)C ZINC000409247454 557028898 /nfs/dbraw/zinc/02/88/98/557028898.db2.gz CIHBRVIOBVHCMR-OQLLNIDSSA-N 0 1 444.940 4.276 40 10 IICBMN O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000223266139 557452868 /nfs/dbraw/zinc/45/28/68/557452868.db2.gz MDTWVJQQEBXIBQ-UHFFFAOYSA-N 0 1 446.528 4.018 40 10 IICBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000033417702 557808092 /nfs/dbraw/zinc/80/80/92/557808092.db2.gz FXNAPFCKFHRYII-XDHOZWIPSA-N 0 1 436.851 4.174 40 10 IICBMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNc1ccc(Oc2ccccc2Cl)cc1 ZINC000109821700 569253496 /nfs/dbraw/zinc/25/34/96/569253496.db2.gz VAQFVWNALOYELZ-ATVHPVEESA-N 0 1 437.839 4.300 40 10 IICBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000034718828 569260073 /nfs/dbraw/zinc/26/00/73/569260073.db2.gz KXUQTJMVKAZWTH-BKUYFWCQSA-N 0 1 444.487 4.053 40 10 IICBMN Cc1cccc(N2C(=O)/C(=C/c3cc(F)c(N4CCCC4)cc3C)C(=O)NC2=S)c1C ZINC000108071917 569260826 /nfs/dbraw/zinc/26/08/26/569260826.db2.gz GZHSBJKKVBFEDQ-LDADJPATSA-N 0 1 437.540 4.182 40 10 IICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc(Br)cc2)c1 ZINC000108284643 569260910 /nfs/dbraw/zinc/26/09/10/569260910.db2.gz ZJWYVTOZAMABHI-STZFKDTASA-N 0 1 449.304 4.490 40 10 IICBMN CN(C)c1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000018169480 569285986 /nfs/dbraw/zinc/28/59/86/569285986.db2.gz PQYFAIATJQQAJU-VJBWXMMDSA-N 0 1 447.922 4.457 40 10 IICBMN CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018169480 569285988 /nfs/dbraw/zinc/28/59/88/569285988.db2.gz PQYFAIATJQQAJU-VJBWXMMDSA-N 0 1 447.922 4.457 40 10 IICBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1O[C@@H](C)CC ZINC000408694914 556097207 /nfs/dbraw/zinc/09/72/07/556097207.db2.gz NWFSTQYLZKRCKJ-RKPNYOAGSA-N 0 1 434.920 4.320 40 10 IICBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)NC2=S)cc1 ZINC000408740073 556211691 /nfs/dbraw/zinc/21/16/91/556211691.db2.gz CWJMTOJKFMNWID-PXLXIMEGSA-N 0 1 428.513 4.405 40 10 IICBMN O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000035684214 556230891 /nfs/dbraw/zinc/23/08/91/556230891.db2.gz CNPQNAQXJDAPEO-UHFFFAOYSA-N 0 1 429.881 4.143 40 10 IICBMN CC[C@H](C)Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Cl ZINC000015013143 556484074 /nfs/dbraw/zinc/48/40/74/556484074.db2.gz YQCSSUPYTOHHFL-GVIGZQTCSA-N 0 1 432.904 4.488 40 10 IICBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cc(Br)cs2)C(=O)NC1=S ZINC000409096446 556953145 /nfs/dbraw/zinc/95/31/45/556953145.db2.gz JTDSVKAJUZQSHK-IZZDOVSWSA-N 0 1 441.759 4.304 40 10 IICBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3)c2C)C(=O)NC1=S ZINC000409166338 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CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCc2ccccc2Cl)c1 ZINC000035125233 569260011 /nfs/dbraw/zinc/26/00/11/569260011.db2.gz UALBNLNFAADEHB-STZFKDTASA-N 0 1 447.922 4.446 40 10 IICBMN