smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc(Cl)c([N+](=O)[O-])c3)C2=N)S1 ZINC000041083344 519895060 /nfs/dbraw/zinc/89/50/60/519895060.db2.gz MDRFWQWIMFHJDS-JBTBNTSXSA-N 0 0 442.888 4.458 40 10 IICBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(C)cc1 ZINC000041082498 520627486 /nfs/dbraw/zinc/62/74/86/520627486.db2.gz ZPKIVGXGJWGBAI-AYACGFHNSA-N 0 0 447.491 4.302 40 10 IICBRN COc1ccccc1C=C1SC(=S)N(CCC(=O)Nc2ccc(C(C)=O)cc2)C1=O ZINC000001164821 555663587 /nfs/dbraw/zinc/66/35/87/555663587.db2.gz YKFGVPVMKIOLLM-UYRXBGFRSA-N 0 0 440.546 4.128 40 10 IICBRN COC(=O)COc1c(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cccc1OC ZINC000408530272 555726636 /nfs/dbraw/zinc/72/66/36/555726636.db2.gz JURXONFVGNLPMF-SXGWCWSVSA-N 0 0 449.937 4.306 40 10 IICBRN COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2)cc1 ZINC000408572398 555916014 /nfs/dbraw/zinc/91/60/14/555916014.db2.gz GSDJYIRODABNGE-UNOMPAQXSA-N 0 0 442.562 4.322 40 10 IICBRN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC ZINC000408584475 555937285 /nfs/dbraw/zinc/93/72/85/555937285.db2.gz QGFCAWQYRMKGMU-CYVLTUHYSA-N 0 0 441.524 4.276 40 10 IICBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC)c(OC)c1 ZINC000408588264 555938855 /nfs/dbraw/zinc/93/88/55/555938855.db2.gz VJNKFBQZUXFWDG-ZHZULCJRSA-N 0 0 437.492 4.370 40 10 IICBRN CCc1ccccc1NC(=O)CN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S ZINC000008819367 556219245 /nfs/dbraw/zinc/21/92/45/556219245.db2.gz VJZSRKODVZEDTN-UNOMPAQXSA-N 0 0 442.562 4.106 40 10 IICBRN O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(CCc2ccccc2)C1=O ZINC000009188652 556251364 /nfs/dbraw/zinc/25/13/64/556251364.db2.gz KILAHOIKMKLBDG-NXVVXOECSA-N 0 0 445.363 4.215 40 10 IICBRN CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1I ZINC000009322979 556281147 /nfs/dbraw/zinc/28/11/47/556281147.db2.gz QQGBEZPMDNEKBF-WJDWOHSUSA-N 0 0 432.261 4.496 40 10 IICBRN COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000032109963 556530352 /nfs/dbraw/zinc/53/03/52/556530352.db2.gz XWMZUBFJXUDDHJ-RQZCQDPDSA-N 0 0 434.876 4.173 40 10 IICBRN Cc1cccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N(c4ccccc4)O[C@@H]3C2=O)c1 ZINC000101004931 556634716 /nfs/dbraw/zinc/63/47/16/556634716.db2.gz VVTKWUUSERNDRC-SGNDLWITSA-N 0 0 427.504 4.112 40 10 IICBRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@@H]3C2=O)cc1 ZINC000101178357 556651525 /nfs/dbraw/zinc/65/15/25/556651525.db2.gz PWGSGXKGZUSYKQ-VXNXHJTFSA-N 0 0 444.487 4.232 40 10 IICBRN O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000408883640 556877432 /nfs/dbraw/zinc/87/74/32/556877432.db2.gz QOKCOHHFJGYVSI-UHFFFAOYSA-N 0 0 441.723 4.140 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 ZINC000408895666 556880982 /nfs/dbraw/zinc/88/09/82/556880982.db2.gz VJURRMKAUAUEJD-YBEGLDIGSA-N 0 0 444.281 4.041 40 10 IICBRN CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC ZINC000408903137 556885746 /nfs/dbraw/zinc/88/57/46/556885746.db2.gz UWVWYJQRWGOKTH-LICLKQGHSA-N 0 0 428.872 4.097 40 10 IICBRN CCOc1c(Br)cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OC ZINC000408940386 556896590 /nfs/dbraw/zinc/89/65/90/556896590.db2.gz NWUUSBWXDYULHO-MHWRWJLKSA-N 0 0 443.297 4.298 40 10 IICBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OCC)cc3)C(C(=O)OC)=C2C)cc1 ZINC000409021957 556922755 /nfs/dbraw/zinc/92/27/55/556922755.db2.gz AXHGDQQYMJSWAI-QNGOZBTKSA-N 0 0 435.476 4.139 40 10 IICBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)C1=O ZINC000409044341 556930071 /nfs/dbraw/zinc/93/00/71/556930071.db2.gz BLKYXMDVQSZQOV-UDWIEESQSA-N 0 0 435.505 4.242 40 10 IICBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(OC)c1 ZINC000409147609 556973394 /nfs/dbraw/zinc/97/33/94/556973394.db2.gz XYSVDAFOBXQBMO-RQZCQDPDSA-N 0 0 448.953 4.212 40 10 IICBRN CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(=O)N3CCCCCC3)c21 ZINC000409148953 556974080 /nfs/dbraw/zinc/97/40/80/556974080.db2.gz UYBYORVVCCBGPO-UYRXBGFRSA-N 0 0 441.622 4.437 40 10 IICBRN CCOc1ccc(C[C@H]2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(OCC)c1 ZINC000409149731 556974494 /nfs/dbraw/zinc/97/44/94/556974494.db2.gz OTRODYWQZZLSTA-HXUWFJFHSA-N 0 0 431.579 4.464 40 10 IICBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C1=O ZINC000409202869 557001862 /nfs/dbraw/zinc/00/18/62/557001862.db2.gz STXWPHIGSJXWPS-MOSHPQCFSA-N 0 0 429.586 4.277 40 10 IICBRN CN(C)c1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc1 ZINC000409227077 557014438 /nfs/dbraw/zinc/01/44/38/557014438.db2.gz XIJUASRKAMPXPY-WOJGMQOQSA-N 0 0 445.338 4.434 40 10 IICBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c(C)n1-c1ccccn1 ZINC000409244581 557026666 /nfs/dbraw/zinc/02/66/66/557026666.db2.gz FVFHAZCSMFZKIN-UYRXBGFRSA-N 0 0 432.505 4.164 40 10 IICBRN COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)C1=O ZINC000409249810 557030087 /nfs/dbraw/zinc/03/00/87/557030087.db2.gz LQXPUXILBAUPQD-YBFXNURJSA-N 0 0 445.497 4.084 40 10 IICBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409338666 557073766 /nfs/dbraw/zinc/07/37/66/557073766.db2.gz NZKLUDPHSJIKKD-UNOMPAQXSA-N 0 0 442.562 4.242 40 10 IICBRN Cc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)SC2=S)cc1 ZINC000409348470 557076484 /nfs/dbraw/zinc/07/64/84/557076484.db2.gz SVXDKVXAOGXPQU-CPNJWEJPSA-N 0 0 441.534 4.146 40 10 IICBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 ZINC000100208076 557111599 /nfs/dbraw/zinc/11/15/99/557111599.db2.gz YPNITJORWMBNQH-UNOMPAQXSA-N 0 0 437.492 4.288 40 10 IICBRN Cc1c(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cccc1N(C)S(C)(=O)=O ZINC000260512432 557167805 /nfs/dbraw/zinc/16/78/05/557167805.db2.gz WPKAYSRLFKEDFH-PKOBYXMFSA-N 0 0 443.613 4.118 40 10 IICBRN CC(C)c1ccc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)c(Br)c1 ZINC000218875365 557219580 /nfs/dbraw/zinc/21/95/80/557219580.db2.gz SCYJJLRZROVMFF-UHFFFAOYSA-N 0 0 447.373 4.104 40 10 IICBRN CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC ZINC000111507860 557228786 /nfs/dbraw/zinc/22/87/86/557228786.db2.gz MTBCQAYPMOJHSU-WOJGMQOQSA-N 0 0 442.899 4.487 40 10 IICBRN C[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000219219260 557231585 /nfs/dbraw/zinc/23/15/85/557231585.db2.gz PLKFQIDBGGGSJN-IBGZPJMESA-N 0 0 441.597 4.089 40 10 IICBRN COc1cc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000219827402 557269159 /nfs/dbraw/zinc/26/91/59/557269159.db2.gz PSDALHOBNNXFIM-SJORKVTESA-N 0 0 427.501 4.096 40 10 IICBRN COCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)N1c2ccccc2C[C@@H]1C ZINC000013509918 557331719 /nfs/dbraw/zinc/33/17/19/557331719.db2.gz CYFZVWIHOBSJJG-INIZCTEOSA-N 0 0 425.529 4.406 40 10 IICBRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(N4CCCC4)cc3)c2)c1 ZINC000106159291 557333288 /nfs/dbraw/zinc/33/32/88/557333288.db2.gz SBPOAVUYJHTWSB-UHFFFAOYSA-N 0 0 449.576 4.326 40 10 IICBRN CCOc1cc(N2CCOCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2SC[C@@H](CC)N21 ZINC000222681320 557373192 /nfs/dbraw/zinc/37/31/92/557373192.db2.gz OBBXZXBQOCMUKE-MQNAVGNWSA-N 0 0 438.597 4.296 40 10 IICBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C ZINC000222747292 557382440 /nfs/dbraw/zinc/38/24/40/557382440.db2.gz VHCPEATUSKWHSG-RTWAWAEBSA-N 0 0 437.525 4.008 40 10 IICBRN CC(C)[C@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2cccs2)SC1=S ZINC000033582644 557413957 /nfs/dbraw/zinc/41/39/57/557413957.db2.gz DJNVJABGFYWXHZ-XUDLPTGHSA-N 0 0 446.619 4.038 40 10 IICBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000014406755 557443901 /nfs/dbraw/zinc/44/39/01/557443901.db2.gz HEKDLDOUTUHFPK-YVLHZVERSA-N 0 0 444.281 4.041 40 10 IICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1O ZINC000223310346 557457689 /nfs/dbraw/zinc/45/76/89/557457689.db2.gz LJMSHESNMDDLKS-NTUVXCKYSA-N 0 0 448.592 4.346 40 10 IICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cc(C)ccn1 ZINC000223315585 557458235 /nfs/dbraw/zinc/45/82/35/557458235.db2.gz QDZQMMTZOUETNQ-IEXUWNMDSA-N 0 0 447.608 4.344 40 10 IICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(C)cn1 ZINC000223316001 557458459 /nfs/dbraw/zinc/45/84/59/557458459.db2.gz AKZBQRUGYJKXHY-WDJPJFJCSA-N 0 0 447.608 4.344 40 10 IICBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 ZINC000223327788 557459533 /nfs/dbraw/zinc/45/95/33/557459533.db2.gz PJWQKIBCFCJRNW-OYDLWJJNSA-N 0 0 448.592 4.341 40 10 IICBRN CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C ZINC000223615800 557492236 /nfs/dbraw/zinc/49/22/36/557492236.db2.gz BSBIAEAANNTLQB-ZEQRLZLVSA-N 0 0 434.609 4.406 40 10 IICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(C)c1C ZINC000223620207 557492732 /nfs/dbraw/zinc/49/27/32/557492732.db2.gz IPFZXDCSKFOXBH-BJKOFHAPSA-N 0 0 434.609 4.461 40 10 IICBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C ZINC000223650275 557497131 /nfs/dbraw/zinc/49/71/31/557497131.db2.gz HHZSYJSKERJTBV-ZEQRLZLVSA-N 0 0 448.592 4.333 40 10 IICBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C ZINC000223687049 557502396 /nfs/dbraw/zinc/50/23/96/557502396.db2.gz OCINIGGKFGVGMO-ZEQRLZLVSA-N 0 0 448.592 4.333 40 10 IICBRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccc(N(C)C)cc3)ccc2C)cc1 ZINC000224100946 557560901 /nfs/dbraw/zinc/56/09/01/557560901.db2.gz VYJGVVGVYCAURR-UHFFFAOYSA-N 0 0 437.565 4.100 40 10 IICBRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000224595738 557628841 /nfs/dbraw/zinc/62/88/41/557628841.db2.gz CXVYDSVXTXPYSK-ULJHMMPZSA-N 0 0 429.520 4.276 40 10 IICBRN S=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(Br)c(Cl)c1 ZINC000225420644 557721262 /nfs/dbraw/zinc/72/12/62/557721262.db2.gz IEJPWJMZNVUSGB-UHFFFAOYSA-N 0 0 440.794 4.426 40 10 IICBRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000225838887 557783723 /nfs/dbraw/zinc/78/37/23/557783723.db2.gz ARAAEEOKRSXCFX-CQSZACIVSA-N 0 0 433.961 4.011 40 10 IICBRN CN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)N(C)C1=S ZINC000059140011 557817188 /nfs/dbraw/zinc/81/71/88/557817188.db2.gz LVIKRGIUALMFOJ-UHFFFAOYSA-N 0 0 435.332 4.171 40 10 IICBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cccc(OC)c1O ZINC000059959327 557828089 /nfs/dbraw/zinc/82/80/89/557828089.db2.gz QGKIHLQQPLMFRH-YBEGLDIGSA-N 0 0 444.281 4.041 40 10 IICBRN CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)ccc1N1CCOCC1 ZINC000260755840 557853260 /nfs/dbraw/zinc/85/32/60/557853260.db2.gz BVMRVIINSYDKQB-OFAXGOBFSA-N 0 0 438.597 4.296 40 10 IICBRN CCOC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000001239056 568788280 /nfs/dbraw/zinc/78/82/80/568788280.db2.gz YZWSXCZHKCEIFU-JPVKTXQWSA-N 0 0 427.547 4.418 40 10 IICBRN CCOC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)SC1=S ZINC000001277117 568788313 /nfs/dbraw/zinc/78/83/13/568788313.db2.gz VDIDVHBLAKDJNZ-UNOMPAQXSA-N 0 0 443.546 4.039 40 10 IICBRN O=C1C(=CNCCc2cccnc2)C(c2ccccc2)=NN1c1nc2ccccc2s1 ZINC000028632228 568864551 /nfs/dbraw/zinc/86/45/51/568864551.db2.gz OKVPPZFMZAEWDM-KNTRCKAVSA-N 0 0 425.517 4.158 40 10 IICBRN N=C1/C(=C/c2ccccc2OCc2ccccc2)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000001828073 568915830 /nfs/dbraw/zinc/91/58/30/568915830.db2.gz YQGBREQHKUSBEC-ZTOJTDSYSA-N 0 0 430.411 4.447 40 10 IICBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(N4CCCCC4)cc3)C2=O)o1 ZINC000034848966 569260087 /nfs/dbraw/zinc/26/00/87/569260087.db2.gz UIFNUHLWNYSISP-CPNJWEJPSA-N 0 0 426.494 4.293 40 10 IICBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1Cl ZINC000108055787 569260806 /nfs/dbraw/zinc/26/08/06/569260806.db2.gz SNAVWQWNNRQDJK-VCHYOVAHSA-N 0 0 445.928 4.090 40 10 IICBRN CCCCN1c2nc3ccccc3n2[C@@H](c2ccc(N(C)C)cc2)[C@@H](C(=O)OCC)C1=O ZINC000020638388 520600863 /nfs/dbraw/zinc/60/08/63/520600863.db2.gz HBICVMPCZMERBY-YADHBBJMSA-N 0 0 434.540 4.018 40 10 IICBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccccc1 ZINC000041082579 520627324 /nfs/dbraw/zinc/62/73/24/520627324.db2.gz GYIKMVOXMXXNQT-VDCIBEPTSA-N 0 0 447.491 4.384 40 10 IICBRN COc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)cc1 ZINC000041077889 523335470 /nfs/dbraw/zinc/33/54/70/523335470.db2.gz XYQKWSYDAVBXGK-IVTJCWFQSA-N 0 0 445.479 4.292 40 10 IICBRN COc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1Cl ZINC000041083211 523335713 /nfs/dbraw/zinc/33/57/13/523335713.db2.gz BCYHKQOBKNOYKT-UJADIJFVSA-N 0 0 427.917 4.414 40 10 IICBRN COc1ccc(CCN2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1OC ZINC000012274954 523943609 /nfs/dbraw/zinc/94/36/09/523943609.db2.gz XXHKGBUWHTYPHD-PDGQHHTCSA-N 0 0 430.507 4.056 40 10 IICBRN Cc1cc(/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)c(C)n1Cc1ccccc1 ZINC000041084865 526083762 /nfs/dbraw/zinc/08/37/62/526083762.db2.gz IELAWQUWLWXPHU-OEMPCWLZSA-N 0 0 446.580 4.216 40 10 IICBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000001098774 555628398 /nfs/dbraw/zinc/62/83/98/555628398.db2.gz ZUVDSLWWQFEICG-KEBDBYFISA-N 0 0 433.439 4.055 40 10 IICBRN COc1ccc(N2C[C@H](C(=O)Nc3ccc(OC)cc3-n3c(C)ccc3C)CC2=O)cc1 ZINC000408707948 556114184 /nfs/dbraw/zinc/11/41/84/556114184.db2.gz 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ZINC000408796007 556857115 /nfs/dbraw/zinc/85/71/15/556857115.db2.gz NXISRHHNXSHVSE-ATVHPVEESA-N 0 0 428.282 4.335 40 10 IICBRN O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000408883605 556877486 /nfs/dbraw/zinc/87/74/86/556877486.db2.gz VAQOPWKUAJLQSN-UHFFFAOYSA-N 0 0 441.723 4.140 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000408893234 556881755 /nfs/dbraw/zinc/88/17/55/556881755.db2.gz LGFNDCIGDCGBKG-PDGQHHTCSA-N 0 0 428.282 4.335 40 10 IICBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1O ZINC000408903303 556885802 /nfs/dbraw/zinc/88/58/02/556885802.db2.gz XCEHODDUZIOEOT-OQLLNIDSSA-N 0 0 448.260 4.202 40 10 IICBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 ZINC000408998807 556913599 /nfs/dbraw/zinc/91/35/99/556913599.db2.gz SGFKMJYEHBCPRP-VUFYJBQKSA-N 0 0 437.492 4.146 40 10 IICBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(OC)c1OC ZINC000409034827 556928182 /nfs/dbraw/zinc/92/81/82/556928182.db2.gz OHPWLNWCUZYBPE-BJMVGYQFSA-N 0 0 442.340 4.214 40 10 IICBRN CCN1C(=O)/C(=C/c2cn(CC(=O)NCc3ccccc3)c3ccccc23)SC1=S ZINC000409125095 556964705 /nfs/dbraw/zinc/96/47/05/556964705.db2.gz CADITNQNQQOVFW-NDENLUEZSA-N 0 0 435.574 4.179 40 10 IICBRN Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 ZINC000409126502 556965440 /nfs/dbraw/zinc/96/54/40/556965440.db2.gz BNSAGFIXQWFZCA-QNGOZBTKSA-N 0 0 442.512 4.086 40 10 IICBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(CC)C(=S)N3C)c2C)cc1 ZINC000409147742 556973304 /nfs/dbraw/zinc/97/33/04/556973304.db2.gz NNGFUJSPVBMQLO-QNGOZBTKSA-N 0 0 439.581 4.471 40 10 IICBRN COCCN1C(=O)[C@H](Cc2ccc(OCc3ccc(F)cc3)c(Cl)c2)SC1=S ZINC000409145330 556976750 /nfs/dbraw/zinc/97/67/50/556976750.db2.gz NSYBPVVTDNPPFZ-SFHVURJKSA-N 0 0 439.961 4.476 40 10 IICBRN COc1ccc(C[C@H]2SC(=S)N(CCc3ccccc3)C2=O)cc1Br ZINC000409146396 556977246 /nfs/dbraw/zinc/97/72/46/556977246.db2.gz SPFQWJNQCWLCJG-QGZVFWFLSA-N 0 0 436.396 4.472 40 10 IICBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1Cl ZINC000409180203 556988936 /nfs/dbraw/zinc/98/89/36/556988936.db2.gz PYGSDDHRRLHYRD-VCHYOVAHSA-N 0 0 429.929 4.389 40 10 IICBRN Cc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)cc1 ZINC000409207959 556996996 /nfs/dbraw/zinc/99/69/96/556996996.db2.gz DIXGSUZLZDVDQP-HMAPJEAMSA-N 0 0 449.576 4.256 40 10 IICBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409215510 557010407 /nfs/dbraw/zinc/01/04/07/557010407.db2.gz AEJGAYUSIGMEAR-BKUYFWCQSA-N 0 0 448.910 4.235 40 10 IICBRN CCN1C(=O)C(=Cc2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N(CC)C1=S ZINC000409240951 557019852 /nfs/dbraw/zinc/01/98/52/557019852.db2.gz VROSDFVRRZLVJD-UHFFFAOYSA-N 0 0 435.524 4.208 40 10 IICBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000409242403 557032396 /nfs/dbraw/zinc/03/23/96/557032396.db2.gz UQWQVNSEZLXXDT-SRZZPIQSSA-N 0 0 429.476 4.224 40 10 IICBRN CCCN1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)SC1=S ZINC000409340013 557067509 /nfs/dbraw/zinc/06/75/09/557067509.db2.gz ONYYLOCCLKBJAQ-YBEGLDIGSA-N 0 0 431.495 4.402 40 10 IICBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(C)=O ZINC000409338879 557074105 /nfs/dbraw/zinc/07/41/05/557074105.db2.gz QCPGFPVGYQOXFJ-ZDLGFXPLSA-N 0 0 444.490 4.325 40 10 IICBRN COc1cccc(/C=C2/SC(=S)N(C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409347683 557075837 /nfs/dbraw/zinc/07/58/37/557075837.db2.gz NBJNAJSUPUHVAC-NVNXTCNLSA-N 0 0 447.450 4.135 40 10 IICBRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(N(C)C)cc3)C2=O)c(C)c1 ZINC000097951967 557178268 /nfs/dbraw/zinc/17/82/68/557178268.db2.gz OXOJCPIGDKKQKH-SDHSZQHLSA-N 0 0 441.531 4.421 40 10 IICBRN O=C(NN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000110422836 557210857 /nfs/dbraw/zinc/21/08/57/557210857.db2.gz VPXBISXHJALXHZ-CAOOACKPSA-N 0 0 443.550 4.044 40 10 IICBRN COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(Br)cc1 ZINC000112295660 557239680 /nfs/dbraw/zinc/23/96/80/557239680.db2.gz UACWUOAPMMRWLY-UNOMPAQXSA-N 0 0 446.276 4.240 40 10 IICBRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1N(C)S(C)(=O)=O ZINC000222464087 557341562 /nfs/dbraw/zinc/34/15/62/557341562.db2.gz VYWPFJXGNADCHF-MJGOQNOKSA-N 0 0 443.613 4.118 40 10 IICBRN CCN1C(=O)C(=Cc2cc3c(cc2C)N(CC)C(C)(C)C=C3C)C(=O)N(CC)C1=S ZINC000113820675 557376923 /nfs/dbraw/zinc/37/69/23/557376923.db2.gz RFEGLQAVKYMHNE-UHFFFAOYSA-N 0 0 425.598 4.396 40 10 IICBRN O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCCC[C@H]1c1cccnc1 ZINC000033539656 557409445 /nfs/dbraw/zinc/40/94/45/557409445.db2.gz WHDBAOTXDSVWFQ-KTZOAPACSA-N 0 0 429.592 4.098 40 10 IICBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(OC)c2)c1C ZINC000223010889 557415276 /nfs/dbraw/zinc/41/52/76/557415276.db2.gz GYSAKVJVZPTNHC-XZOQPEGZSA-N 0 0 436.581 4.117 40 10 IICBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC ZINC000014406591 557443562 /nfs/dbraw/zinc/44/35/62/557443562.db2.gz MNQXNJTYACAMKW-RGEXLXHISA-N 0 0 437.492 4.288 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cc(OC)ccc1OC ZINC000014413775 557445378 /nfs/dbraw/zinc/44/53/78/557445378.db2.gz OVGIAALZHIPOGG-YBEGLDIGSA-N 0 0 431.847 4.374 40 10 IICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(O)cc1 ZINC000223310600 557457693 /nfs/dbraw/zinc/45/76/93/557457693.db2.gz PXIPAMRCSLBGCL-NKKJXINNSA-N 0 0 448.592 4.346 40 10 IICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(Cl)c1C ZINC000223582257 557488624 /nfs/dbraw/zinc/48/86/24/557488624.db2.gz XGFFNYDFMYLVRY-FCHUYYIVSA-N 0 0 441.000 4.416 40 10 IICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1c(C)cc(C)cc1C ZINC000223582037 557488660 /nfs/dbraw/zinc/48/86/60/557488660.db2.gz QZPZOBKHBQTBKN-LADGPHEKSA-N 0 0 434.609 4.379 40 10 IICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1Cl ZINC000223616680 557492273 /nfs/dbraw/zinc/49/22/73/557492273.db2.gz ILOJPUKLDVVXIQ-FGZHOGPDSA-N 0 0 441.000 4.497 40 10 IICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(C)c1C ZINC000223620125 557492741 /nfs/dbraw/zinc/49/27/41/557492741.db2.gz IPFZXDCSKFOXBH-DNQXCXABSA-N 0 0 434.609 4.461 40 10 IICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1c(C)cccc1C ZINC000223620590 557493036 /nfs/dbraw/zinc/49/30/36/557493036.db2.gz CNCAMGWHUMTWCA-VWNXMTODSA-N 0 0 434.609 4.461 40 10 IICBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000223650607 557497353 /nfs/dbraw/zinc/49/73/53/557497353.db2.gz GDQJWDNVAULQBO-RPWUZVMVSA-N 0 0 448.592 4.333 40 10 IICBRN C[C@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(N2CCCCC2)cc1 ZINC000224383372 557599685 /nfs/dbraw/zinc/59/96/85/557599685.db2.gz ICXIOWMIMAFQSF-IBGZPJMESA-N 0 0 441.597 4.098 40 10 IICBRN CCOc1ccc(-c2cnc(CCC(=O)N3CCN(c4ccc(OC)cc4)CC3)o2)cc1 ZINC000224861325 557659629 /nfs/dbraw/zinc/65/96/29/557659629.db2.gz QWOXDPXHUCBJOU-UHFFFAOYSA-N 0 0 435.524 4.030 40 10 IICBRN C[C@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(N2CCCCC2)cc1 ZINC000225664548 557759093 /nfs/dbraw/zinc/75/90/93/557759093.db2.gz ILXLZLUVLWWNKZ-KRWDZBQOSA-N 0 0 446.642 4.120 40 10 IICBRN Cc1cc(N2C[C@H](C)C[C@H](C)C2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225956097 557796892 /nfs/dbraw/zinc/79/68/92/557796892.db2.gz ZQXRVIFMKLKDKC-HDICACEKSA-N 0 0 438.645 4.354 40 10 IICBRN Cc1ccc(Cl)c2c1N[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@H]1CC=C[C@H]21 ZINC000033932958 557810254 /nfs/dbraw/zinc/81/02/54/557810254.db2.gz SUCJNZHZRLXGME-YDHSSHFGSA-N 0 0 444.984 4.496 40 10 IICBRN COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000035200361 569260221 /nfs/dbraw/zinc/26/02/21/569260221.db2.gz KFTBYJDQZHCXJK-QPHMKDBKSA-N 0 0 434.536 4.254 40 10 IICBRN CCCc1nn2c(/C=C3/C(=N)N4N=C(CC)SC4=NC3=O)c(-c3ccccc3)nc2s1 ZINC000041074326 569526339 /nfs/dbraw/zinc/52/63/39/569526339.db2.gz DBDSRDGBQNNABS-IGYGEYERSA-N 0 0 449.565 4.439 40 10 IICBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cc(C)ccn1 ZINC000223315667 193965750 /nfs/dbraw/zinc/96/57/50/193965750.db2.gz QDZQMMTZOUETNQ-IGKWTDBASA-N 0 0 447.608 4.344 40 10 IICBRN CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000020802755 521091629 /nfs/dbraw/zinc/09/16/29/521091629.db2.gz KOHXXMVTZUMICC-XZOQPEGZSA-N 0 0 448.567 4.264 40 10 IICBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccccc1Cl ZINC000041078429 521957187 /nfs/dbraw/zinc/95/71/87/521957187.db2.gz WNWZJVHVSOMMKL-WAPYETIASA-N 0 0 437.839 4.018 40 10 IICBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(C)cc1C ZINC000041078527 521959858 /nfs/dbraw/zinc/95/98/58/521959858.db2.gz DDVLFBJXEWYUKK-ATUMBRMBSA-N 0 0 447.491 4.220 40 10 IICBRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000022532023 526683945 /nfs/dbraw/zinc/68/39/45/526683945.db2.gz BGTAUNQRUSEAQT-UHFFFAOYSA-N 0 0 441.575 4.406 40 10 IICBRN COC(=O)c1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 ZINC000003146253 536645190 /nfs/dbraw/zinc/64/51/90/536645190.db2.gz GIBAXSNXQDMSTM-UHFFFAOYSA-N 0 0 442.496 4.222 40 10 IICBRN CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)c(Br)c2)S1 ZINC000001149164 555655569 /nfs/dbraw/zinc/65/55/69/555655569.db2.gz FQOQXFLHXROERE-VCHYOVAHSA-N 0 0 445.338 4.443 40 10 IICBRN CCN(CC)S(=O)(=O)c1ccc(NC=C2C(=O)N(c3cccc(C)c3)N=C2C)c(C)c1 ZINC000408529290 555723011 /nfs/dbraw/zinc/72/30/11/555723011.db2.gz HJXFNUDPVYRMOA-QNGOZBTKSA-N 0 0 440.569 4.052 40 10 IICBRN CCCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(OC)cc2)C1=O ZINC000408601249 555969822 /nfs/dbraw/zinc/96/98/22/555969822.db2.gz JIQNKVPOYVDGAG-QGOAFFKASA-N 0 0 428.535 4.030 40 10 IICBRN COc1ccc(N2CCN(C(=O)C(=O)c3c(-c4ccccc4)cc4ccccn43)CC2)cc1 ZINC000408637280 556020203 /nfs/dbraw/zinc/02/02/03/556020203.db2.gz ZKMCAYIGZYQQGQ-UHFFFAOYSA-N 0 0 439.515 4.146 40 10 IICBRN O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1cccnc1 ZINC000006456845 556088907 /nfs/dbraw/zinc/08/89/07/556088907.db2.gz DNWWHNKBBQHULR-XNTDXEJSSA-N 0 0 448.367 4.074 40 10 IICBRN COc1ccc(N2C[C@@H](C(=O)Nc3ccc(OC)cc3-n3c(C)ccc3C)CC2=O)cc1 ZINC000408707950 556114139 /nfs/dbraw/zinc/11/41/39/556114139.db2.gz MUKBBOOALHFAFA-SFHVURJKSA-N 0 0 433.508 4.103 40 10 IICBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(F)c3)C2=O)c1 ZINC000008819164 556218934 /nfs/dbraw/zinc/21/89/34/556218934.db2.gz JGMZBAGGLWIULJ-PDGQHHTCSA-N 0 0 430.526 4.454 40 10 IICBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3OC)SC2=S)c(OC)c1 ZINC000008821588 556223096 /nfs/dbraw/zinc/22/30/96/556223096.db2.gz ZBUYQCBEDYXXIN-YVLHZVERSA-N 0 0 447.534 4.135 40 10 IICBRN COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1OC ZINC000012032417 556388883 /nfs/dbraw/zinc/38/88/83/556388883.db2.gz BDXTXTRWJJYKOC-ODLFYWEKSA-N 0 0 442.562 4.161 40 10 IICBRN Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408781426 556855953 /nfs/dbraw/zinc/85/59/53/556855953.db2.gz ADPOKXDGMVNHDZ-JJFYIABZSA-N 0 0 444.516 4.389 40 10 IICBRN O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408875929 556876576 /nfs/dbraw/zinc/87/65/76/556876576.db2.gz MLICKGYYELVEIJ-UHFFFAOYSA-N 0 0 441.723 4.140 40 10 IICBRN O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O)Nc1ccc(F)cc1 ZINC000408877836 556877142 /nfs/dbraw/zinc/87/71/42/556877142.db2.gz XGTJVNCOSGDEJC-UYRXBGFRSA-N 0 0 425.485 4.101 40 10 IICBRN O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)ccc1O ZINC000408885513 556877962 /nfs/dbraw/zinc/87/79/62/556877962.db2.gz BFVQJFDJHLQPCN-DEDYPNTBSA-N 0 0 448.862 4.291 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(OC)c1O ZINC000408893975 556879839 /nfs/dbraw/zinc/87/98/39/556879839.db2.gz PGVSCYWQMPCGPV-WJDWOHSUSA-N 0 0 444.281 4.041 40 10 IICBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(Br)ccc1OC ZINC000408892793 556881396 /nfs/dbraw/zinc/88/13/96/556881396.db2.gz JODQJCDRZRPOAS-ATVHPVEESA-N 0 0 434.330 4.463 40 10 IICBRN Cc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000409070630 556944994 /nfs/dbraw/zinc/94/49/94/556944994.db2.gz DBEHLUMJLRRULF-JAIQZWGSSA-N 0 0 446.334 4.231 40 10 IICBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000409094505 556950035 /nfs/dbraw/zinc/95/00/35/556950035.db2.gz FPJAHKPNQASQRO-LPYMAVHISA-N 0 0 446.482 4.073 40 10 IICBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000409106761 556959127 /nfs/dbraw/zinc/95/91/27/556959127.db2.gz OVXAIRVDEHIYNB-SRZZPIQSSA-N 0 0 434.427 4.234 40 10 IICBRN COc1cccc(-c2nc3c(s2)CN(Cc2ccc(N4CCOCC4)c(F)c2)CC3)c1 ZINC000072392029 556963026 /nfs/dbraw/zinc/96/30/26/556963026.db2.gz UBPSSTKBNPITKH-UHFFFAOYSA-N 0 0 439.556 4.353 40 10 IICBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)SC1=S ZINC000409138756 556971082 /nfs/dbraw/zinc/97/10/82/556971082.db2.gz HQALMWNXODMCAV-ZHZULCJRSA-N 0 0 427.595 4.152 40 10 IICBRN CN1C(=O)/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)NC1=S ZINC000409141307 556972454 /nfs/dbraw/zinc/97/24/54/556972454.db2.gz NARUHDACOSMAPM-BKUYFWCQSA-N 0 0 425.513 4.099 40 10 IICBRN CCCNC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O ZINC000409200160 556999539 /nfs/dbraw/zinc/99/95/39/556999539.db2.gz HGLKILGSVLSTET-WQRHYEAKSA-N 0 0 431.945 4.310 40 10 IICBRN COC(=O)CN1C(=O)/C(=C/c2cn(Cc3cccc(F)c3)c3ccccc23)SC1=S ZINC000409203805 557002582 /nfs/dbraw/zinc/00/25/82/557002582.db2.gz YCUZCEWDFPVXNJ-GRSHGNNSSA-N 0 0 440.521 4.203 40 10 IICBRN COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2ccccc2Cl)C1=O ZINC000409221626 557017147 /nfs/dbraw/zinc/01/71/47/557017147.db2.gz TZMPDQALNAPAAY-NDENLUEZSA-N 0 0 444.940 4.422 40 10 IICBRN CCN1C(=O)C(=Cc2ccc(-c3ccc(C)cc3Br)o2)C(=O)N(CC)C1=S ZINC000409240152 557021192 /nfs/dbraw/zinc/02/11/92/557021192.db2.gz ROZKAIDRKGYXCJ-UHFFFAOYSA-N 0 0 447.354 4.396 40 10 IICBRN CCc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2OC)cc1 ZINC000409331545 557065345 /nfs/dbraw/zinc/06/53/45/557065345.db2.gz NQJSWAKUOGQNKT-XDHOZWIPSA-N 0 0 442.562 4.106 40 10 IICBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409347514 557075931 /nfs/dbraw/zinc/07/59/31/557075931.db2.gz MLDALEWICOISCB-ODLFYWEKSA-N 0 0 442.562 4.161 40 10 IICBRN COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 ZINC000409367364 557088535 /nfs/dbraw/zinc/08/85/35/557088535.db2.gz UUEQABNTDKEVSV-WQRHYEAKSA-N 0 0 425.506 4.303 40 10 IICBRN CCOc1ccc(C=C2C(=O)N(c3cccc(C(C)=O)c3)C(C)=C2C(=O)OC)cc1OC ZINC000409382932 557091511 /nfs/dbraw/zinc/09/15/11/557091511.db2.gz YIZUBRBGOLMRBM-NDENLUEZSA-N 0 0 435.476 4.174 40 10 IICBRN CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)SC1=S ZINC000409383119 557091534 /nfs/dbraw/zinc/09/15/34/557091534.db2.gz RRUGJWNJVIMFEY-WQRHYEAKSA-N 0 0 446.525 4.073 40 10 IICBRN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000106694385 557156049 /nfs/dbraw/zinc/15/60/49/557156049.db2.gz ATDGWHUTRTYRNQ-ODLFYWEKSA-N 0 0 426.498 4.317 40 10 IICBRN CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000095630006 557159588 /nfs/dbraw/zinc/15/95/88/557159588.db2.gz PHMDQFHXSRWGJF-VJBWXMMDSA-N 0 0 447.922 4.457 40 10 IICBRN Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1N(C)S(C)(=O)=O ZINC000260512323 557167492 /nfs/dbraw/zinc/16/74/92/557167492.db2.gz VYWPFJXGNADCHF-IEBWSBKVSA-N 0 0 443.613 4.118 40 10 IICBRN Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000218579446 557208322 /nfs/dbraw/zinc/20/83/22/557208322.db2.gz OAIXIIBBWNODLC-SFHVURJKSA-N 0 0 429.586 4.094 40 10 IICBRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1NS(C)(=O)=O ZINC000218587743 557208939 /nfs/dbraw/zinc/20/89/39/557208939.db2.gz PMAHJQZKZGLQMI-SFHVURJKSA-N 0 0 429.586 4.094 40 10 IICBRN CN(C)c1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000110422818 557210828 /nfs/dbraw/zinc/21/08/28/557210828.db2.gz NMLWTSXVVCPORR-VXLYETTFSA-N 0 0 441.622 4.201 40 10 IICBRN CCN(c1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1)S(C)(=O)=O ZINC000218781152 557215594 /nfs/dbraw/zinc/21/55/94/557215594.db2.gz QKYMQPJHMSTAGC-LJQANCHMSA-N 0 0 443.613 4.200 40 10 IICBRN CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1)S(C)(=O)=O ZINC000218781072 557215680 /nfs/dbraw/zinc/21/56/80/557215680.db2.gz QKYMQPJHMSTAGC-IBGZPJMESA-N 0 0 443.613 4.200 40 10 IICBRN COc1ccc(CNC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 ZINC000112291480 557238907 /nfs/dbraw/zinc/23/89/07/557238907.db2.gz UWYBEEDJMPQAOB-QJOMJCCJSA-N 0 0 442.475 4.418 40 10 IICBRN COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(Br)cc1 ZINC000112290083 557238988 /nfs/dbraw/zinc/23/89/88/557238988.db2.gz LVZGSMCNNCIVOL-UYRXBGFRSA-N 0 0 428.286 4.101 40 10 IICBRN CCN1C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)SC1=S ZINC000113834099 557307610 /nfs/dbraw/zinc/30/76/10/557307610.db2.gz MFDHPCHHGZIZPV-WOJGMQOQSA-N 0 0 430.507 4.404 40 10 IICBRN COCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)N1c2ccccc2C[C@H]1C ZINC000013509921 557331605 /nfs/dbraw/zinc/33/16/05/557331605.db2.gz CYFZVWIHOBSJJG-MRXNPFEDSA-N 0 0 425.529 4.406 40 10 IICBRN C[C@@H](C(=O)Nc1ccc2oc(=O)ccc2c1)N1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000033548577 557410012 /nfs/dbraw/zinc/41/00/12/557410012.db2.gz NZHKEBGQYPZAGL-FHNWIRHTSA-N 0 0 436.514 4.021 40 10 IICBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000223011021 557415327 /nfs/dbraw/zinc/41/53/27/557415327.db2.gz KDDRWLDJCZLQPS-GOTSBHOMSA-N 0 0 436.581 4.117 40 10 IICBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000014406576 557443590 /nfs/dbraw/zinc/44/35/90/557443590.db2.gz KWHLVLRHTFJWFM-ATVHPVEESA-N 0 0 428.282 4.422 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 ZINC000014413778 557445353 /nfs/dbraw/zinc/44/53/53/557445353.db2.gz GMCPCNUPZVNZIO-DHDCSXOGSA-N 0 0 431.847 4.374 40 10 IICBRN CSc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1NC(=O)C(C)C ZINC000223315707 557458546 /nfs/dbraw/zinc/45/85/46/557458546.db2.gz PMNNINPXUPDGIZ-UHFFFAOYSA-N 0 0 447.626 4.082 40 10 IICBRN CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C ZINC000223583820 557488867 /nfs/dbraw/zinc/48/88/67/557488867.db2.gz HZFATXMHDNYRBG-ISKFKSNPSA-N 0 0 434.609 4.325 40 10 IICBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)cc1 ZINC000223615915 557492233 /nfs/dbraw/zinc/49/22/33/557492233.db2.gz OGODRHLPVZHSEC-RPWUZVMVSA-N 0 0 434.609 4.406 40 10 IICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cc(C)ccc1C ZINC000223620324 557493013 /nfs/dbraw/zinc/49/30/13/557493013.db2.gz WFPDZROUEJVTBR-DNQXCXABSA-N 0 0 434.609 4.461 40 10 IICBRN O=C(NCc1ccc(N2CCCCC2)cc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000223651931 557497578 /nfs/dbraw/zinc/49/75/78/557497578.db2.gz NYNCJOTUDPKAPT-MOHJPFBDSA-N 0 0 429.520 4.357 40 10 IICBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000223687241 557502305 /nfs/dbraw/zinc/50/23/05/557502305.db2.gz LTVVRXNQBDTEPS-ZEQRLZLVSA-N 0 0 448.592 4.333 40 10 IICBRN COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cccc(Br)c1 ZINC000019644228 557504443 /nfs/dbraw/zinc/50/44/43/557504443.db2.gz PUVQWXNYELPHKF-UNOMPAQXSA-N 0 0 446.276 4.240 40 10 IICBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2)c1C ZINC000223720816 557506061 /nfs/dbraw/zinc/50/60/61/557506061.db2.gz JPTAZNQOGQBOSS-RPWUZVMVSA-N 0 0 448.592 4.415 40 10 IICBRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223923089 557529536 /nfs/dbraw/zinc/52/95/36/557529536.db2.gz PVWHHORMNZTPIG-UHFFFAOYSA-N 0 0 449.576 4.408 40 10 IICBRN O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223923163 557529573 /nfs/dbraw/zinc/52/95/73/557529573.db2.gz XGNSXGWBUJKAGX-UHFFFAOYSA-N 0 0 435.549 4.018 40 10 IICBRN CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224991211 557674914 /nfs/dbraw/zinc/67/49/14/557674914.db2.gz AWISELYVFBQZHY-HSZRJFAPSA-N 0 0 445.629 4.011 40 10 IICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccc(C)cn1 ZINC000260909886 568628992 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448.547 4.094 40 10 IICBRN COc1cc(N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc(OC)c1OC ZINC000016195261 556589901 /nfs/dbraw/zinc/58/99/01/556589901.db2.gz GTETXRLEGIDARG-UHFFFAOYSA-N 0 0 440.327 4.373 40 10 IICBRN Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000016310461 556599351 /nfs/dbraw/zinc/59/93/51/556599351.db2.gz DMSXYRNPRRGAPO-UHFFFAOYSA-N 0 0 430.551 4.213 40 10 IICBRN COc1ccc(N2CCN(c3nc(C)c(Cc4cccc5ccccc54)c(=O)[nH]3)CC2)cc1 ZINC000016776782 556640429 /nfs/dbraw/zinc/64/04/29/556640429.db2.gz VLNNKCZYHTXJRI-UHFFFAOYSA-N 0 0 440.547 4.158 40 10 IICBRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2)c1 ZINC000018150657 556684929 /nfs/dbraw/zinc/68/49/29/556684929.db2.gz GQKFGSVHVUGZIS-UHFFFAOYSA-N 0 0 437.565 4.134 40 10 IICBRN CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 ZINC000260453145 556720128 /nfs/dbraw/zinc/72/01/28/556720128.db2.gz FJZDXXZYBTXPGK-OALUTQOASA-N 0 0 443.613 4.200 40 10 IICBRN COc1ccc(N2CCN([C@@H](c3cccs3)c3nnnn3C3CCCCC3)CC2)cc1 ZINC000001337522 556776847 /nfs/dbraw/zinc/77/68/47/556776847.db2.gz OMGFGENGDMKVQO-QFIPXVFZSA-N 0 0 438.601 4.160 40 10 IICBRN O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O)Nc1ccc(F)cc1 ZINC000408875093 556874494 /nfs/dbraw/zinc/87/44/94/556874494.db2.gz CWIQUPYXEAQNCZ-ZHZULCJRSA-N 0 0 439.512 4.491 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 ZINC000408893960 556879967 /nfs/dbraw/zinc/87/99/67/556879967.db2.gz OZPWUXDAHYTJPD-ODLFYWEKSA-N 0 0 437.492 4.206 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000408891726 556881188 /nfs/dbraw/zinc/88/11/88/556881188.db2.gz CDVWFOCNCDKVMR-SXGWCWSVSA-N 0 0 442.265 4.055 40 10 IICBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OC ZINC000408902823 556885572 /nfs/dbraw/zinc/88/55/72/556885572.db2.gz RSQRZUSYWPESKE-OQLLNIDSSA-N 0 0 448.260 4.115 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000408999325 556913683 /nfs/dbraw/zinc/91/36/83/556913683.db2.gz USTXXXDLRIDDDZ-BOPFTXTBSA-N 0 0 443.253 4.235 40 10 IICBRN CCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)c(Br)c2)NC1=S ZINC000409008377 556915867 /nfs/dbraw/zinc/91/58/67/556915867.db2.gz XPKNHOYMJORAGY-BOPFTXTBSA-N 0 0 431.355 4.414 40 10 IICBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1cccc(C)c1 ZINC000409018515 556919798 /nfs/dbraw/zinc/91/97/98/556919798.db2.gz WJYQCVDKOAGXLJ-OEAKJJBVSA-N 0 0 442.519 4.242 40 10 IICBRN COCCN1C(=O)/C(=C/c2cccn2-c2ccc(C)c(C)c2)C(=O)N(c2ccccc2)C1=O ZINC000409021171 556922050 /nfs/dbraw/zinc/92/20/50/556922050.db2.gz YOLBHZIHDZEPIK-QJOMJCCJSA-N 0 0 443.503 4.119 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000409056297 556934241 /nfs/dbraw/zinc/93/42/41/556934241.db2.gz CIVSOZAHYBNZNK-ZHZULCJRSA-N 0 0 445.471 4.440 40 10 IICBRN CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000409057692 556934981 /nfs/dbraw/zinc/93/49/81/556934981.db2.gz LTBQNLZIPYKOSR-HAHDFKILSA-N 0 0 436.552 4.420 40 10 IICBRN COCCN1C(=O)/C(=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C(C(=O)OC)=C1C ZINC000409059344 556936473 /nfs/dbraw/zinc/93/64/73/556936473.db2.gz MNHAVVYWGYUVHL-NDENLUEZSA-N 0 0 442.943 4.375 40 10 IICBRN CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCCC3)c3ccccc23)SC1=S ZINC000409138903 556971066 /nfs/dbraw/zinc/97/10/66/556971066.db2.gz JNCBVXZWGVSJPV-UYRXBGFRSA-N 0 0 427.595 4.265 40 10 IICBRN COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c(OC)c1 ZINC000409141105 556972401 /nfs/dbraw/zinc/97/24/01/556972401.db2.gz LZECIHFBXOJSAX-RQZCQDPDSA-N 0 0 448.953 4.212 40 10 IICBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)N2CCCCCC2)C1=O ZINC000409209903 557004361 /nfs/dbraw/zinc/00/43/61/557004361.db2.gz IBUHTUSROHTDBE-HKWRFOASSA-N 0 0 427.570 4.034 40 10 IICBRN NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409216731 557011731 /nfs/dbraw/zinc/01/17/31/557011731.db2.gz KWYHQCZVJJGQPO-VIZOYTHASA-N 0 0 439.345 4.263 40 10 IICBRN CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000409221890 557017133 /nfs/dbraw/zinc/01/71/33/557017133.db2.gz BKGFQMFVKHIKHV-RQZCQDPDSA-N 0 0 433.892 4.220 40 10 IICBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)c1C ZINC000409238214 557019707 /nfs/dbraw/zinc/01/97/07/557019707.db2.gz WGUQUFAOXYYGBR-HYARGMPZSA-N 0 0 443.503 4.282 40 10 IICBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)OC ZINC000409346068 557082318 /nfs/dbraw/zinc/08/23/18/557082318.db2.gz MNMHZKLDBMHFML-XDHOZWIPSA-N 0 0 443.546 4.351 40 10 IICBRN O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCOCC2)cc1 ZINC000216356807 557144101 /nfs/dbraw/zinc/14/41/01/557144101.db2.gz ABBNKNMDUPENNZ-UHFFFAOYSA-N 0 0 425.381 4.380 40 10 IICBRN Cc1c(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cccc1N(C)S(C)(=O)=O ZINC000260512413 557167908 /nfs/dbraw/zinc/16/79/08/557167908.db2.gz WPKAYSRLFKEDFH-HKUYNNGSSA-N 0 0 443.613 4.118 40 10 IICBRN CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)SC1=S ZINC000038203162 557208956 /nfs/dbraw/zinc/20/89/56/557208956.db2.gz LMKUVFXNCIMYHQ-GZTJUZNOSA-N 0 0 444.490 4.044 40 10 IICBRN COc1cc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000219827470 557269162 /nfs/dbraw/zinc/26/91/62/557269162.db2.gz PSDALHOBNNXFIM-IAGOWNOFSA-N 0 0 427.501 4.096 40 10 IICBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C ZINC000222747409 557382399 /nfs/dbraw/zinc/38/23/99/557382399.db2.gz VHCPEATUSKWHSG-SFTDATJTSA-N 0 0 437.525 4.008 40 10 IICBRN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccc2nonc21 ZINC000033538089 557408858 /nfs/dbraw/zinc/40/88/58/557408858.db2.gz TXMBCPTUVNTURE-XNTDXEJSSA-N 0 0 444.925 4.106 40 10 IICBRN O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CCCC[C@H]1c1cccnc1 ZINC000033542905 557409591 /nfs/dbraw/zinc/40/95/91/557409591.db2.gz BPOLYMDTYKKTPM-LPGQDOADSA-N 0 0 441.553 4.176 40 10 IICBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000223061792 557423758 /nfs/dbraw/zinc/42/37/58/557423758.db2.gz DUMFQMFCDCDSSU-FGZHOGPDSA-N 0 0 435.597 4.202 40 10 IICBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000223061684 557423760 /nfs/dbraw/zinc/42/37/60/557423760.db2.gz DUMFQMFCDCDSSU-YADHBBJMSA-N 0 0 435.597 4.202 40 10 IICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cc(C)ccn1 ZINC000223315625 557458440 /nfs/dbraw/zinc/45/84/40/557458440.db2.gz QDZQMMTZOUETNQ-WDJPJFJCSA-N 0 0 447.608 4.344 40 10 IICBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)cc21 ZINC000223565562 557486958 /nfs/dbraw/zinc/48/69/58/557486958.db2.gz UYGMVXZOQAFYJN-NHCUHLMSSA-N 0 0 443.016 4.332 40 10 IICBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C ZINC000223649878 557497104 /nfs/dbraw/zinc/49/71/04/557497104.db2.gz JVPLAJMZSPQOGR-XZOQPEGZSA-N 0 0 434.565 4.025 40 10 IICBRN COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCCSc1ccc(C)cc1 ZINC000019634151 557502570 /nfs/dbraw/zinc/50/25/70/557502570.db2.gz KZWXITXKHXTOIQ-JWGURIENSA-N 0 0 441.528 4.056 40 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ZINC000033387392 557807813 /nfs/dbraw/zinc/80/78/13/557807813.db2.gz AWXNYLOIODYDGG-KGENOOAVSA-N 0 0 429.432 4.447 40 10 IICBRN CN(C)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 ZINC000015674246 560230937 /nfs/dbraw/zinc/23/09/37/560230937.db2.gz SPEZHHAOXASHMC-MJGOQNOKSA-N 0 0 448.445 4.009 40 10 biogenic,in-vitro IICBRN CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)C(=CNc2ccccc2C)SC1=S ZINC000256055368 568663441 /nfs/dbraw/zinc/66/34/41/568663441.db2.gz DNBUDZANCZEBJK-OWBBTNHHSA-N 0 0 426.563 4.283 40 10 IICBRN CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)C(=CNc2cccc(C)c2)SC1=S ZINC000256055515 568663563 /nfs/dbraw/zinc/66/35/63/568663563.db2.gz JMTPVDXMGNKKJU-OWBBTNHHSA-N 0 0 426.563 4.283 40 10 IICBRN CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)C(=CNc2cccc(C)c2)SC1=S ZINC000256055514 568663650 /nfs/dbraw/zinc/66/36/50/568663650.db2.gz JMTPVDXMGNKKJU-GXYBQNOFSA-N 0 0 426.563 4.283 40 10 IICBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccccc1Br ZINC000107828463 569260685 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O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O)Nc1cccc(F)c1 ZINC000409246497 557028246 /nfs/dbraw/zinc/02/82/46/557028246.db2.gz BZUSCDZDCXTUPV-XDHOZWIPSA-N 0 0 425.485 4.101 40 10 IICBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O ZINC000409242325 557032223 /nfs/dbraw/zinc/03/22/23/557032223.db2.gz QPYYYBXOOOCNPX-HAHDFKILSA-N 0 0 442.519 4.188 40 10 IICBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OC(C)=O ZINC000409341952 557069310 /nfs/dbraw/zinc/06/93/10/557069310.db2.gz CMKPPDLFQPMQMX-DEDYPNTBSA-N 0 0 442.562 4.482 40 10 IICBRN O=C(CN1C(=O)SC(=Cc2ccc(N3CCOCC3)cc2)C1=O)c1ccc(Cl)cc1 ZINC000409354695 557081184 /nfs/dbraw/zinc/08/11/84/557081184.db2.gz BGLKMTWAKCYEOB-DEDYPNTBSA-N 0 0 442.924 4.096 40 10 IICBRN COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 ZINC000409375542 557087092 /nfs/dbraw/zinc/08/70/92/557087092.db2.gz MIXYQUHIPCMEML-YVLHZVERSA-N 0 0 440.477 4.203 40 10 IICBRN O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)c3ccccc23)C1=O)N1CCCCC1 ZINC000409376377 557087904 /nfs/dbraw/zinc/08/79/04/557087904.db2.gz XTAQKGODRKTPRA-JWGURIENSA-N 0 0 449.576 4.489 40 10 IICBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccncc2)SC1=S ZINC000409367798 557088730 /nfs/dbraw/zinc/08/87/30/557088730.db2.gz LBGPYKZXLJVWFD-NTUHNPAUSA-N 0 0 425.322 4.326 40 10 IICBRN CN1C(=O)/C(=C/c2ccc(-c3ccc(I)cc3)o2)SC1=S ZINC000001082843 557118696 /nfs/dbraw/zinc/11/86/96/557118696.db2.gz PWBOKXMTBLQPBL-JYRVWZFOSA-N 0 0 427.288 4.382 40 10 IICBRN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1O ZINC000003139379 557136938 /nfs/dbraw/zinc/13/69/38/557136938.db2.gz VAMYVGKKQNMUQN-UHFFFAOYSA-N 0 0 430.485 4.149 40 10 IICBRN CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000103919223 557140714 /nfs/dbraw/zinc/14/07/14/557140714.db2.gz RZTVDNYXOCTHHW-QNGOZBTKSA-N 0 0 435.480 4.149 40 10 IICBRN Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1NS(C)(=O)=O ZINC000218597307 557209383 /nfs/dbraw/zinc/20/93/83/557209383.db2.gz 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ZINC000223616731 557492217 /nfs/dbraw/zinc/49/22/17/557492217.db2.gz ILOJPUKLDVVXIQ-YADHBBJMSA-N 0 0 441.000 4.497 40 10 IICBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cc(C)ccc1C ZINC000223620479 557492967 /nfs/dbraw/zinc/49/29/67/557492967.db2.gz WFPDZROUEJVTBR-ZEQRLZLVSA-N 0 0 434.609 4.461 40 10 IICBRN C[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260577592 557493315 /nfs/dbraw/zinc/49/33/15/557493315.db2.gz DCUDJHBQHZERPU-RBUKOAKNSA-N 0 0 433.552 4.177 40 10 IICBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C ZINC000223686895 557502406 /nfs/dbraw/zinc/50/24/06/557502406.db2.gz DECDABOBUIRWRL-RPWUZVMVSA-N 0 0 448.592 4.333 40 10 IICBRN COc1ccccc1OCCCn1cc(C=C2C(=O)NC(=S)N(C)C2=O)c2ccccc21 ZINC000033457718 557808558 /nfs/dbraw/zinc/80/85/58/557808558.db2.gz DTRXEALINUQOAW-JXAWBTAJSA-N 0 0 449.532 4.216 40 10 IICBRN COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)o2)c1C ZINC000059138934 557816493 /nfs/dbraw/zinc/81/64/93/557816493.db2.gz ZSPJTUSDBVPZNT-XSFVSMFZSA-N 0 0 444.443 4.050 40 10 IICBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000059959330 557828135 /nfs/dbraw/zinc/82/81/35/557828135.db2.gz PLWDHEIWVSDNAP-YVLHZVERSA-N 0 0 443.253 4.235 40 10 IICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccc(O)cc1 ZINC000260922565 568629681 /nfs/dbraw/zinc/62/96/81/568629681.db2.gz PXIPAMRCSLBGCL-AGILITTLSA-N 0 0 448.592 4.346 40 10 IICBRN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000107746530 569260507 /nfs/dbraw/zinc/26/05/07/569260507.db2.gz RAMPQFKLJARWMP-HMAPJEAMSA-N 0 0 438.443 4.059 40 10 IICBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1 ZINC000108238517 569260984 /nfs/dbraw/zinc/26/09/84/569260984.db2.gz HWQFHMBOAQTMEU-XNTDXEJSSA-N 0 0 449.351 4.004 40 10 IICBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OC(C)C ZINC000206885852 569261284 /nfs/dbraw/zinc/26/12/84/569261284.db2.gz QKYFFPZIYJVSOJ-CPNJWEJPSA-N 0 0 442.562 4.419 40 10 IICBRN CCOC(=O)COc1ccc(C=C2SC(Nc3ccccc3)=NC2=O)cc1OCC ZINC000208656479 569261316 /nfs/dbraw/zinc/26/13/16/569261316.db2.gz ZEISXCRVYWTVRG-UYRXBGFRSA-N 0 0 426.494 4.110 40 10 IICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1O ZINC000223310379 193965186 /nfs/dbraw/zinc/96/51/86/193965186.db2.gz LJMSHESNMDDLKS-GLYQVZKVSA-N 0 0 448.592 4.346 40 10 IICBRN O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1ccc(Br)cc1 ZINC000009187876 132307696 /nfs/dbraw/zinc/30/76/96/132307696.db2.gz GYUGEFHTFWMLMA-AQTBWJFISA-N 0 0 446.345 4.381 40 10 IICBRN Cc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)n1-c1cccc(C)c1 ZINC000041085141 526084599 /nfs/dbraw/zinc/08/45/99/526084599.db2.gz MTMVBGOIJKQNEK-RYEIUNSYSA-N 0 0 432.553 4.075 40 10 IICBRN O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCc1c[nH]c2ccccc12 ZINC000033584834 526477265 /nfs/dbraw/zinc/47/72/65/526477265.db2.gz RNNQBAXOQQOVNT-LDADJPATSA-N 0 0 441.603 4.180 40 10 IICBRN COc1ccc(N2CCN(c3ncc4c(n3)C[C@H](c3ccc(Cl)cc3)CC4=O)CC2)cc1 ZINC000010156614 536702135 /nfs/dbraw/zinc/70/21/35/536702135.db2.gz YTNLPYYRSGVNQO-SFHVURJKSA-N 0 0 448.954 4.378 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000408527404 555717578 /nfs/dbraw/zinc/71/75/78/555717578.db2.gz AKSUPQJHCKLZKJ-STZFKDTASA-N 0 0 443.455 4.209 40 10 IICBRN O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1)N1CCCC1 ZINC000408572718 555916637 /nfs/dbraw/zinc/91/66/37/555916637.db2.gz HVMACIPXJMAJQR-ZHZULCJRSA-N 0 0 438.574 4.089 40 10 IICBRN CC(C)N1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)SC1=S ZINC000408578388 555919012 /nfs/dbraw/zinc/91/90/12/555919012.db2.gz XWMDGTMMRPKDAM-WQRHYEAKSA-N 0 0 430.526 4.453 40 10 IICBRN O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1[N+](=O)[O-] ZINC000008820436 556220377 /nfs/dbraw/zinc/22/03/77/556220377.db2.gz OHDQYMIJRLSINV-YKYHQJSKSA-N 0 0 439.518 4.381 40 10 IICBRN Cc1c(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000008828443 556224874 /nfs/dbraw/zinc/22/48/74/556224874.db2.gz VHPCESCDFMVOID-UNOMPAQXSA-N 0 0 446.557 4.372 40 10 IICBRN CC(=O)NC1=NC(=O)/C(=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)S1 ZINC000408755980 556238856 /nfs/dbraw/zinc/23/88/56/556238856.db2.gz XBPVCHOOCHDAKC-PXNMLYILSA-N 0 0 435.288 4.319 40 10 IICBRN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccccc1[N+](=O)[O-] ZINC000033441454 556564334 /nfs/dbraw/zinc/56/43/34/556564334.db2.gz UMOUXVNUFWRYDM-LFIBNONCSA-N 0 0 447.925 4.478 40 10 IICBRN Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N(c3ccccc3)O[C@@H]2C1=O ZINC000100799190 556591082 /nfs/dbraw/zinc/59/10/82/556591082.db2.gz MTHKDCZYNZGXGA-SGNDLWITSA-N 0 0 427.504 4.112 40 10 IICBRN Cc1ccccc1N1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)C1=O ZINC000100799196 556591107 /nfs/dbraw/zinc/59/11/07/556591107.db2.gz MTHKDCZYNZGXGA-SMIHKQSGSA-N 0 0 427.504 4.112 40 10 IICBRN Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccccc1F ZINC000033735100 556628328 /nfs/dbraw/zinc/62/83/28/556628328.db2.gz UFMVVKSPJMITBV-MPZQNCSBSA-N 0 0 444.495 4.296 40 10 IICBRN COc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000408759314 556686729 /nfs/dbraw/zinc/68/67/29/556686729.db2.gz CBQUWSITKLWGTI-PXLXIMEGSA-N 0 0 429.432 4.447 40 10 IICBRN COc1ccc(OC)c(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1 ZINC000000728515 556692238 /nfs/dbraw/zinc/69/22/38/556692238.db2.gz PTVSJABTGSCVJW-UHFFFAOYSA-N 0 0 444.512 4.452 40 10 IICBRN CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000137670279 556697753 /nfs/dbraw/zinc/69/77/53/556697753.db2.gz UPKRAJVVJLFKFB-RJGXRXQPSA-N 0 0 447.922 4.457 40 10 IICBRN Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260455502 556720732 /nfs/dbraw/zinc/72/07/32/556720732.db2.gz YMLFCBRNRCRAGK-FUHWJXTLSA-N 0 0 429.586 4.094 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000408794991 556856955 /nfs/dbraw/zinc/85/69/55/556856955.db2.gz KVIBBFHZJGZHSG-WJDWOHSUSA-N 0 0 443.253 4.235 40 10 IICBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 ZINC000408881680 556878256 /nfs/dbraw/zinc/87/82/56/556878256.db2.gz LQDJGJCYVACMFF-UYRXBGFRSA-N 0 0 427.501 4.347 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cccc(OC)c1OC ZINC000409016713 556921372 /nfs/dbraw/zinc/92/13/72/556921372.db2.gz GXQNTPLWZSEPBW-WJDWOHSUSA-N 0 0 443.883 4.243 40 10 IICBRN CC(=O)Oc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1 ZINC000409147347 556973135 /nfs/dbraw/zinc/97/31/35/556973135.db2.gz YSOODUYQURFPEI-LICLKQGHSA-N 0 0 446.937 4.120 40 10 IICBRN COc1ccc(CN2C(=O)[C@H](Cc3cc(OC)c(OC)cc3Cl)SC2=S)cc1 ZINC000409143424 556975532 /nfs/dbraw/zinc/97/55/32/556975532.db2.gz FBSCYPLAPXYZRP-SFHVURJKSA-N 0 0 437.970 4.337 40 10 IICBRN CN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)NC1=S ZINC000409143929 556975675 /nfs/dbraw/zinc/97/56/75/556975675.db2.gz WXZDQQFKLPUULS-DHDCSXOGSA-N 0 0 444.343 4.253 40 10 IICBRN 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ZINC000097951966 557178296 /nfs/dbraw/zinc/17/82/96/557178296.db2.gz OXOJCPIGDKKQKH-SDHOMARFSA-N 0 0 441.531 4.421 40 10 IICBRN Cc1c(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cccc1N(C)S(C)(=O)=O ZINC000222442619 557340235 /nfs/dbraw/zinc/34/02/35/557340235.db2.gz WPKAYSRLFKEDFH-MJGOQNOKSA-N 0 0 443.613 4.118 40 10 IICBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)c([N+](=O)[O-])c1 ZINC000222746258 557382414 /nfs/dbraw/zinc/38/24/14/557382414.db2.gz HQHYHMGGERITLP-LEWJYISDSA-N 0 0 437.525 4.008 40 10 IICBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000223061623 557423743 /nfs/dbraw/zinc/42/37/43/557423743.db2.gz DUMFQMFCDCDSSU-VXKWHMMOSA-N 0 0 435.597 4.202 40 10 IICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(O)cc1 ZINC000223310530 557457713 /nfs/dbraw/zinc/45/77/13/557457713.db2.gz PXIPAMRCSLBGCL-TUACAJSNSA-N 0 0 448.592 4.346 40 10 IICBRN COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCCCOC(C)C)cc1 ZINC000017101517 557490314 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N=C1/C(=C/c2coc3ccccc3c2=O)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN21 ZINC000041085213 526838104 /nfs/dbraw/zinc/83/81/04/526838104.db2.gz QFLPUKVBJBYMAV-MEOLDJOHSA-N 0 0 448.891 4.308 40 10 IICBRN COC(=O)COc1c(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cccc1OC ZINC000408532980 555739460 /nfs/dbraw/zinc/73/94/60/555739460.db2.gz OYJAPJSATAHZBC-WOJGMQOQSA-N 0 0 443.546 4.270 40 10 IICBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000408549840 555830642 /nfs/dbraw/zinc/83/06/42/555830642.db2.gz ABAUTLSZQHYKLO-FYJGNVAPSA-N 0 0 437.565 4.370 40 10 IICBRN COc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1 ZINC000408574371 555925170 /nfs/dbraw/zinc/92/51/70/555925170.db2.gz MBRZXAOBILSSSZ-UNOMPAQXSA-N 0 0 442.562 4.322 40 10 IICBRN COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2)c1 ZINC000408576692 555926945 /nfs/dbraw/zinc/92/69/45/555926945.db2.gz QLNVLORBHHEWRC-ODLFYWEKSA-N 0 0 442.562 4.322 40 10 IICBRN COc1ccccc1/C=C1/SC(=S)N(C(=O)c2ccccc2Br)C1=O ZINC000408718960 556138824 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CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000032181162 556537192 /nfs/dbraw/zinc/53/71/92/556537192.db2.gz PQIBNNNXIYMBIE-STZFKDTASA-N 0 0 437.492 4.370 40 10 IICBRN COc1ccc(C=C2SC(NN=c3[nH]c(-c4ccccc4)cs3)=NC2=O)cc1OC ZINC000017221779 556673700 /nfs/dbraw/zinc/67/37/00/556673700.db2.gz UTQSUAZAWYRLIC-WOJGMQOQSA-N 0 0 438.534 4.414 40 10 IICBRN CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 ZINC000260452875 556719856 /nfs/dbraw/zinc/71/98/56/556719856.db2.gz AGUIBRMUGUHOAM-ROUUACIJSA-N 0 0 429.586 4.176 40 10 IICBRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc2c(c1)OCO2 ZINC000001894851 556797876 /nfs/dbraw/zinc/79/78/76/556797876.db2.gz MUPQBMANBITLKT-YBEGLDIGSA-N 0 0 432.548 4.097 40 10 IICBRN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408758121 556807074 /nfs/dbraw/zinc/80/70/74/556807074.db2.gz VOVWATXNGJDGCT-YDZHTSKRSA-N 0 0 442.519 4.389 40 10 IICBRN Cc1ccc2ccccc2c1COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl ZINC000408871319 556875048 /nfs/dbraw/zinc/87/50/48/556875048.db2.gz ZDMAGCJMFWLUQN-UHFFFAOYSA-N 0 0 436.920 4.295 40 10 IICBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 ZINC000409000710 556914337 /nfs/dbraw/zinc/91/43/37/556914337.db2.gz ZQTFMRFVAWDMOQ-NVNXTCNLSA-N 0 0 442.265 4.055 40 10 IICBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3OCC)C(C(=O)OC)=C2C)cc1 ZINC000409016261 556921251 /nfs/dbraw/zinc/92/12/51/556921251.db2.gz GDGYUEBDEPRLLF-HKWRFOASSA-N 0 0 435.476 4.139 40 10 IICBRN COCCN1C(=O)/C(=C/c2cccn2-c2ccc(C)cc2C)C(=O)N(c2ccccc2)C1=O ZINC000409016221 556921279 /nfs/dbraw/zinc/92/12/79/556921279.db2.gz SWFRYTUFTPJRDS-XLNRJJMWSA-N 0 0 443.503 4.119 40 10 IICBRN O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409045741 556930514 /nfs/dbraw/zinc/93/05/14/556930514.db2.gz HKLUKFLEFXGGKT-UHFFFAOYSA-N 0 0 441.723 4.140 40 10 IICBRN Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)cc1 ZINC000409075048 556943513 /nfs/dbraw/zinc/94/35/13/556943513.db2.gz XFIVQSAAAZWVAP-JWGURIENSA-N 0 0 438.549 4.255 40 10 IICBRN CCOC(=O)COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OC ZINC000409214204 557008647 /nfs/dbraw/zinc/00/86/47/557008647.db2.gz WPSUMASJWQZDTC-PDGQHHTCSA-N 0 0 429.519 4.043 40 10 IICBRN O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O)Nc1cccc(F)c1 ZINC000409229054 557015563 /nfs/dbraw/zinc/01/55/63/557015563.db2.gz JABFVVZXUGPKRR-YBFXNURJSA-N 0 0 443.475 4.240 40 10 IICBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1ccccn1 ZINC000409232853 557024532 /nfs/dbraw/zinc/02/45/32/557024532.db2.gz BWCBNQKVFZPWAT-MOSHPQCFSA-N 0 0 446.532 4.473 40 10 IICBRN COc1cc(N2CCCC2)c(OC)cc1/C=C1/NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409246134 557027957 /nfs/dbraw/zinc/02/79/57/557027957.db2.gz FMMRGVGUNIKEBA-GZTJUZNOSA-N 0 0 427.888 4.055 40 10 IICBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)c(C)n1-c1ccccc1 ZINC000409364868 557083666 /nfs/dbraw/zinc/08/36/66/557083666.db2.gz NMGRSVBXBBBGIH-KGENOOAVSA-N 0 0 437.565 4.389 40 10 IICBRN 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ZINC000223452118 557473484 /nfs/dbraw/zinc/47/34/84/557473484.db2.gz CLDQOJUHCVSIMR-RPWUZVMVSA-N 0 0 440.576 4.452 40 10 IICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccn1 ZINC000223487832 557478353 /nfs/dbraw/zinc/47/83/53/557478353.db2.gz QLODIKZTZNSTDB-RPWUZVMVSA-N 0 0 440.576 4.452 40 10 IICBRN CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223950461 557533019 /nfs/dbraw/zinc/53/30/19/557533019.db2.gz HEJXFXZXLCDJDC-QFIPXVFZSA-N 0 0 445.629 4.011 40 10 IICBRN CN(C)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000224083707 557558153 /nfs/dbraw/zinc/55/81/53/557558153.db2.gz GKXOQLHUNLSHDJ-UHFFFAOYSA-N 0 0 443.956 4.137 40 10 IICBRN COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1C ZINC000224601735 557629722 /nfs/dbraw/zinc/62/97/22/557629722.db2.gz RTCRSNFIYPNGFN-SJLPKXTDSA-N 0 0 430.570 4.057 40 10 IICBRN COc1ccc(N2CCN(C(=O)CCc3nc(-c4ccc(C(C)C)cc4)no3)CC2)cc1 ZINC000225836572 557783370 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Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000034706783 526086561 /nfs/dbraw/zinc/08/65/61/526086561.db2.gz NNQYKYKVQGOAAH-YHRCQRQKSA-N 0 0 440.532 4.465 40 10 IICBRN O=C(c1cc(C2CC2)on1)N(Cc1ccco1)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000072342413 526602741 /nfs/dbraw/zinc/60/27/41/526602741.db2.gz FUOSFKYZEJYKMX-UHFFFAOYSA-N 0 0 435.480 4.185 40 10 IICBRN COc1ccc(N2CCN(C(=O)c3sc4nc5cc(OC)ccc5cc4c3N)CC2)cc1 ZINC000013503438 536691588 /nfs/dbraw/zinc/69/15/88/536691588.db2.gz YXPIQTAUZNTQRH-UHFFFAOYSA-N 0 0 448.548 4.011 40 10 IICBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(N4CCCCC4)c(F)c3)C2=O)o1 ZINC000034890537 555554147 /nfs/dbraw/zinc/55/41/47/555554147.db2.gz USFBCHJYUJEGMC-XDHOZWIPSA-N 0 0 444.484 4.432 40 10 IICBRN O=C(COc1ccc(C=C2SC(=S)NC2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000408533399 555746483 /nfs/dbraw/zinc/74/64/83/555746483.db2.gz YLLJQKRUNPGEMV-NVNXTCNLSA-N 