CC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)cc1 ZINC000009262473 132311542 /nfs/dbraw/zinc/31/15/42/132311542.db2.gz UREMIIIOMCEJKU-ATVHPVEESA-N 0 1 434.448 4.120 40 10 IICBMN COc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccccc4)o3)C(=O)NC2=S)cc1 ZINC000006645248 536660180 /nfs/dbraw/zinc/66/01/80/536660180.db2.gz MOWLUPGRECSTBR-AQTBWJFISA-N 0 1 436.514 4.271 40 10 IICBMN Cc1cc(CN(CCCN2CCOCC2)Cc2cccnc2)c(C)n1-c1ccccc1F ZINC000019567574 556807860 /nfs/dbraw/zinc/80/78/60/556807860.db2.gz JRPKXAQGBUTLSV-UHFFFAOYSA-N 0 1 436.575 4.353 40 10 IICBMN Cc1ccc(COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)cc1 ZINC000408873473 556875513 /nfs/dbraw/zinc/87/55/13/556875513.db2.gz UMUXWDCUGHQHIC-JCMHNJIXSA-N 0 1 428.513 4.405 40 10 IICBMN O=C1NC(=O)C(=Cc2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)C(=O)N1 ZINC000409049123 556932099 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1 444.940 4.312 40 10 IICBMN C[C@@]1(O)CCN(Cc2ccccc2O)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000604383084 557237449 /nfs/dbraw/zinc/23/74/49/557237449.db2.gz GYIONMZTLLZEIS-WPFOTENUSA-N 0 1 440.540 4.089 40 10 biogenic,in-vitro IICBMN CN1CCN(c2ccc(CNC(=O)CSCc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000222734688 557381168 /nfs/dbraw/zinc/38/11/68/557381168.db2.gz HCMYCQPSFKOKFP-UHFFFAOYSA-N 0 1 438.424 4.295 40 10 IICBMN COC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000223794486 557514393 /nfs/dbraw/zinc/51/43/93/557514393.db2.gz HSSCAWDEEGNVBG-UHFFFAOYSA-N 0 1 429.881 4.158 40 10 IICBMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1C ZINC000223823984 557517620 /nfs/dbraw/zinc/51/76/20/557517620.db2.gz OZRMVAAGDMAYBA-UHFFFAOYSA-N 0 1 443.908 4.467 40 10 IICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000034718417 569260068 /nfs/dbraw/zinc/26/00/68/569260068.db2.gz GPEYNNMAKAAPCF-UNOMPAQXSA-N 0 1 449.850 4.289 40 10 IICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2F)o1 ZINC000035199559 569260214 /nfs/dbraw/zinc/26/02/14/569260214.db2.gz CZFXTBXHDKRDAJ-WJDWOHSUSA-N 0 1 427.229 4.310 40 10 IICBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)o1 ZINC000204987062 569261123 /nfs/dbraw/zinc/26/11/23/569261123.db2.gz RXUNQYNYMMZZLF-ZRDIBKRKSA-N 0 1 438.336 4.264 40 10 IICBMN Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000208499084 569261355 /nfs/dbraw/zinc/26/13/55/569261355.db2.gz DFMYCVXJNPTQDD-NDENLUEZSA-N 0 1 434.477 4.334 40 10 IICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000035199542 555989012 /nfs/dbraw/zinc/98/90/12/555989012.db2.gz HDRUTHVIRCXNPP-MOSHPQCFSA-N 0 1 449.850 4.289 40 10 IICBMN CCOc1cccc(N2C(=O)/C(=C\c3c(OC)ccc4ccccc43)C(=O)NC2=S)c1 ZINC000408739928 556211290 /nfs/dbraw/zinc/21/12/90/556211290.db2.gz GTHSZGQHCLRUDE-ZHZULCJRSA-N 0 1 432.501 4.078 40 10 IICBMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000083309648 556663553 /nfs/dbraw/zinc/66/35/53/556663553.db2.gz XGRLODCBISDRBZ-VXLYETTFSA-N 0 1 434.408 4.098 40 10 IICBMN Cn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 ZINC000408853064 556870163 /nfs/dbraw/zinc/87/01/63/556870163.db2.gz KZLNHUFJJMSZNZ-UKTHLTGXSA-N 0 1 430.316 4.316 40 10 IICBMN CC(C)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000408884910 556877738 /nfs/dbraw/zinc/87/77/38/556877738.db2.gz VWWLYQNPGJXWHQ-WJDWOHSUSA-N 0 1 445.338 4.068 40 10 IICBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4ccccn4)o3)C(=O)NC2=S)c1 ZINC000408991629 556911730 /nfs/dbraw/zinc/91/17/30/556911730.db2.gz OOUPMLYUQMAIJG-SFQUDFHCSA-N 0 1 435.530 4.274 40 10 IICBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)NC2=S)c(C)c1 ZINC000409128895 556966802 /nfs/dbraw/zinc/96/68/02/556966802.db2.gz SUGLGNBMCIYZSN-PDGQHHTCSA-N 0 1 447.472 4.303 40 10 IICBMN CC(C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000409238906 557020450 /nfs/dbraw/zinc/02/04/50/557020450.db2.gz OILAKSOGHYWSOU-MHWRWJLKSA-N 0 1 434.439 4.324 40 10 IICBMN Cc1ccccc1N1C(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)NC1=S ZINC000409240142 557021211 /nfs/dbraw/zinc/02/12/11/557021211.db2.gz OSKAJSKRFPKMPM-OVCLIPMQSA-N 0 1 440.322 4.070 40 10 IICBMN COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C(=O)NC2=S)cc1 ZINC000208193352 557079139 /nfs/dbraw/zinc/07/91/39/557079139.db2.gz SKTLBBPCAOFKCJ-OOWUWCJESA-N 0 1 449.576 4.249 40 10 IICBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3F)C(=O)NC2=S)cc1 ZINC000409369540 557089082 /nfs/dbraw/zinc/08/90/82/557089082.db2.gz CPEWTGCQYSJCPL-XSFVSMFZSA-N 0 1 437.540 4.210 40 10 IICBMN CCCCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(CC)C3=O)c2C)cc1 ZINC000005946221 557144601 /nfs/dbraw/zinc/14/46/01/557144601.db2.gz JKKWAAJOZRMAQQ-XSFVSMFZSA-N 0 1 437.496 4.373 40 10 IICBMN CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C1=O ZINC000005947677 557145009 /nfs/dbraw/zinc/14/50/09/557145009.db2.gz YTTWVDGKMOKSOR-MHWRWJLKSA-N 0 1 430.302 4.487 40 10 IICBMN CN(C)c1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102196362 557458037 /nfs/dbraw/zinc/45/80/37/557458037.db2.gz PQYFAIATJQQAJU-RJGXRXQPSA-N 0 1 447.922 4.457 40 10 IICBMN CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102196362 557458041 /nfs/dbraw/zinc/45/80/41/557458041.db2.gz PQYFAIATJQQAJU-RJGXRXQPSA-N 0 1 447.922 4.457 40 10 IICBMN CCn1c2ccc(S(=O)(=O)Nc3ccccc3C(=O)c3ccccc3)cc2sc1=O ZINC000225698234 557766079 /nfs/dbraw/zinc/76/60/79/557766079.db2.gz IFDZOHKRTQUCHQ-UHFFFAOYSA-N 0 1 438.530 4.115 40 10 IICBMN CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)NC2=S)cc1 ZINC000110215082 569253537 /nfs/dbraw/zinc/25/35/37/569253537.db2.gz UGDZUWKISFJYMN-UYRXBGFRSA-N 0 1 447.472 4.249 40 10 IICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000034848960 569260100 /nfs/dbraw/zinc/26/01/00/569260100.db2.gz FVARYPZHEYKGMD-ZDLGFXPLSA-N 