0 0 439.345 4.500 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000408582306 555933876 /nfs/dbraw/zinc/93/38/76/555933876.db2.gz CDXDTRLAQMVOFC-BOPFTXTBSA-N 0 0 443.253 4.235 40 10 IICBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)OC(C)C ZINC000408600080 555958529 /nfs/dbraw/zinc/95/85/29/555958529.db2.gz TXAJDELBVNKNAZ-UNOMPAQXSA-N 0 0 443.546 4.431 40 10 IICBRN CN(C)c1ccc(C(C[N+](=O)[O-])(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1 ZINC000005124963 556033226 /nfs/dbraw/zinc/03/32/26/556033226.db2.gz IUIZFGPUKTUHRE-UHFFFAOYSA-N 0 0 432.568 4.496 40 10 IICBRN COc1ccc2[nH]c(SCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nc2c1 ZINC000008759978 556211253 /nfs/dbraw/zinc/21/12/53/556211253.db2.gz NEJYPFCZALKOAY-UHFFFAOYSA-N 0 0 443.484 4.078 40 10 IICBRN O=Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000008870221 556229672 /nfs/dbraw/zinc/22/96/72/556229672.db2.gz ZWCQUQPGKNBYNP-CHHVJCJISA-N 0 0 437.329 4.352 40 10 IICBRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2)cc1 ZINC000015541114 556533760 /nfs/dbraw/zinc/53/37/60/556533760.db2.gz 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ZINC000409019717 556924017 /nfs/dbraw/zinc/92/40/17/556924017.db2.gz KHKBDUARIQRAID-UKTHLTGXSA-N 0 0 439.718 4.259 40 10 IICBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c2C)c1 ZINC000409070844 556945043 /nfs/dbraw/zinc/94/50/43/556945043.db2.gz HARRLXZZOFCHSR-LPYMAVHISA-N 0 0 447.466 4.113 40 10 IICBRN CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC[C@H]3C)c3ccccc23)SC1=S ZINC000409133865 556968471 /nfs/dbraw/zinc/96/84/71/556968471.db2.gz NOEUEPUBLWXGEN-VUFYJBQKSA-N 0 0 427.595 4.263 40 10 IICBRN Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000409242705 557032605 /nfs/dbraw/zinc/03/26/05/557032605.db2.gz XTLZLELGAUYDFH-LDADJPATSA-N 0 0 434.883 4.117 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 ZINC000409312596 557058222 /nfs/dbraw/zinc/05/82/22/557058222.db2.gz FQTFDZAOKHCRJE-YBEGLDIGSA-N 0 0 429.831 4.143 40 10 IICBRN CCCN1C(=O)/C(=C/c2ccc(Oc3ncccc3[N+](=O)[O-])c(OC)c2)SC1=S ZINC000409342962 557070485 /nfs/dbraw/zinc/07/04/85/557070485.db2.gz CCBBBMWDYGOYNT-LFIBNONCSA-N 0 0 431.495 4.402 40 10 IICBRN CCCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)SC1=S ZINC000409345869 557082324 /nfs/dbraw/zinc/08/23/24/557082324.db2.gz LYRCHFFDYCTWFQ-CPNJWEJPSA-N 0 0 442.562 4.324 40 10 IICBRN CN(C)c1ccc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1Br ZINC000409365369 557083946 /nfs/dbraw/zinc/08/39/46/557083946.db2.gz YBMBBBFLYIDTFX-WQRHYEAKSA-N 0 0 445.338 4.434 40 10 IICBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1F)c1ccc(Cl)cc1 ZINC000008810094 557171662 /nfs/dbraw/zinc/17/16/62/557171662.db2.gz OAGOTEJGFOWEMK-UHFFFAOYSA-N 0 0 448.859 4.261 40 10 IICBRN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000113833806 557307149 /nfs/dbraw/zinc/30/71/49/557307149.db2.gz CBBNAEGHSXFXMB-WOJGMQOQSA-N 0 0 430.507 4.404 40 10 IICBRN Cc1c(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cccc1N(C)S(C)(=O)=O ZINC000222442530 557340267 /nfs/dbraw/zinc/34/02/67/557340267.db2.gz USWBKDFXRAHPSD-LJQANCHMSA-N 0 0 443.613 4.118 40 10 IICBRN Cc1c(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cccc1N(C)S(C)(=O)=O ZINC000222442465 557340299 /nfs/dbraw/zinc/34/02/99/557340299.db2.gz USWBKDFXRAHPSD-IBGZPJMESA-N 0 0 443.613 4.118 40 10 IICBRN CCN(CC)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000222752558 557383303 /nfs/dbraw/zinc/38/33/03/557383303.db2.gz KUWGSCMWYISJMU-UHFFFAOYSA-N 0 0 443.613 4.028 40 10 IICBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C ZINC000222809825 557389243 /nfs/dbraw/zinc/38/92/43/557389243.db2.gz LEDGJEGNZVBURQ-VXKWHMMOSA-N 0 0 434.565 4.268 40 10 IICBRN N=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN21 ZINC000033458136 557399517 /nfs/dbraw/zinc/39/95/17/557399517.db2.gz VGHZHEQHCWDTCO-NIWWFUJCSA-N 0 0 435.509 4.430 40 10 IICBRN COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)c1 ZINC000033581550 557414428 /nfs/dbraw/zinc/41/44/28/557414428.db2.gz ALYKMQBFUIKNRN-MHHBVAOCSA-N 0 0 445.504 4.363 40 10 IICBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1 ZINC000223076927 557426957 /nfs/dbraw/zinc/42/69/57/557426957.db2.gz GOGQHYQJTFVPHM-XZOQPEGZSA-N 0 0 436.581 4.198 40 10 IICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccn1 ZINC000223452158 557473423 /nfs/dbraw/zinc/47/34/23/557473423.db2.gz CLDQOJUHCVSIMR-BJKOFHAPSA-N 0 0 440.576 4.452 40 10 IICBRN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NCCc2ccc(O)cc2)cc1 ZINC000017095408 557486165 /nfs/dbraw/zinc/48/61/65/557486165.db2.gz BJWRODMJKAJTTB-MOHJPFBDSA-N 0 0 427.504 4.258 40 10 IICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(Cl)cc1 ZINC000223577147 557487979 /nfs/dbraw/zinc/48/79/79/557487979.db2.gz UEGAMSIKVLYMPU-LEWJYISDSA-N 0 0 426.973 4.107 40 10 IICBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(Cl)c1C ZINC000223582310 557488666 /nfs/dbraw/zinc/48/86/66/557488666.db2.gz XGFFNYDFMYLVRY-VXKWHMMOSA-N 0 0 441.000 4.416 40 10 IICBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C ZINC000223583866 557488813 /nfs/dbraw/zinc/48/88/13/557488813.db2.gz HZFATXMHDNYRBG-VWNXMTODSA-N 0 0 434.609 4.325 40 10 IICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(C)c1C ZINC000223620173 557492776 /nfs/dbraw/zinc/49/27/76/557492776.db2.gz IPFZXDCSKFOXBH-RPWUZVMVSA-N 0 0 434.609 4.461 40 10 IICBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C ZINC000223686933 557502339 /nfs/dbraw/zinc/50/23/39/557502339.db2.gz DECDABOBUIRWRL-BJKOFHAPSA-N 0 0 448.592 4.333 40 10 IICBRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000224077478 557556525 /nfs/dbraw/zinc/55/65/25/557556525.db2.gz UTWAKXRVVOUWOL-UHFFFAOYSA-N 0 0 437.565 4.134 40 10 IICBRN COc1ccc(N2CCN(C(=O)c3ccc(OC)c(COCc4ccccc4)c3)CC2)cc1 ZINC000224355353 557597247 /nfs/dbraw/zinc/59/72/47/557597247.db2.gz RZXRBEPGFXUAPH-UHFFFAOYSA-N 0 0 446.547 4.383 40 10 IICBRN CCCCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OCC)C2=O)cc1OC ZINC000027563147 557606012 /nfs/dbraw/zinc/60/60/12/557606012.db2.gz YSDHLCDTVJYXHS-AQTBWJFISA-N 0 0 437.583 4.419 40 10 IICBRN CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000225847170 557784871 /nfs/dbraw/zinc/78/48/71/557784871.db2.gz KQTSQWPTRVMTJQ-HSZRJFAPSA-N 0 0 445.629 4.011 40 10 IICBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000058865879 557812272 /nfs/dbraw/zinc/81/22/72/557812272.db2.gz CNOQKEKHANMYIS-UHFFFAOYSA-N 0 0 448.225 4.371 40 10 IICBRN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)o2)c(C)c1 ZINC000059138936 557816483 /nfs/dbraw/zinc/81/64/83/557816483.db2.gz YTMACPZOOQKHMO-XSFVSMFZSA-N 0 0 444.443 4.050 40 10 IICBRN Cc1ccc(-c2ccc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000059138959 557816488 /nfs/dbraw/zinc/81/64/88/557816488.db2.gz RVAGNIPPGWWFPC-QGOAFFKASA-N 0 0 431.404 4.172 40 10 IICBRN Cc1cc(-c2ccc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000059138958 557816535 /nfs/dbraw/zinc/81/65/35/557816535.db2.gz ULICKNWEWVYFIT-CPNJWEJPSA-N 0 0 445.431 4.480 40 10 IICBRN COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1C ZINC000260843431 557861632 /nfs/dbraw/zinc/86/16/32/557861632.db2.gz RTCRSNFIYPNGFN-WMZOPIPTSA-N 0 0 430.570 4.057 40 10 IICBRN COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1C ZINC000260843428 557861636 /nfs/dbraw/zinc/86/16/36/557861636.db2.gz RTCRSNFIYPNGFN-FUHWJXTLSA-N 0 0 430.570 4.057 40 10 IICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ncccc1C ZINC000260924280 568629916 /nfs/dbraw/zinc/62/99/16/568629916.db2.gz TVTGSJXVLPYDJG-WTIAFYNJSA-N 0 0 447.608 4.344 40 10 IICBRN COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)SC1=S ZINC000001276997 568775808 /nfs/dbraw/zinc/77/58/08/568775808.db2.gz ORPCSXKGDSGQEN-YQNUULROSA-N 0 0 443.546 4.037 40 10 IICBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000107822763 569251373 /nfs/dbraw/zinc/25/13/73/569251373.db2.gz DOBXAZJWIZBBCV-DEDYPNTBSA-N 0 0 437.565 4.370 40 10 IICBRN CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])N=C2c2ccccc2)cc1 ZINC000008856009 569291348 /nfs/dbraw/zinc/29/13/48/569291348.db2.gz FWODMTMTPWFRET-QNGOZBTKSA-N 0 0 426.432 4.388 40 10 IICBRN Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@@H]2C1=O ZINC000009462005 569296526 /nfs/dbraw/zinc/29/65/26/569296526.db2.gz OBCHLMTVSZBEEC-BDTNDASRSA-N 0 0 434.879 4.405 40 10 IICBRN COc1cccc(OCCCOc2c(/C=C3\SC(=S)N(C)C3=O)cccc2OC)c1 ZINC000002878502 569423969 /nfs/dbraw/zinc/42/39/69/569423969.db2.gz PPWBAAXCUOHCAJ-UYRXBGFRSA-N 0 0 445.562 4.383 40 10 IICBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2ccccc2)cc1 ZINC000006287499 193895958 /nfs/dbraw/zinc/89/59/58/193895958.db2.gz RAQDYFLKIANYMW-QFIPXVFZSA-N 0 0 449.580 4.051 40 10 IICBRN CCCCCN1c2nc3ccccc3n2[C@H](c2ccc(N(C)C)cc2)[C@H](C(=O)OCC)C1=O ZINC000020675722 520183147 /nfs/dbraw/zinc/18/31/47/520183147.db2.gz NTOZGQXVYHFZHR-XZOQPEGZSA-N 0 0 448.567 4.408 40 10 IICBRN CCCCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S ZINC000012274875 520231739 /nfs/dbraw/zinc/23/17/39/520231739.db2.gz QVXUTVUQPUHBNV-VKAVYKQESA-N 0 0 435.567 4.188 40 10 IICBRN C[C@@H](NS(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C1C2CC3CC(C2)CC1C3 ZINC000012284756 525577895 /nfs/dbraw/zinc/57/78/95/525577895.db2.gz BZGZVTBXLWFZNF-DJKGJOKGSA-N 0 0 449.572 4.201 40 10 IICBRN N=C1/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(N3CCCCC3)=NN21 ZINC000041084706 526837384 /nfs/dbraw/zinc/83/73/84/526837384.db2.gz YZEPOLVZMAUGOD-COGBYSKYSA-N 0 0 445.548 4.328 40 10 IICBRN O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)N1CCC(Cc2ccccc2)CC1 ZINC000008820270 556220121 /nfs/dbraw/zinc/22/01/21/556220121.db2.gz SKFILEZVEYEEKL-CAPFRKAQSA-N 0 0 440.590 4.352 40 10 IICBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NC(C)(C)C)C2=O)cc1 ZINC000008820115 556220139 /nfs/dbraw/zinc/22/01/39/556220139.db2.gz IDCUMJQMRIRRRS-VKAVYKQESA-N 0 0 448.610 4.150 40 10 IICBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000008820636 556220815 /nfs/dbraw/zinc/22/08/15/556220815.db2.gz LVAKOCPTIMUHKE-PALGHMFPSA-N 0 0 438.530 4.202 40 10 IICBRN CC(C)(C)c1ccc(C(=O)NN2C(=O)/C(=C\c3nc4ccccc4[nH]3)SC2=S)cc1 ZINC000008869974 556228624 /nfs/dbraw/zinc/22/86/24/556228624.db2.gz CNLHYEAULXSLLM-SFQUDFHCSA-N 0 0 436.562 4.407 40 10 IICBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N(c4ccccc4)O[C@@H]3C2=O)c(C)c1 ZINC000013660822 556708399 /nfs/dbraw/zinc/70/83/99/556708399.db2.gz OXOJCPIGDKKQKH-DSITVLBTSA-N 0 0 441.531 4.421 40 10 IICBRN COc1ccc(N2CCN([C@H](c3cccs3)c3nnnn3C3CCCCC3)CC2)cc1 ZINC000001337523 556776918 /nfs/dbraw/zinc/77/69/18/556776918.db2.gz OMGFGENGDMKVQO-JOCHJYFZSA-N 0 0 438.601 4.160 40 10 IICBRN CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 ZINC000001750302 556797534 /nfs/dbraw/zinc/79/75/34/556797534.db2.gz MSBTWFQRYNHNGS-JXAWBTAJSA-N 0 0 440.546 4.093 40 10 IICBRN COC(=O)c1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408847200 556869244 /nfs/dbraw/zinc/86/92/44/556869244.db2.gz UDZFTQINLVDKKS-CJLVFECKSA-N 0 0 442.471 4.325 40 10 IICBRN Cc1cc2c(cc1C=C1C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C1=O)OCO2 ZINC000408991653 556911623 /nfs/dbraw/zinc/91/16/23/556911623.db2.gz QUKWFEXHCBGAND-UHFFFAOYSA-N 0 0 442.496 4.472 40 10 IICBRN CCN1C(=O)C(=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)NC1=S ZINC000409008024 556916805 /nfs/dbraw/zinc/91/68/05/556916805.db2.gz URPMYPAUUORCIX-YBEGLDIGSA-N 0 0 435.318 4.245 40 10 IICBRN COCCN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)C(=O)N(c2ccccc2)C1=O ZINC000409012117 556918416 /nfs/dbraw/zinc/91/84/16/556918416.db2.gz IVNQJENHCZTJAK-HKWRFOASSA-N 0 0 434.423 4.111 40 10 IICBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)cc1 ZINC000409068072 556942640 /nfs/dbraw/zinc/94/26/40/556942640.db2.gz SQPKBOMTWQPGMH-MOSHPQCFSA-N 0 0 439.512 4.409 40 10 IICBRN Cc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409089502 556951373 /nfs/dbraw/zinc/95/13/73/556951373.db2.gz JJBUVQOWOLOLSX-NPBUNYCVSA-N 0 0 443.550 4.383 40 10 IICBRN COc1cc(N2CCCC2)c(OC)cc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000409096761 556953287 /nfs/dbraw/zinc/95/32/87/556953287.db2.gz KZCCOJJPBUDBTA-WQRHYEAKSA-N 0 0 441.915 4.050 40 10 IICBRN CCOc1cc(C[C@H]2SC(=S)N(CCOC)C2=O)ccc1OCc1ccccc1 ZINC000409149554 556974506 /nfs/dbraw/zinc/97/45/06/556974506.db2.gz JRLVRTMSFDFQBQ-HXUWFJFHSA-N 0 0 431.579 4.082 40 10 IICBRN COC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S ZINC000409199336 556998566 /nfs/dbraw/zinc/99/85/66/556998566.db2.gz CBCURXRUVNGIGQ-ZSOIEALJSA-N 0 0 438.324 4.083 40 10 IICBRN CCOC(=O)COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC ZINC000409199394 556998837 /nfs/dbraw/zinc/99/88/37/556998837.db2.gz CUBWUKXCJQBVGB-XDHOZWIPSA-N 0 0 443.546 4.039 40 10 IICBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O ZINC000409216289 557011237 /nfs/dbraw/zinc/01/12/37/557011237.db2.gz JUYDQUKFBRQQBE-DKNZLLBESA-N 0 0 442.537 4.481 40 10 IICBRN CCn1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)c2ccccc21 ZINC000409335740 557072522 /nfs/dbraw/zinc/07/25/22/557072522.db2.gz ZDOHUPCZUGPWRP-UNOMPAQXSA-N 0 0 437.546 4.216 40 10 IICBRN Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1NS(C)(=O)=O ZINC000218587815 557209027 /nfs/dbraw/zinc/20/90/27/557209027.db2.gz PMAHJQZKZGLQMI-GOSISDBHSA-N 0 0 429.586 4.094 40 10 IICBRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1NS(C)(=O)=O ZINC000218597226 557209338 /nfs/dbraw/zinc/20/93/38/557209338.db2.gz ACGXJFGUJJOFMO-AEFFLSMTSA-N 0 0 429.586 4.094 40 10 IICBRN CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1)S(C)(=O)=O ZINC000218781274 557215722 /nfs/dbraw/zinc/21/57/22/557215722.db2.gz IMVWUBYTAREEIN-MOPGFXCFSA-N 0 0 443.613 4.200 40 10 IICBRN COc1cc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000260592145 557242539 /nfs/dbraw/zinc/24/25/39/557242539.db2.gz PSDALHOBNNXFIM-DLBZAZTESA-N 0 0 427.501 4.096 40 10 IICBRN COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000113830925 557306893 /nfs/dbraw/zinc/30/68/93/557306893.db2.gz BMZGMHVDIUNLSD-UHFFFAOYSA-N 0 0 449.290 4.015 40 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ZINC000223650456 557497140 /nfs/dbraw/zinc/49/71/40/557497140.db2.gz HHZSYJSKERJTBV-DNQXCXABSA-N 0 0 448.592 4.333 40 10 IICBRN Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225956127 557796858 /nfs/dbraw/zinc/79/68/58/557796858.db2.gz ZQXRVIFMKLKDKC-ROUUACIJSA-N 0 0 438.645 4.354 40 10 IICBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000058866019 557812261 /nfs/dbraw/zinc/81/22/61/557812261.db2.gz WYXNVADNWXDTSA-UHFFFAOYSA-N 0 0 440.364 4.049 40 10 IICBRN CN1C(=O)C(=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)C(=O)N(C)C1=S ZINC000058962456 557813535 /nfs/dbraw/zinc/81/35/35/557813535.db2.gz KICXTQXJDBTZJJ-UHFFFAOYSA-N 0 0 435.332 4.171 40 10 IICBRN Cc1c(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000059139338 557816696 /nfs/dbraw/zinc/81/66/96/557816696.db2.gz QCFGYWPXIPEBCR-UHFFFAOYSA-N 0 0 437.952 4.250 40 10 IICBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000059435783 557820904 /nfs/dbraw/zinc/82/09/04/557820904.db2.gz SZNAQLORODFKDX-UNOMPAQXSA-N 0 0 442.309 4.331 40 10 IICBRN CCCOC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000001809351 568909244 /nfs/dbraw/zinc/90/92/44/568909244.db2.gz CCNXGOZYLLWWTJ-UYRXBGFRSA-N 0 0 427.547 4.420 40 10 IICBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(OC)c1 ZINC000033558326 569259377 /nfs/dbraw/zinc/25/93/77/569259377.db2.gz MYWLNYCTVWRDGW-YBFXNURJSA-N 0 0 444.509 4.158 40 10 IICBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccccc1Cl ZINC000205853435 569261059 /nfs/dbraw/zinc/26/10/59/569261059.db2.gz FSIKFSVADFBRMJ-XDHOZWIPSA-N 0 0 443.956 4.406 40 10 IICBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000205871624 569261077 /nfs/dbraw/zinc/26/10/77/569261077.db2.gz ZRXXRCZVQFQOAC-XDHOZWIPSA-N 0 0 443.956 4.406 40 10 IICBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)o1 ZINC000041076282 569526391 /nfs/dbraw/zinc/52/63/91/569526391.db2.gz JHLXBNLPGLLOHB-XGRCKQMDSA-N 0 0 449.370 4.345 40 10 IICBRN CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c(OCC)c1 ZINC000033452571 517727041 /nfs/dbraw/zinc/72/70/41/517727041.db2.gz BOJJLOVEJJCFMF-LDADJPATSA-N 0 0 428.535 4.030 40 10 IICBRN CCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc(Cl)c([N+](=O)[O-])c3)C2=N)S1 ZINC000041108325 519849712 /nfs/dbraw/zinc/84/97/12/519849712.db2.gz VQNQQJJJGYENLI-JLZHIMPBSA-N 0 0 428.861 4.068 40 10 IICBRN CCCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3cc(OC)ccc3OC)C2=N)S1 ZINC000041082824 519917638 /nfs/dbraw/zinc/91/76/38/519917638.db2.gz BKFMYVFXZGENPS-NTCRLEKGSA-N 0 0 437.525 4.304 40 10 IICBRN CCc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2ccccc2OC)SC1=S ZINC000012274871 521864110 /nfs/dbraw/zinc/86/41/10/521864110.db2.gz RVWFIRGJXFQHME-RGEXLXHISA-N 0 0 426.563 4.488 40 10 IICBRN COc1cc(/C=C2/C(=O)N=C3C=C(C)ON3C2=N)cc(Cl)c1OC(=O)c1cccs1 ZINC000041078384 521945995 /nfs/dbraw/zinc/94/59/95/521945995.db2.gz RKHYRZMQYWYPGP-XPERVBFOSA-N 0 0 443.868 4.080 40 10 IICBRN O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NCCc1ccccc1 ZINC000012276179 526475466 /nfs/dbraw/zinc/47/54/66/526475466.db2.gz IEMOUWUOGIXQRB-JXAWBTAJSA-N 0 0 430.982 4.290 40 10 IICBRN O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000020753412 526909452 /nfs/dbraw/zinc/90/94/52/526909452.db2.gz RHUTWOQUMFUPCM-BYYHNAKLSA-N 0 0 434.427 4.153 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000408582165 555933497 /nfs/dbraw/zinc/93/34/97/555933497.db2.gz BTGFMGAFPGBQPF-YBEGLDIGSA-N 0 0 443.799 4.034 40 10 IICBRN CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3CC)C2=O)cc1 ZINC000008819089 556218622 /nfs/dbraw/zinc/21/86/22/556218622.db2.gz YGIVCZAAOBADMP-CPNJWEJPSA-N 0 0 426.563 4.488 40 10 IICBRN CCN(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C\c2ccccc2F)SC1=S ZINC000008819274 556218948 /nfs/dbraw/zinc/21/89/48/556218948.db2.gz CNYHLCQBYBBHFF-XMHGGMMESA-N 0 0 428.554 4.466 40 10 IICBRN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3OC)SC2=S)cc1 ZINC000008821583 556223131 /nfs/dbraw/zinc/22/31/31/556223131.db2.gz XCKKXACWIHUQEM-AQTBWJFISA-N 0 0 445.562 4.165 40 10 IICBRN Cn1c(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc2ccccc21 ZINC000008821933 556223913 /nfs/dbraw/zinc/22/39/13/556223913.db2.gz CNYHALKHFBNJDX-GZTJUZNOSA-N 0 0 427.938 4.378 40 10 IICBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)c1 ZINC000015013539 556484539 /nfs/dbraw/zinc/48/45/39/556484539.db2.gz CRTKHXFLKOTAHQ-HZHRSRAPSA-N 0 0 443.503 4.364 40 10 IICBRN O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccccc1Br ZINC000013547692 556514123 /nfs/dbraw/zinc/51/41/23/556514123.db2.gz OXIVEDWVKDHTBU-RGEXLXHISA-N 0 0 442.382 4.237 40 10 IICBRN Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)c1 ZINC000018084155 556683402 /nfs/dbraw/zinc/68/34/02/556683402.db2.gz VVTKWUUSERNDRC-HJOGWXRNSA-N 0 0 427.504 4.112 40 10 IICBRN CCN(c1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1)S(C)(=O)=O ZINC000260453289 556720167 /nfs/dbraw/zinc/72/01/67/556720167.db2.gz IMVWUBYTAREEIN-RBUKOAKNSA-N 0 0 443.613 4.200 40 10 IICBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)o1 ZINC000033912670 556723739 /nfs/dbraw/zinc/72/37/39/556723739.db2.gz SKCXYJJBDROKPM-XGRCKQMDSA-N 0 0 449.370 4.345 40 10 IICBRN COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)c1 ZINC000000894251 556740456 /nfs/dbraw/zinc/74/04/56/556740456.db2.gz TVZKIRVJCCVIQC-UHFFFAOYSA-N 0 0 438.465 4.140 40 10 IICBRN O=C1NC(=S)NC(=O)C1=Cc1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408780559 556854462 /nfs/dbraw/zinc/85/44/62/556854462.db2.gz DQKMFBQQBCOVAN-UHFFFAOYSA-N 0 0 441.965 4.001 40 10 IICBRN Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1cccc(I)c1 ZINC000408810076 556862046 /nfs/dbraw/zinc/86/20/46/556862046.db2.gz IHCHMECKNYQWQG-NVNXTCNLSA-N 0 0 438.290 4.365 40 10 IICBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000408894297 556880378 /nfs/dbraw/zinc/88/03/78/556880378.db2.gz PQRCUDDLDQUGLE-HMAPJEAMSA-N 0 0 429.472 4.427 40 10 IICBRN CCCOc1ccc(/C=C2\C(=O)N(Cc3ccco3)C(C)=C2C(=O)OC)cc1OCC ZINC000408978478 556908441 /nfs/dbraw/zinc/90/84/41/556908441.db2.gz MHCDLPQLGXHPIP-UYRXBGFRSA-N 0 0 425.481 4.340 40 10 IICBRN CCN1C(=O)C(=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)NC1=S ZINC000409005941 556916096 /nfs/dbraw/zinc/91/60/96/556916096.db2.gz HKDNNAQEMRASGX-YBEGLDIGSA-N 0 0 447.354 4.114 40 10 IICBRN CCCN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2)NC1=S ZINC000409081793 556947615 /nfs/dbraw/zinc/94/76/15/556947615.db2.gz QPSQTOYCNRZWPX-ATVHPVEESA-N 0 0 431.355 4.496 40 10 IICBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)C1=O ZINC000409100385 556955216 /nfs/dbraw/zinc/95/52/16/556955216.db2.gz MZQVSOLXUFSMIB-RVZJCZPVSA-N 0 0 435.505 4.240 40 10 IICBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=S)N(CC)C3=O)c2C)cc1 ZINC000409148360 556973798 /nfs/dbraw/zinc/97/37/98/556973798.db2.gz PLQPETHPBDSWCM-ZHZULCJRSA-N 0 0 425.554 4.129 40 10 IICBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)c(Cl)c1 ZINC000409149984 556974816 /nfs/dbraw/zinc/97/48/16/556974816.db2.gz XBTWFUNHBKKVJV-OQLLNIDSSA-N 0 0 433.898 4.103 40 10 IICBRN O=C(Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21)NC1CC1 ZINC000409145421 556976761 /nfs/dbraw/zinc/97/67/61/556976761.db2.gz IBWWVMLCKZVWTP-NDENLUEZSA-N 0 0 433.558 4.326 40 10 IICBRN COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OC ZINC000409145935 556976936 /nfs/dbraw/zinc/97/69/36/556976936.db2.gz QQQQQCSIWIZCFL-LICLKQGHSA-N 0 0 448.953 4.212 40 10 IICBRN CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(CC(N)=O)c21 ZINC000409146226 556977220 /nfs/dbraw/zinc/97/72/20/556977220.db2.gz KEJDNJNZOPMWSM-MOSHPQCFSA-N 0 0 449.601 4.133 40 10 IICBRN CCOc1ccc2ccc(OCC)c(/C=C3\SC(=S)N(CC(=O)OC)C3=O)c2c1 ZINC000409216748 557011614 /nfs/dbraw/zinc/01/16/14/557011614.db2.gz OEADMKNDBRBTAO-WQRHYEAKSA-N 0 0 431.535 4.011 40 10 IICBRN CCOc1c(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cccc1OC ZINC000409341218 557068697 /nfs/dbraw/zinc/06/86/97/557068697.db2.gz AHTBKXUUIWNGLI-LFIBNONCSA-N 0 0 448.953 4.294 40 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557342689 /nfs/dbraw/zinc/34/26/89/557342689.db2.gz XXWHTMYXYHAYLO-IBGZPJMESA-N 0 0 443.613 4.118 40 10 IICBRN O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc2oc(=O)ccc2c1 ZINC000033542466 557409623 /nfs/dbraw/zinc/40/96/23/557409623.db2.gz RNWJBQAOLDSFIL-LDADJPATSA-N 0 0 436.514 4.023 40 10 IICBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccccc1Br ZINC000014414323 557445342 /nfs/dbraw/zinc/44/53/42/557445342.db2.gz IIBTYXZFGCBDQE-JXAWBTAJSA-N 0 0 426.310 4.364 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000014413772 557445367 /nfs/dbraw/zinc/44/53/67/557445367.db2.gz JEQYQRBVDHADER-SXGWCWSVSA-N 0 0 431.847 4.374 40 10 IICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccn1 ZINC000223299886 557456997 /nfs/dbraw/zinc/45/69/97/557456997.db2.gz COTREUNHWKPNTF-OFAXGOBFSA-N 0 0 433.581 4.036 40 10 IICBRN Cc1ccccc1N1O[C@@H]2C(=O)N(c3ccccc3C)C(=O)[C@@H]2[C@@H]1c1ccc(N(C)C)cc1 ZINC000169690230 557461085 /nfs/dbraw/zinc/46/10/85/557461085.db2.gz 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IICBRN C[C@@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)c1ccc(N2CCCCC2)cc1 ZINC000224391792 557600956 /nfs/dbraw/zinc/60/09/56/557600956.db2.gz WMHUYJSBAFRYAH-LJQANCHMSA-N 0 0 441.597 4.098 40 10 IICBRN CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1NC(C)=O ZINC000224487666 557611656 /nfs/dbraw/zinc/61/16/56/557611656.db2.gz BEXUKOQCTCHWAF-MRXNPFEDSA-N 0 0 447.626 4.397 40 10 IICBRN C[C@@H]1CCCN(c2cc(Cl)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 ZINC000225956810 557796854 /nfs/dbraw/zinc/79/68/54/557796854.db2.gz YTCWKBNMVIONNB-MRXNPFEDSA-N 0 0 445.036 4.453 40 10 IICBRN CCOc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)cc1 ZINC000041076742 557805806 /nfs/dbraw/zinc/80/58/06/557805806.db2.gz UWHALSUGFQSROZ-JSIBOBQWSA-N 0 0 431.477 4.136 40 10 IICBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000058865871 557812341 /nfs/dbraw/zinc/81/23/41/557812341.db2.gz FEJUVXBGRNIIRE-UHFFFAOYSA-N 0 0 448.225 4.371 40 10 IICBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000059417940 557822990 /nfs/dbraw/zinc/82/29/90/557822990.db2.gz QSASDTFUNWIKTQ-XSFVSMFZSA-N 0 0 439.537 4.425 40 10 IICBRN CC(C)OC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S ZINC000001276883 568891359 /nfs/dbraw/zinc/89/13/59/568891359.db2.gz CEYJAYNBRBZFFY-UNOMPAQXSA-N 0 0 427.547 4.418 40 10 IICBRN O=C(c1coc2ccc([O-])c(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c12)c1ccccc1 ZINC000257199116 568921885 /nfs/dbraw/zinc/92/18/85/568921885.db2.gz TUYDETQIFLBEGM-PKOBYXMFSA-N 0 0 440.499 4.150 40 10 IICBRN COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000035169031 569260224 /nfs/dbraw/zinc/26/02/24/569260224.db2.gz XDRMSYZXVSIBLZ-PZLPMSIKSA-N 0 0 433.504 4.117 40 10 IICBRN C#CCOc1cc(Br)c(/C=C2\SC(=S)N(CC)C2=O)cc1OCC ZINC000107551293 569260454 /nfs/dbraw/zinc/26/04/54/569260454.db2.gz XYYMFGPRLWNVKZ-DHDCSXOGSA-N 0 0 426.357 4.081 40 10 IICBRN CCN1C(=O)/C(=C/c2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2)SC1=S ZINC000107865240 569260609 /nfs/dbraw/zinc/26/06/09/569260609.db2.gz 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ZINC000100898159 556599850 /nfs/dbraw/zinc/59/98/50/556599850.db2.gz OBCHLMTVSZBEEC-VSKRKVRLSA-N 0 0 434.879 4.405 40 10 IICBRN CCc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000101025067 556644059 /nfs/dbraw/zinc/64/40/59/556644059.db2.gz KRWAHTYTUHKDKY-DSITVLBTSA-N 0 0 441.531 4.366 40 10 IICBRN COc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000408761926 556688132 /nfs/dbraw/zinc/68/81/32/556688132.db2.gz HWQFTXQMADRICE-FYJGNVAPSA-N 0 0 428.444 4.267 40 10 IICBRN COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2OC)cc1 ZINC000408848532 556870281 /nfs/dbraw/zinc/87/02/81/556870281.db2.gz XCRLWXIPAMWBOE-RCCKNPSSSA-N 0 0 429.432 4.447 40 10 IICBRN CN(C)c1oc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1Br ZINC000408974475 556905220 /nfs/dbraw/zinc/90/52/20/556905220.db2.gz ZMEFFGJMOZACOR-WQLSENKSSA-N 0 0 428.208 4.457 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 ZINC000408976884 556906557 /nfs/dbraw/zinc/90/65/57/556906557.db2.gz GYCCORGTYPFAGF-YVLHZVERSA-N 0 0 443.883 4.243 40 10 IICBRN COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C1=O ZINC000409074784 556943492 /nfs/dbraw/zinc/94/34/92/556943492.db2.gz RNCVAKVNJXKPNO-VVSAQIQQSA-N 0 0 448.928 4.354 40 10 IICBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1 ZINC000409208025 556996962 /nfs/dbraw/zinc/99/69/62/556996962.db2.gz DWQKURXLTQSADS-JCMHNJIXSA-N 0 0 449.576 4.154 40 10 IICBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000409240295 557021592 /nfs/dbraw/zinc/02/15/92/557021592.db2.gz SHIAPVFFRSEUIM-WSDLNYQXSA-N 0 0 430.464 4.404 40 10 IICBRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC1=S ZINC000409343046 557070491 /nfs/dbraw/zinc/07/04/91/557070491.db2.gz DGCNCHJFFMXVCW-UYRXBGFRSA-N 0 0 441.534 4.146 40 10 IICBRN COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OC ZINC000409347400 557075669 /nfs/dbraw/zinc/07/56/69/557075669.db2.gz PWLOFJDLBPGFOW-APSNUPSMSA-N 0 0 435.910 4.492 40 10 IICBRN CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)o2)cc1 ZINC000001168304 557119646 /nfs/dbraw/zinc/11/96/46/557119646.db2.gz QDBXWSNQISNTCA-LDADJPATSA-N 0 0 434.404 4.219 40 10 IICBRN COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c1 ZINC000021124089 557135617 /nfs/dbraw/zinc/13/56/17/557135617.db2.gz ZNCUTPZXKBPBOV-ZZXKWVIFSA-N 0 0 437.323 4.499 40 10 IICBRN Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000103698562 557138685 /nfs/dbraw/zinc/13/86/85/557138685.db2.gz WGVMIZPFGGJCKW-XKZIYDEJSA-N 0 0 446.482 4.073 40 10 IICBRN COc1cc(NC(C)=C2C(C)=NN(c3nc4ccccc4s3)C2=O)cc(OC)c1OC ZINC000103916913 557140687 /nfs/dbraw/zinc/14/06/87/557140687.db2.gz UPRQZRPEBFFRPM-UNOMPAQXSA-N 0 0 438.509 4.431 40 10 IICBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1F)c1cccc(Cl)c1 ZINC000008810253 557172204 /nfs/dbraw/zinc/17/22/04/557172204.db2.gz IHQYKSYOAVCCIL-UHFFFAOYSA-N 0 0 448.859 4.261 40 10 IICBRN C[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219138625 557227649 /nfs/dbraw/zinc/22/76/49/557227649.db2.gz