0 1 448.862 4.109 40 10 IICBMN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)cc1 ZINC000208681845 569261390 /nfs/dbraw/zinc/26/13/90/569261390.db2.gz VATATFKNLGZOAZ-PGMHBOJBSA-N 0 1 430.460 4.365 40 10 IICBMN CN(C)c1ccc([N+](=O)[O-])cc1C=C1C(=O)NC(=S)N(c2cccc3ccccc32)C1=O ZINC000016186541 556587663 /nfs/dbraw/zinc/58/76/63/556587663.db2.gz HRJGAXPBRVHOCV-QGOAFFKASA-N 0 1 446.488 4.486 40 10 IICBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)C(=O)NC2=S)c1 ZINC000408786918 556856389 /nfs/dbraw/zinc/85/63/89/556856389.db2.gz XMTYVEWOKSCDBL-FYJGNVAPSA-N 0 1 437.565 4.450 40 10 IICBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OC(C)C ZINC000408877468 556877198 /nfs/dbraw/zinc/87/71/98/556877198.db2.gz WCCQMTNTJUITBL-YBEGLDIGSA-N 0 1 444.940 4.357 40 10 IICBMN CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c1C ZINC000408968643 556904028 /nfs/dbraw/zinc/90/40/28/556904028.db2.gz YDOCWSKPPUPURN-RCCKNPSSSA-N 0 1 429.545 4.488 40 10 IICBMN O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000019936444 556951202 /nfs/dbraw/zinc/95/12/02/556951202.db2.gz NAHPOZTXPZRPKK-UHFFFAOYSA-N 0 1 428.853 4.219 40 10 IICBMN Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)Nc2cccnc2)CCCC3)cc1 ZINC000409118729 556960596 /nfs/dbraw/zinc/96/05/96/556960596.db2.gz UFCDXGRKJAJQMD-UHFFFAOYSA-N 0 1 427.551 4.383 40 10 IICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000409145148 556976467 /nfs/dbraw/zinc/97/64/67/556976467.db2.gz PLIXKXQYJQQURA-DEDYPNTBSA-N 0 1 444.560 4.246 40 10 IICBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c2ccccc12 ZINC000409172179 556983990 /nfs/dbraw/zinc/98/39/90/556983990.db2.gz CQADATVRNBRTJL-NBVRZTHBSA-N 0 1 432.501 4.078 40 10 IICBMN COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2c1 ZINC000409232593 557024347 /nfs/dbraw/zinc/02/43/47/557024347.db2.gz RNAVWRYVFMPJLY-DEDYPNTBSA-N 0 1 446.528 4.305 40 10 IICBMN CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cccc1OC ZINC000409245928 557027586 /nfs/dbraw/zinc/02/75/86/557027586.db2.gz AYZLPRVSYRRFGF-MLJWKTOOSA-N 0 1 444.940 4.357 40 10 IICBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)ccc1OC(C)C ZINC000409250290 557030509 /nfs/dbraw/zinc/03/05/09/557030509.db2.gz MXLILGDQRRJMKZ-XDHOZWIPSA-N 0 1 438.549 4.437 40 10 IICBMN Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C)C(=O)NC2=S)cc1 ZINC000208444797 557087549 /nfs/dbraw/zinc/08/75/49/557087549.db2.gz ALISMEKHKRPMBK-DEDYPNTBSA-N 0 1 431.561 4.458 40 10 IICBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409408562 557107769 /nfs/dbraw/zinc/10/77/69/557107769.db2.gz RHPLUFBGLKSALQ-JCMHNJIXSA-N 0 1 428.488 4.434 40 10 IICBMN CC(C)c1cc(NS(=O)(=O)c2ccccc2)cc(S(=O)(=O)c2ccccc2)c1O ZINC000026787029 557248884 /nfs/dbraw/zinc/24/88/84/557248884.db2.gz VAYPNQOMDLHOPB-UHFFFAOYSA-N 0 1 431.535 4.149 40 10 IICBMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br