DCUDJHBQHZERPU-MOPGFXCFSA-N 0 0 433.552 4.177 40 10 IICBRN COc1ccccc1CNC(C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000112291552 557238790 /nfs/dbraw/zinc/23/87/90/557238790.db2.gz OKNUBXCIONKMHP-QJOMJCCJSA-N 0 0 442.475 4.418 40 10 IICBRN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NCc2ccc3c(c2)OCO3)cc1 ZINC000112292639 557239293 /nfs/dbraw/zinc/23/92/93/557239293.db2.gz BFUFBPJMSFPHJZ-ULJHMMPZSA-N 0 0 441.487 4.239 40 10 IICBRN CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000113837253 557307858 /nfs/dbraw/zinc/30/78/58/557307858.db2.gz ZBAFFTXDGJPCKP-LDADJPATSA-N 0 0 429.519 4.043 40 10 IICBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C ZINC000222809948 557389305 /nfs/dbraw/zinc/38/93/05/557389305.db2.gz LEDGJEGNZVBURQ-FCHUYYIVSA-N 0 0 434.565 4.268 40 10 IICBRN O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCCC[C@@H]1c1cccnc1 ZINC000033539655 557409430 /nfs/dbraw/zinc/40/94/30/557409430.db2.gz WHDBAOTXDSVWFQ-PCJMVEANSA-N 0 0 429.592 4.098 40 10 IICBRN O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)NCCc1c[nH]c2ccccc12 ZINC000033588827 557414444 /nfs/dbraw/zinc/41/44/44/557414444.db2.gz PBPOPDALLMVAMT-XSFVSMFZSA-N 0 0 435.574 4.118 40 10 IICBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(OC)c2)c1C ZINC000223010826 557414990 /nfs/dbraw/zinc/41/49/90/557414990.db2.gz GYSAKVJVZPTNHC-PKTZIBPZSA-N 0 0 436.581 4.117 40 10 IICBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C ZINC000223055331 557422633 /nfs/dbraw/zinc/42/26/33/557422633.db2.gz FQQCGNQWTDUBLE-XZOQPEGZSA-N 0 0 436.581 4.204 40 10 IICBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cccc(OCC)c1O ZINC000014406703 557443881 /nfs/dbraw/zinc/44/38/81/557443881.db2.gz FJCZHFAGPJKMLS-HKWRFOASSA-N 0 0 437.492 4.457 40 10 IICBRN CCN(CC)c1ccc([C@H]2C(C(=O)OCCOC)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000017098979 557481930 /nfs/dbraw/zinc/48/19/30/557481930.db2.gz 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CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000225847148 557784818 /nfs/dbraw/zinc/78/48/18/557784818.db2.gz KQTSQWPTRVMTJQ-QHCPKHFHSA-N 0 0 445.629 4.011 40 10 IICBRN Cc1ccc(COc2c(Cl)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2Cl)cc1 ZINC000059139449 557816741 /nfs/dbraw/zinc/81/67/41/557816741.db2.gz FJGJNCJBDDPXOH-UHFFFAOYSA-N 0 0 449.359 4.480 40 10 IICBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 ZINC000059959163 557827886 /nfs/dbraw/zinc/82/78/86/557827886.db2.gz XGWQVIHKJVZQJZ-SXGWCWSVSA-N 0 0 428.828 4.134 40 10 IICBRN Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N(C)C2=O)c1 ZINC000026743950 568916070 /nfs/dbraw/zinc/91/60/70/568916070.db2.gz NHLAUUSKXKFTNB-PDGQHHTCSA-N 0 0 430.507 4.192 40 10 IICBRN CCc1cccc2c(/C=C3\SC(=S)N(NC(=O)c4ccc(OC)cc4)C3=O)c[nH]c21 ZINC000038160951 569260179 /nfs/dbraw/zinc/26/01/79/569260179.db2.gz KWPAUAPAAOAXMG-WQRHYEAKSA-N 0 0 437.546 4.285 40 10 IICBRN CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OCc1ccccc1Cl ZINC000002812444 569423047 /nfs/dbraw/zinc/42/30/47/569423047.db2.gz IUCMXVFUULMCKB-YBFXNURJSA-N 0 0 430.913 4.424 40 10 IICBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3[N+](=O)[O-])c(OC)c2)SC1=S ZINC000006178496 193888673 /nfs/dbraw/zinc/88/86/73/193888673.db2.gz LJPBBXAGNVZHJQ-WOJGMQOQSA-N 0 0 430.507 4.404 40 10 IICBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1 ZINC000041078526 521959054 /nfs/dbraw/zinc/95/90/54/521959054.db2.gz HIZPIQIRGPMIMZ-HAHUYDAESA-N 0 0 447.491 4.220 40 10 IICBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1cc(C)ccc1C ZINC000041078510 521960824 /nfs/dbraw/zinc/96/08/24/521960824.db2.gz YSUFZPDENMSAMP-ATUMBRMBSA-N 0 0 447.491 4.220 40 10 IICBRN COc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000041083261 523127001 /nfs/dbraw/zinc/12/70/01/523127001.db2.gz GDKNRRSGTDEGAT-ZSCJGDHMSA-N 0 0 439.453 4.139 40 10 IICBRN C[C@H](NS(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C1C2CC3CC(C2)CC1C3 ZINC000012284757 525510759 /nfs/dbraw/zinc/51/07/59/525510759.db2.gz BZGZVTBXLWFZNF-AHWLFITASA-N 0 0 449.572 4.201 40 10 IICBRN CC(C)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)SC1=S ZINC000408578302 555918742 /nfs/dbraw/zinc/91/87/42/555918742.db2.gz XIMSCZCIJFXBJA-WQRHYEAKSA-N 0 0 430.526 4.453 40 10 IICBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC ZINC000408585111 555935610 /nfs/dbraw/zinc/93/56/10/555935610.db2.gz AGSQWMJSYKLFDY-UYRXBGFRSA-N 0 0 437.492 4.206 40 10 IICBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCC(C)C)SC2=S)cc1 ZINC000408600467 555958963 /nfs/dbraw/zinc/95/89/63/555958963.db2.gz ZFHVXODTNYZVDM-XDHOZWIPSA-N 0 0 442.562 4.276 40 10 IICBRN Cn1cc(/C=C2\SC(NC(=O)c3ccccc3Br)=NC2=O)c2ccccc21 ZINC000008821938 556224216 /nfs/dbraw/zinc/22/42/16/556224216.db2.gz YELXEINEOFNFEI-YVLHZVERSA-N 0 0 440.322 4.341 40 10 IICBRN COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000015228051 556512723 /nfs/dbraw/zinc/51/27/23/556512723.db2.gz QRVRBKSEELOAHB-IQDKPADRSA-N 0 0 433.504 4.117 40 10 IICBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)S1 ZINC000032111817 556530639 /nfs/dbraw/zinc/53/06/39/556530639.db2.gz HRSQYDQPWORHHB-RQZCQDPDSA-N 0 0 449.301 4.274 40 10 IICBRN Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1NS(C)(=O)=O ZINC000260452838 556719891 /nfs/dbraw/zinc/71/98/91/556719891.db2.gz ACGXJFGUJJOFMO-FUHWJXTLSA-N 0 0 429.586 4.094 40 10 IICBRN Cc1ccc(C(=O)Oc2ccc(Br)cc2C=C2SC(=S)NC2=O)cc1 ZINC000408878721 556877539 /nfs/dbraw/zinc/87/75/39/556877539.db2.gz CWUZCXRMTGMJCP-DHDCSXOGSA-N 0 0 434.336 4.466 40 10 IICBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000408891725 556881212 /nfs/dbraw/zinc/88/12/12/556881212.db2.gz CDJWCAOEIXKXPG-KQWNVCNZSA-N 0 0 443.499 4.469 40 10 IICBRN CCOC(=O)COc1ccc(Br)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C ZINC000408904630 556883920 /nfs/dbraw/zinc/88/39/20/556883920.db2.gz MLBUTRXCROOHDO-LDADJPATSA-N 0 0 443.297 4.197 40 10 IICBRN CCCN1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)C(=O)N(c2ccccc2)C1=S ZINC000409022722 556923041 /nfs/dbraw/zinc/92/30/41/556923041.db2.gz QGTMBSXDRGMSNL-XMHGGMMESA-N 0 0 438.549 4.436 40 10 IICBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000409023581 556923565 /nfs/dbraw/zinc/92/35/65/556923565.db2.gz ZEVIWVIHVWVNRT-WSDLNYQXSA-N 0 0 446.482 4.073 40 10 IICBRN COCCN1C(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N(c2ccccc2)C1=O ZINC000409019366 556924070 /nfs/dbraw/zinc/92/40/70/556924070.db2.gz ISWROQRTSYDWMN-PGMHBOJBSA-N 0 0 449.894 4.156 40 10 IICBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c([N+](=O)[O-])cc1OC ZINC000409053080 556931339 /nfs/dbraw/zinc/93/13/39/556931339.db2.gz XBWSZBFKIGOLFL-NVMNQCDNSA-N 0 0 430.507 4.322 40 10 IICBRN COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)C(C(=O)OC)=C1C ZINC000409058579 556935632 /nfs/dbraw/zinc/93/56/32/556935632.db2.gz SSRJCLMRJDNHNG-NDENLUEZSA-N 0 0 442.943 4.375 40 10 IICBRN CN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)NC1=S ZINC000409147515 556973401 /nfs/dbraw/zinc/97/34/01/556973401.db2.gz ZWXZWAPJULBEFT-PXNMLYILSA-N 0 0 444.343 4.253 40 10 IICBRN CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(CC(N)=O)c21 ZINC000409143133 556975480 /nfs/dbraw/zinc/97/54/80/556975480.db2.gz ZFGUFQRYMDSGBE-UNOMPAQXSA-N 0 0 441.622 4.471 40 10 IICBRN COc1cc(N2CCCCC2)ccc1/C=C1\NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000409239619 557020705 /nfs/dbraw/zinc/02/07/05/557020705.db2.gz ZQHJVTMMOYOLTG-MOSHPQCFSA-N 0 0 425.916 4.432 40 10 IICBRN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccnc2)SC1=S ZINC000409369332 557089098 /nfs/dbraw/zinc/08/90/98/557089098.db2.gz KYEKCNZYNLCJPQ-AWNIVKPZSA-N 0 0 425.322 4.326 40 10 IICBRN Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000409389106 557100470 /nfs/dbraw/zinc/10/04/70/557100470.db2.gz AJZKJXIHXXAWOU-RMORIDSASA-N 0 0 443.528 4.210 40 10 IICBRN Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000010112164 557204404 /nfs/dbraw/zinc/20/44/04/557204404.db2.gz FBBATNQNHSKOAN-UHFFFAOYSA-N 0 0 449.576 4.326 40 10 IICBRN COc1cccc(CNC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c1 ZINC000112291498 557238819 /nfs/dbraw/zinc/23/88/19/557238819.db2.gz QIBQDDIJKYFKCG-QJOMJCCJSA-N 0 0 442.475 4.418 40 10 IICBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000014414296 557445334 /nfs/dbraw/zinc/44/53/34/557445334.db2.gz OTUFYCHERKLQDW-WQRHYEAKSA-N 0 0 442.309 4.336 40 10 IICBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(F)c(Cl)c3)C(C)=C2C(=O)OC)ccc1O ZINC000014413784 557445363 /nfs/dbraw/zinc/44/53/63/557445363.db2.gz YGEGOYLQQJUZIW-DHDCSXOGSA-N 0 0 431.847 4.461 40 10 IICBRN COc1ccc(N2N=C(c3ccccc3)C(=C(C)NCCc3ccc(O)cc3)C2=O)cc1 ZINC000017095411 557486186 /nfs/dbraw/zinc/48/61/86/557486186.db2.gz UIANXQNZZACNRP-MOHJPFBDSA-N 0 0 427.504 4.258 40 10 IICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1Cl ZINC000223576709 557487917 /nfs/dbraw/zinc/48/79/17/557487917.db2.gz SSLCJOUKSNSFOC-LEWJYISDSA-N 0 0 426.973 4.107 40 10 IICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1c(C)cc(C)cc1C ZINC000223581931 557488656 /nfs/dbraw/zinc/48/86/56/557488656.db2.gz QZPZOBKHBQTBKN-ISKFKSNPSA-N 0 0 434.609 4.379 40 10 IICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cc(C)ccc1C ZINC000223620417 557493050 /nfs/dbraw/zinc/49/30/50/557493050.db2.gz WFPDZROUEJVTBR-BJKOFHAPSA-N 0 0 434.609 4.461 40 10 IICBRN Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000059138723 557816303 /nfs/dbraw/zinc/81/63/03/557816303.db2.gz CMAIEGPUIKMPDX-XQNSMLJCSA-N 0 0 442.519 4.169 40 10 IICBRN O=S(=O)(c1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1)N1CCOCC1 ZINC000253490387 569208623 /nfs/dbraw/zinc/20/86/23/569208623.db2.gz IMVKAGZGDRSPDF-LQWHRVPQSA-N 0 0 430.957 4.187 40 10 IICBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCC(C)C)cc3)SC2=S)cc1 ZINC000033524185 569259348 /nfs/dbraw/zinc/25/93/48/569259348.db2.gz ZRTRCWWOHRXEFG-UNOMPAQXSA-N 0 0 442.562 4.276 40 10 IICBRN Cc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(CC(=O)N2CCCCC2)C1=O ZINC000033787292 569259931 /nfs/dbraw/zinc/25/99/31/569259931.db2.gz SRJPCOQAOQABCN-HKWRFOASSA-N 0 0 427.570 4.034 40 10 IICBRN COC(=O)[C@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000009010024 569293038 /nfs/dbraw/zinc/29/30/38/569293038.db2.gz RFAJRKWQTJNEBK-WXFUMESZSA-N 0 0 435.479 4.293 40 10 IICBRN O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(Br)cc1 ZINC000008821892 132295040 /nfs/dbraw/zinc/29/50/40/132295040.db2.gz OCVBJHBMXSBFFH-JXAWBTAJSA-N 0 0 428.355 4.242 40 10 IICBRN COc1ccc(CN(Cc2ccncc2)Cc2ccc(N3CCOCC3)cc2OC)cc1 ZINC000013570273 132350650 /nfs/dbraw/zinc/35/06/50/132350650.db2.gz LWECKJYBGOTYAC-UHFFFAOYSA-N 0 0 433.552 4.138 40 10 IICBRN CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000020802752 521278344 /nfs/dbraw/zinc/27/83/44/521278344.db2.gz KOHXXMVTZUMICC-DHIUTWEWSA-N 0 0 448.567 4.264 40 10 IICBRN CN(C)c1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000012490047 522185665 /nfs/dbraw/zinc/18/56/65/522185665.db2.gz CTWMMFHPMGULKQ-NRFANRHFSA-N 0 0 434.931 4.479 40 10 biogenic,in-vitro IICBRN CCCOc1c(Br)cc(C=C2SC(=S)NC2=O)cc1Br ZINC000408527296 555717580 /nfs/dbraw/zinc/71/75/80/555717580.db2.gz ABVMQTWUJCVWNM-POHAHGRESA-N 0 0 437.178 4.489 40 10 IICBRN COc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408527643 555718187 /nfs/dbraw/zinc/71/81/87/555718187.db2.gz BCKJXYCHHVJMNI-IUXPMGMMSA-N 0 0 448.953 4.163 40 10 IICBRN COCCCN1C(=O)/C(=C2/c3ccccc3N(Cc3ccc(C)cc3)C2=O)SC1=S ZINC000002509025 555785053 /nfs/dbraw/zinc/78/50/53/555785053.db2.gz QECKEMOMIXWTCO-FMQUCBEESA-N 0 0 438.574 4.150 40 10 IICBRN O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)c3ccccc23)C1=O)N1CCCC1 ZINC000408552394 555879128 /nfs/dbraw/zinc/87/91/28/555879128.db2.gz SSXAPWCEISXIBU-RCCKNPSSSA-N 0 0 435.549 4.099 40 10 IICBRN O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1)N1CCCC1 ZINC000408571516 555915121 /nfs/dbraw/zinc/91/51/21/555915121.db2.gz BMWPINSETAQQAG-UYRXBGFRSA-N 0 0 442.537 4.233 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000408588376 555938893 /nfs/dbraw/zinc/93/88/93/555938893.db2.gz VUCWPQHZPBDMDN-YBEGLDIGSA-N 0 0 432.245 4.171 40 10 IICBRN CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(OC)cc3-n3c(C)ccc3C)CC2=O)cc1 ZINC000408707371 556113763 /nfs/dbraw/zinc/11/37/63/556113763.db2.gz JMEBEZIBZABKAU-LJQANCHMSA-N 0 0 447.535 4.493 40 10 IICBRN Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccc(I)c(C)c1 ZINC000408741114 556213542 /nfs/dbraw/zinc/21/35/42/556213542.db2.gz KEYMJSSHHNHVTR-UHFFFAOYSA-N 0 0 440.350 4.015 40 10 IICBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3OCC)C2=O)cc1 ZINC000008819082 556218652 /nfs/dbraw/zinc/21/86/52/556218652.db2.gz YPSPBDYBWDKXBR-UYRXBGFRSA-N 0 0 442.562 4.324 40 10 IICBRN COc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccc(OC)c3)SC2=S)cc1 ZINC000008819150 556218690 /nfs/dbraw/zinc/21/86/90/556218690.db2.gz KOPXTSWLPCYZOG-RGEXLXHISA-N 0 0 442.562 4.324 40 10 IICBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cc(C)on3)C2=O)cc1 ZINC000008819885 556219762 /nfs/dbraw/zinc/21/97/62/556219762.db2.gz LSNYEMLORQFWBB-LGMDPLHJSA-N 0 0 445.566 4.392 40 10 IICBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2nnc(C)s2)C1=O ZINC000008820585 556220782 /nfs/dbraw/zinc/22/07/82/556220782.db2.gz OJSNTJVBRKJYFC-DXHZZVMKSA-N 0 0 444.607 4.413 40 10 IICBRN COC(=O)c1c2c(sc1-n1c(C)cc(C=C3SC(=S)NC3=O)c1C)CCCC2 ZINC000408775936 556847454 /nfs/dbraw/zinc/84/74/54/556847454.db2.gz XBOVQKFAJDIKRV-OQLLNIDSSA-N 0 0 432.592 4.310 40 10 IICBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OC ZINC000408997308 556912411 /nfs/dbraw/zinc/91/24/11/556912411.db2.gz MOZBOPIOUCHFCT-ATVHPVEESA-N 0 0 428.282 4.335 40 10 IICBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1OC ZINC000408999187 556913620 /nfs/dbraw/zinc/91/36/20/556913620.db2.gz SYXRGHDMVOLOMC-PTNGSMBKSA-N 0 0 446.272 4.474 40 10 IICBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3Cl)C(C(=O)OC)=C2C)cc1 ZINC000409017707 556919591 /nfs/dbraw/zinc/91/95/91/556919591.db2.gz GTAQRVWZEBWBIB-AQTBWJFISA-N 0 0 425.868 4.394 40 10 IICBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(OC)c(Cl)c3)C(C)=C2C(=O)OC)ccc1O