ZINC000059135763 557815491 /nfs/dbraw/zinc/81/54/91/557815491.db2.gz WNRYTPPALCFZSL-DHZHZOJOSA-N 0 1 435.274 4.268 40 10 IICBMN Cc1ccc(N2C(=O)/C(=C/c3cc(F)c(N4CCCC4)cc3C)C(=O)NC2=S)cc1C ZINC000107543372 569260483 /nfs/dbraw/zinc/26/04/83/569260483.db2.gz QSUOUJGSOSKYPM-XDHOZWIPSA-N 0 1 437.540 4.182 40 10 IICBMN CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)C(=O)NC1=S ZINC000408771185 556846677 /nfs/dbraw/zinc/84/66/77/556846677.db2.gz DIQYAVDBPATKCS-RCCKNPSSSA-N 0 1 429.545 4.488 40 10 IICBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(Cc2ccccc2F)c1 ZINC000408874502 556875831 /nfs/dbraw/zinc/87/58/31/556875831.db2.gz CRGQYXLOLAWNAZ-QNGOZBTKSA-N 0 1 446.503 4.256 40 10 IICBMN CC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4cccc(F)c4)C3=O)o2)cc1 ZINC000409021650 556922440 /nfs/dbraw/zinc/92/24/40/556922440.db2.gz RSBYVURKEYUCQZ-XDHOZWIPSA-N 0 1 434.448 4.120 40 10 IICBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)NC2=S)c(C)c1 ZINC000409131167 556967812 /nfs/dbraw/zinc/96/78/12/556967812.db2.gz NLIJFJKEUNMBHX-ATVHPVEESA-N 0 1 447.472 4.303 40 10 IICBMN CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cccc1OC ZINC000409148587 556973802 /nfs/dbraw/zinc/97/38/02/556973802.db2.gz QQOBENCZSNPFKF-HZGBGQKMSA-N 0 1 438.549 4.321 40 10 IICBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)NC2=S)c1 ZINC000409231894 557023515 /nfs/dbraw/zinc/02/35/15/557023515.db2.gz LQPKVAYEQILRJL-LDADJPATSA-N 0 1 447.472 4.303 40 10 IICBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(OCC)c1 ZINC000409247506 557028924 /nfs/dbraw/zinc/02/89/24/557028924.db2.gz CZRLYSHCIHWFBS-LICLKQGHSA-N 0 1 444.940 4.277 40 10 IICBMN Cc1cc(N2CCCC2)ccc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O ZINC000409328383 557062557 /nfs/dbraw/zinc/06/25/57/557062557.db2.gz UBWGANBZCWEKGI-SFQUDFHCSA-N 0 1 429.592 4.203 40 10 IICBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409408474 557107803 /nfs/dbraw/zinc/10/78/03/557107803.db2.gz QUYUICXTGMPPAJ-MOSHPQCFSA-N 0 1 434.879 4.389 40 10 IICBMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000001168390 557119615 /nfs/dbraw/zinc/11/96/15/557119615.db2.gz SDXBQBUJDGVMFG-YBFXNURJSA-N 0 1 448.435 4.406 40 10 IICBMN CN(C)c1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccc(Cl)cc2)cc1 ZINC000100722270 557455147 /nfs/dbraw/zinc/45/51/47/557455147.db2.gz UPKRAJVVJLFKFB-XPWALMASSA-N 0 1 447.922 4.457 40 10 IICBMN CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 ZINC000100722270 557455149 /nfs/dbraw/zinc/45/51/49/557455149.db2.gz UPKRAJVVJLFKFB-XPWALMASSA-N 0 1 447.922 4.457 40 10 IICBMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000059194087 557818223 /nfs/dbraw/zinc/81/82/23/557818223.db2.gz QUYUICXTGMPPAJ-DEDYPNTBSA-N 0 1 434.879 4.389 40 10 IICBMN CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)cc3C)C(=O)NC2=S)cc1 ZINC000108171553 569252608 /nfs/dbraw/zinc/25/26/08/569252608.db2.gz PKEJBNBEDLQGBU-RCCKNPSSSA-N 0 1 429.545 4.488 40 10 IICBMN COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OC(C)(C)C ZINC000033780008 569259899 /nfs/dbraw/zinc/25/98/99/569259899.db2.gz SBBLRYYBJPQMQS-WJDWOHSUSA-N 0 1 445.313 4.096 40 10 IICBMN CCc1ccc(N2C(=O)/C(=C/c3cc(F)c(N4CCCC4)cc3C)C(=O)NC2=S)cc1 ZINC000108994924 569260957 /nfs/dbraw/zinc/26/09/57/569260957.db2.gz LIFGVDKPFMZAIW-CPNJWEJPSA-N 0 1 437.540 4.128 40 10 IICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000035199549 555989348 /nfs/dbraw/zinc/98/93/48/555989348.db2.gz SIEMGFBBEUISQM-MOSHPQCFSA-N 0 1 449.850 4.289 40 10 IICBMN CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C(=O)NC2=S)c1 ZINC000032193994 556537120 /nfs/dbraw/zinc/53/71/20/556537120.db2.gz KUTNZIKYPBYOPU-UYRXBGFRSA-N 0 1 436.464 4.316 40 10 IICBMN CCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000408871549 556875061 /nfs/dbraw/zinc/87/50/61/556875061.db2.gz HEKOXXALLZSRBL-VBKFSLOCSA-N 0 1 445.338 4.069 40 10 IICBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1Cl ZINC000409168881 556983187 /nfs/dbraw/zinc/98/31/87/556983187.db2.gz UVIDFPLTYNFWQR-JMRXEAOASA-N 0 1 444.940 4.357 40 10 IICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OC ZINC000409240742 557021622 /nfs/dbraw/zinc/02/16/22/557021622.db2.gz PPNVJISEKQGNCB-OQLLNIDSSA-N 0 1 444.940 4.195 40 10 IICBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(=O)NC2=S)cc1Cl ZINC000409233182 557024739 /nfs/dbraw/zinc/02/47/39/557024739.db2.gz RPHYXANXRCWNIF-FOWTUZBSSA-N 0 1 429.929 4.063 40 10 IICBMN COc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O ZINC000409254973 557034409 /nfs/dbraw/zinc/03/44/09/557034409.db2.gz XHDAPPXEYSFSKY-KGENOOAVSA-N 0 1 449.576 4.250 40 10 IICBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)ccn4)c3C)C(=O)NC2=S)cc1 ZINC000409379824 557094663 /nfs/dbraw/zinc/09/46/63/557094663.db2.gz ZWHYCLAUXCYNNR-KGENOOAVSA-N 0 1 444.560 4.191 40 10 IICBMN Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000013471351 557322032 /nfs/dbraw/zinc/32/20/32/557322032.db2.gz VTXCABQQTASRJY-WQRHYEAKSA-N 0 1 437.883 4.311 40 10 IICBMN CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1NC(C)=O ZINC000225628605 557754137 /nfs/dbraw/zinc/75/41/37/557754137.db2.gz NHMNKOZRQIHTEN-UHFFFAOYSA-N 0 1 440.546 4.399 40 10 IICBMN Cc1cccc(N2C(=O)C(=Cc3cc(Br)c(N(C)C)o3)C(=O)NC2=S)c1C ZINC000059104897 557814355 /nfs/dbraw/zinc/81/43/55/557814355.db2.gz INOOCZNXVDESDV-MDWZMJQESA-N 0 1 448.342 4.397 40 10 IICBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000108253657 569252861 /nfs/dbraw/zinc/25/28/61/569252861.db2.gz BGUMKZVPJWHYND-XDHOZWIPSA-N 0 1 436.851 4.174 40 10 IICBMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(C)c1O ZINC000038176877 569260181 /nfs/dbraw/zinc/26/01/81/569260181.db2.gz PLPWPXFOQOLICG-OVCLIPMQSA-N 0 1 431.311 4.443 40 10 IICBMN Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O ZINC000009260409 132311501 /nfs/dbraw/zinc/31/15/01/132311501.db2.gz GVESNCJOGOHISN-XDHOZWIPSA-N 0 1 425.941 4.080 40 10 IICBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1Cc1ccccc1 ZINC000015013131 526088243 /nfs/dbraw/zinc/08/82/43/526088243.db2.gz YRIAWNBIEFFIPL-BKUYFWCQSA-N 0 1 433.508 4.124 40 10 IICBMN CCN(CC)c1ccc(/C=C2/C(=O)NN(c3cccc4ccccc43)C2=O)cc1[N+](=O)[O-] ZINC000016678657 556623459 /nfs/dbraw/zinc/62/34/59/556623459.db2.gz ZORQNUJLWGZPPE-RGEXLXHISA-N 0 1 430.464 4.056 40 10 IICBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)NC2=S)cc1 ZINC000408759571 556686657 /nfs/dbraw/zinc/68/66/57/556686657.db2.gz HGNIGDUKEUEEDN-HYARGMPZSA-N 0 1 445.544 4.242 40 10 IICBMN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N=Cc1c(C)[nH]n(-c2ccc(F)cc2)c1=O ZINC000408758157 556842949 /nfs/dbraw/zinc/84/29/49/556842949.db2.gz WECBNPZYHLFOAF-UDWIEESQSA-N 0 1 434.431 4.255 40 10 IICBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000408772831 556847881 /nfs/dbraw/zinc/84/78/81/556847881.db2.gz RREDYDIQDYGDNC-RMKNXTFCSA-N 0 1 427.696 4.184 40 10 IICBMN Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1[N+](=O)[O-] ZINC000408859427 556872290 /nfs/dbraw/zinc/87/22/90/556872290.db2.gz UFVGVORJDFOZNL-YRNVUSSQSA-N 0 1 436.276 4.041 40 10 IICBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccn4)o3)C(=O)NC2=S)cc1C ZINC000408993899 556913017 /nfs/dbraw/zinc/91/30/17/556913017.db2.gz XXZSOABPPDGRBE-SFQUDFHCSA-N 0 1 435.530 4.274 40 10 IICBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/C=C/c2ccc(N(C)C)cc2)C(=O)NC1=S ZINC000409098558 556954044 /nfs/dbraw/zinc/95/40/44/556954044.db2.gz PGJYJLWXOBVVDQ-BHAVQNJHSA-N 0 1 425.941 4.102 40 10 IICBMN CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cccc1OC ZINC000409245929 557027611 /nfs/dbraw/zinc/02/76/11/557027611.db2.gz AYZLPRVSYRRFGF-UESPBHMZSA-N 0 1 444.940 4.357 40 10 IICBMN CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c(OCC)c1 ZINC000409338271 557073443 /nfs/dbraw/zinc/07/34/43/557073443.db2.gz GXUPGKCMOYIUFG-MHWRWJLKSA-N 0 1 434.564 4.092 40 10 IICBMN COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C)C(=O)NC2=S)cc1 ZINC000208448213 557087667 /nfs/dbraw/zinc/08/76/67/557087667.db2.gz DFUKVDXNZYIFMP-DEDYPNTBSA-N 0 1 447.560 4.158 40 10 IICBMN CCOc1cccc(N2C(=O)C(=Cc3ccc(N4CCCCC4)o3)C(=O)NC2=S)c1 ZINC000059138119 557816320 /nfs/dbraw/zinc/81/63/20/557816320.db2.gz NQZNNKPRCVCKMA-NBVRZTHBSA-N 0 1 425.510 4.340 40 10 IICBMN CC[C@H](C)Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1OC ZINC000033383371 569259125 /nfs/dbraw/zinc/25/91/25/569259125.db2.gz QVLRZCHGIOOJNY-HNEYUBDGSA-N 0 1 445.313 4.096 40 10 IICBMN CC[C@@H](C)Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1OC ZINC000033383369 569259231 /nfs/dbraw/zinc/25/92/31/569259231.db2.gz QVLRZCHGIOOJNY-VVBXCHJUSA-N 0 1 445.313 4.096 40 10 IICBMN