ZINC000409018900 556923754 /nfs/dbraw/zinc/92/37/54/556923754.db2.gz WQDOUHAWTFGRAZ-YBEGLDIGSA-N 0 0 443.883 4.330 40 10 IICBRN O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O)Nc1ccccc1 ZINC000409065086 556941169 /nfs/dbraw/zinc/94/11/69/556941169.db2.gz GAWVEHNXKIAHEA-UYRXBGFRSA-N 0 0 425.485 4.101 40 10 IICBRN COc1c(Cl)cc(Br)cc1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O ZINC000409079890 556947018 /nfs/dbraw/zinc/94/70/18/556947018.db2.gz CBIUYGCEGWHBQZ-RYPVXOHGSA-N 0 0 448.791 4.491 40 10 IICBRN O=C1S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1CC1CCCCC1 ZINC000409125752 556965191 /nfs/dbraw/zinc/96/51/91/556965191.db2.gz KEPCFDOIUQVKBD-CPNJWEJPSA-N 0 0 431.514 4.048 40 10 IICBRN COCCN1C(=O)[C@@H](Cc2ccc(OCc3ccc(F)cc3)c(Cl)c2)SC1=S ZINC000409145328 556976777 /nfs/dbraw/zinc/97/67/77/556976777.db2.gz NSYBPVVTDNPPFZ-GOSISDBHSA-N 0 0 439.961 4.476 40 10 IICBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)c(Cl)c1 ZINC000409146042 556976989 /nfs/dbraw/zinc/97/69/89/556976989.db2.gz PZBRPMFNEDGNIT-OQLLNIDSSA-N 0 0 433.898 4.103 40 10 IICBRN COc1ccc(C[C@@H]2SC(=S)N(CCc3ccccc3)C2=O)cc1Br ZINC000409146392 556977155 /nfs/dbraw/zinc/97/71/55/556977155.db2.gz SPFQWJNQCWLCJG-KRWDZBQOSA-N 0 0 436.396 4.472 40 10 IICBRN COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000409177100 556986410 /nfs/dbraw/zinc/98/64/10/556986410.db2.gz ANJQXTDGAJKVIW-PXNMLYILSA-N 0 0 437.901 4.437 40 10 IICBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1 ZINC000409200523 556999928 /nfs/dbraw/zinc/99/99/28/556999928.db2.gz HXOSRVJBHFLPQC-ZHZULCJRSA-N 0 0 439.537 4.216 40 10 IICBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)c(C)n1-c1ccccn1 ZINC000409221273 557016733 /nfs/dbraw/zinc/01/67/33/557016733.db2.gz NUPAVRINQIMRKW-MOSHPQCFSA-N 0 0 446.532 4.473 40 10 IICBRN O=C1/C(=C\c2ccc(I)o2)SC(=S)N1c1ccccc1F ZINC000409348224 557076254 /nfs/dbraw/zinc/07/62/54/557076254.db2.gz RTSBHJWEAWFZBM-YRNVUSSQSA-N 0 0 431.251 4.429 40 10 IICBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3OC(C)C)SC2=S)cc1 ZINC000409345882 557082299 /nfs/dbraw/zinc/08/22/99/557082299.db2.gz MOQAZPZQFFPDQI-PDGQHHTCSA-N 0 0 428.535 4.029 40 10 IICBRN COCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccc(N(C)C)cc1 ZINC000006135824 557145589 /nfs/dbraw/zinc/14/55/89/557145589.db2.gz QURWEWNBAONCQL-UHFFFAOYSA-N 0 0 428.533 4.132 40 10 IICBRN O=C(COc1cccc(C=C2SC(=S)NC2=O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000106884270 557162410 /nfs/dbraw/zinc/16/24/10/557162410.db2.gz FYFCZXAFALJUBU-VIZOYTHASA-N 0 0 439.345 4.500 40 10 IICBRN Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218579628 557208318 /nfs/dbraw/zinc/20/83/18/557208318.db2.gz YMLFCBRNRCRAGK-AEFFLSMTSA-N 0 0 429.586 4.094 40 10 IICBRN CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218641103 557212015 /nfs/dbraw/zinc/21/20/15/557212015.db2.gz WQXJBMLTOBLQCJ-SFHVURJKSA-N 0 0 429.586 4.176 40 10 IICBRN CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218641384 557212111 /nfs/dbraw/zinc/21/21/11/557212111.db2.gz AGUIBRMUGUHOAM-QZTJIDSGSA-N 0 0 429.586 4.176 40 10 IICBRN C[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000219138426 557227658 /nfs/dbraw/zinc/22/76/58/557227658.db2.gz NPWVAGLJRNZOMF-IBGZPJMESA-N 0 0 433.552 4.177 40 10 IICBRN COc1ccc(N2N=C(c3ccccc3)C(=C(C)NCc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000112292517 557239342 /nfs/dbraw/zinc/23/93/42/557239342.db2.gz ODJBWKUCVFPCBW-ULJHMMPZSA-N 0 0 441.487 4.239 40 10 IICBRN CCN1C(=O)C(=Cc2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)C(=O)N(CC)C1=S ZINC000113815414 557377039 /nfs/dbraw/zinc/37/70/39/557377039.db2.gz JDFBOEAOGRYKMP-UHFFFAOYSA-N 0 0 431.989 4.351 40 10 IICBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)c([N+](=O)[O-])c1 ZINC000222746328 557382432 /nfs/dbraw/zinc/38/24/32/557382432.db2.gz HQHYHMGGERITLP-SFTDATJTSA-N 0 0 437.525 4.008 40 10 IICBRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000222810142 557389249 /nfs/dbraw/zinc/38/92/49/557389249.db2.gz QSIDJFJWXFKVIO-YADHBBJMSA-N 0 0 434.565 4.268 40 10 IICBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1O ZINC000223310462 557457711 /nfs/dbraw/zinc/45/77/11/557457711.db2.gz LJMSHESNMDDLKS-NWVWQQAFSA-N 0 0 448.592 4.346 40 10 IICBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ncccc1C ZINC000223315853 557458551 /nfs/dbraw/zinc/45/85/51/557458551.db2.gz TVTGSJXVLPYDJG-VJBMBRPKSA-N 0 0 447.608 4.344 40 10 IICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccn1 ZINC000223526437 557482100 /nfs/dbraw/zinc/48/21/00/557482100.db2.gz WLCYIHROZKCFJM-RPWUZVMVSA-N 0 0 440.576 4.452 40 10 IICBRN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NC1CCCCCC1 ZINC000017095013 557485277 /nfs/dbraw/zinc/48/52/77/557485277.db2.gz TUHINCUQQKDYHR-ZHZULCJRSA-N 0 0 426.542 4.148 40 10 IICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(Cl)c1C ZINC000223582212 557488663 /nfs/dbraw/zinc/48/86/63/557488663.db2.gz XGFFNYDFMYLVRY-YADHBBJMSA-N 0 0 441.000 4.416 40 10 IICBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C ZINC000223650070 557497091 /nfs/dbraw/zinc/49/70/91/557497091.db2.gz VQEFGDIMXJTOEU-RPWUZVMVSA-N 0 0 448.592 4.333 40 10 IICBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C ZINC000223650128 557497171 /nfs/dbraw/zinc/49/71/71/557497171.db2.gz VQEFGDIMXJTOEU-BJKOFHAPSA-N 0 0 448.592 4.333 40 10 IICBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C ZINC000223686782 557502294 /nfs/dbraw/zinc/50/22/94/557502294.db2.gz KPBKVEOYLSCIFT-DHIUTWEWSA-N 0 0 434.565 4.025 40 10 IICBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000223687295 557502441 /nfs/dbraw/zinc/50/24/41/557502441.db2.gz LTVVRXNQBDTEPS-RPWUZVMVSA-N 0 0 448.592 4.333 40 10 IICBRN CCN(CC)c1ccc(CN(C(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000028251049 557698900 /nfs/dbraw/zinc/69/89/00/557698900.db2.gz QAOXONSVQHWZME-DNVJHFABSA-N 0 0 446.657 4.287 40 10 IICBRN CCN(CC)c1ccc(CNC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000225673593 557760996 /nfs/dbraw/zinc/76/09/96/557760996.db2.gz FVNRPXLRHMQUDL-UHFFFAOYSA-N 0 0 445.629 4.012 40 10 IICBRN COc1cc(Oc2ccccc2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225951416 557796235 /nfs/dbraw/zinc/79/62/35/557796235.db2.gz UKAFTYSGIFUQCD-UHFFFAOYSA-N 0 0 435.553 4.364 40 10 IICBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000058866012 557812324 /nfs/dbraw/zinc/81/23/24/557812324.db2.gz AMYRFLPFRQWPEN-UHFFFAOYSA-N 0 0 440.364 4.049 40 10 IICBRN Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000059138730 557816339 /nfs/dbraw/zinc/81/63/39/557816339.db2.gz XESUFSJOWMGICT-FYJGNVAPSA-N 0 0 444.447 4.011 40 10 IICBRN CN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N(C)C1=S ZINC000059140013 557817157 /nfs/dbraw/zinc/81/71/57/557817157.db2.gz RZTJLBVNFGNWQM-UHFFFAOYSA-N 0 0 435.332 4.171 40 10 IICBRN CN1C(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccccc23)C(=O)N(C)C1=S ZINC000059182369 557818011 /nfs/dbraw/zinc/81/80/11/557818011.db2.gz GDGMMGQSHXPJBB-UHFFFAOYSA-N 0 0 441.915 4.081 40 10 IICBRN CC(C)OC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000001276833 568788215 /nfs/dbraw/zinc/78/82/15/568788215.db2.gz QSXABLIAQBVNNG-UNOMPAQXSA-N 0 0 427.547 4.418 40 10 IICBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3F)C2=O)o1 ZINC000033627576 569259432 /nfs/dbraw/zinc/25/94/32/569259432.db2.gz KOMRNZQLHBLVOQ-VCHYOVAHSA-N 0 0 430.457 4.042 40 10 IICBRN CC(=O)N1c2ccccc2C(=C2SC(Nc3cccc(Cl)c3Cl)=NC2=O)C1=O ZINC000008871669 569480850 /nfs/dbraw/zinc/48/08/50/569480850.db2.gz JJPZVEVCMGRANV-PEZBUJJGSA-N 0 0 432.288 4.339 40 10 IICBRN CC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4cc(C)ccc4C)cc3)C2=N)S1 ZINC000008983669 569494673 /nfs/dbraw/zinc/49/46/73/569494673.db2.gz DVYWBTZKBKBNRQ-YCWTWADVSA-N 0 0 434.521 4.400 40 10 IICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccn1 ZINC000223299824 193964468 /nfs/dbraw/zinc/96/44/68/193964468.db2.gz COTREUNHWKPNTF-NMNUPHIUSA-N 0 0 433.581 4.036 40 10 IICBRN O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1cccc(Br)c1 ZINC000009189285 132307911 /nfs/dbraw/zinc/30/79/11/132307911.db2.gz YVJHPLWIMXUCGS-AQTBWJFISA-N 0 0 446.345 4.381 40 10 IICBRN COc1ccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1OC ZINC000013547855 132349580 /nfs/dbraw/zinc/34/95/80/132349580.db2.gz KLMUZHPZYMNQHX-MOSHPQCFSA-N 0 0 443.956 4.150 40 10 IICBRN CC(C)C1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3Cl)C2=N)S1 ZINC000041083201 519557722 /nfs/dbraw/zinc/55/77/22/519557722.db2.gz JPPBUXWBIOBTRB-XUTOWMMVSA-N 0 0 442.888 4.314 40 10 IICBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])c(Cl)c3)C(=N)N2O1 ZINC000041078322 520853833 /nfs/dbraw/zinc/85/38/33/520853833.db2.gz DZZRGWHGTHTCIL-RLOMILPJSA-N 0 0 438.827 4.278 40 10 IICBRN CC1=CC2=NC(=O)/C(=C/c3cn(CCOc4ccccc4C)c4ccccc34)C(=N)N2O1 ZINC000041078267 520854025 /nfs/dbraw/zinc/85/40/25/520854025.db2.gz 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ZINC000018068271 569284668 /nfs/dbraw/zinc/28/46/68/569284668.db2.gz VVTKWUUSERNDRC-VXNXHJTFSA-N 0 0 427.504 4.112 40 10 IICBRN CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2ccccc2)cc1 ZINC000006287568 193896386 /nfs/dbraw/zinc/89/63/86/193896386.db2.gz RAQDYFLKIANYMW-JOCHJYFZSA-N 0 0 449.580 4.051 40 10 IICBRN O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1cccc(Br)c1 ZINC000008821891 132294949 /nfs/dbraw/zinc/29/49/49/132294949.db2.gz JCDGEDXVANTKGO-AQTBWJFISA-N 0 0 446.345 4.381 40 10 IICBRN COc1ccc(N2CCN([C@H](c3nnnn3C(C)(C)C)c3ccc(Cl)cc3)CC2)cc1 ZINC000013503972 132347507 /nfs/dbraw/zinc/34/75/07/132347507.db2.gz CUZJXIODKXJZJY-NRFANRHFSA-N 0 0 440.979 4.002 40 10 IICBRN CCCCN1c2nc3ccccc3n2[C@@H](c2ccc(N(C)C)cc2)[C@H](C(=O)OCC)C1=O ZINC000020638384 520601133 /nfs/dbraw/zinc/60/11/33/520601133.db2.gz HBICVMPCZMERBY-VXKWHMMOSA-N 0 0 434.540 4.018 40 10 IICBRN COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(SC)SC4=NC3=O)c2C)cc1 ZINC000033396080 523312021 /nfs/dbraw/zinc/31/20/21/523312021.db2.gz 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429.586 4.176 40 10 IICBRN CC(NCCSCc1[nH]cnc1C)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000112294302 557239696 /nfs/dbraw/zinc/23/96/96/557239696.db2.gz KIHIZGBIOGSSQE-XLNRJJMWSA-N 0 0 449.555 4.405 40 10 IICBRN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000100931035 557278951 /nfs/dbraw/zinc/27/89/51/557278951.db2.gz MZNNTWODNNLXLW-CPNJWEJPSA-N 0 0 446.960 4.135 40 10 IICBRN CC(NCCSCc1[nH]cnc1C)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000102661102 557304874 /nfs/dbraw/zinc/30/48/74/557304874.db2.gz IGZPPYRJOGIPII-RELWKKBWSA-N 0 0 431.565 4.266 40 10 IICBRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C ZINC000222809885 557389216 /nfs/dbraw/zinc/38/92/16/557389216.db2.gz LEDGJEGNZVBURQ-YADHBBJMSA-N 0 0 434.565 4.268 40 10 IICBRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C ZINC000222810011 557389300 /nfs/dbraw/zinc/38/93/00/557389300.db2.gz LEDGJEGNZVBURQ-FGZHOGPDSA-N 0 0 434.565 4.268 40 10 IICBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000223061994 557424005 /nfs/dbraw/zinc/42/40/05/557424005.db2.gz IBRBCHRHVDQXPP-XZOQPEGZSA-N 0 0 435.597 4.202 40 10 IICBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000223061877 557424039 /nfs/dbraw/zinc/42/40/39/557424039.db2.gz IBRBCHRHVDQXPP-GOTSBHOMSA-N 0 0 435.597 4.202 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1Br ZINC000014414533 557445651 /nfs/dbraw/zinc/44/56/51/557445651.db2.gz KSBUCTQLMKLAMO-ATVHPVEESA-N 0 0 428.282 4.335 40 10 IICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(C)cn1 ZINC000223315962 557458516 /nfs/dbraw/zinc/45/85/16/557458516.db2.gz AKZBQRUGYJKXHY-IEXUWNMDSA-N 0 0 447.608 4.344 40 10 IICBRN C[C@@H](C(=O)N1CCCC[C@H]1c1cccnc1)N1C(=O)/C(=C\c2ccco2)SC1=S ZINC000062825000 557467597 /nfs/dbraw/zinc/46/75/97/557467597.db2.gz JOYYRXNCKHUNDT-ZYFLZRNESA-N 0 0 427.551 4.018 40 10 IICBRN CCN(CC)c1ccc([C@@H]2C(C(=O)OCCOC)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000017098978 557482040 /nfs/dbraw/zinc/48/20/40/557482040.db2.gz MLWYDMDVJRQBOQ-HSZRJFAPSA-N 0 0 434.540 4.361 40 10 IICBRN CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1 ZINC000223571971 557487400 /nfs/dbraw/zinc/48/74/00/557487400.db2.gz VTLTVLAIBBGMFK-UHFFFAOYSA-N 0 0 449.642 4.328 40 10 IICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(Cl)c1 ZINC000223616959 557492503 /nfs/dbraw/zinc/49/25/03/557492503.db2.gz PVCFKFHMSQZVGH-FCHUYYIVSA-N 0 0 441.000 4.497 40 10 IICBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C ZINC000223720896 557506075 /nfs/dbraw/zinc/50/60/75/557506075.db2.gz JPTAZNQOGQBOSS-DNQXCXABSA-N 0 0 448.592 4.415 40 10 IICBRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000223940592 557531559 /nfs/dbraw/zinc/53/15/59/557531559.db2.gz JOFCVVVUXRAGGD-UHFFFAOYSA-N 0 0 449.576 4.326 40 10 IICBRN C[C@@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(N2CCCCC2)cc1 ZINC000224383323 557599666 /nfs/dbraw/zinc/59/96/66/557599666.db2.gz ICXIOWMIMAFQSF-LJQANCHMSA-N 0 0 441.597 4.098 40 10 IICBRN CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COCC(C)C ZINC000224741154 557646508 /nfs/dbraw/zinc/64/65/08/557646508.db2.gz AAHYROAVUBTYGV-UHFFFAOYSA-N 0 0 426.557 4.229 40 10 IICBRN COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1C ZINC000224892454 557663697 /nfs/dbraw/zinc/66/36/97/557663697.db2.gz HVWYXIWPHLWETJ-SFHVURJKSA-N 0 0 430.570 4.057 40 10 IICBRN COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)ccc1Cl ZINC000225127772 557690357 /nfs/dbraw/zinc/69/03/57/557690357.db2.gz XFYRCMGAUALJJU-HNNXBMFYSA-N 0 0 436.961 4.156 40 10 IICBRN CCn1c2ccc(S(=O)(=O)N[C@H](C)c3ccc(N4CCCCC4)cc3)cc2sc1=O ZINC000225697180 557765759 /nfs/dbraw/zinc/76/57/59/557765759.db2.gz STWVOFFNASEFAD-MRXNPFEDSA-N 0 0 445.610 4.113 40 10 IICBRN CCOC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1Cl ZINC000225839216 557783797 /nfs/dbraw/zinc/78/37/97/557783797.db2.gz OHENWKHDTRRWNC-HNNXBMFYSA-N 0 0 447.988 4.401 40 10 IICBRN C[C@H](NC(=S)Nc1ccc(Br)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000225838807 557783825 /nfs/dbraw/zinc/78/38/25/557783825.db2.gz DLAUBQPOZQIEJZ-ZDUSSCGKSA-N 0 0 438.366 4.472 40 10 IICBRN COc1ccc(-n2c(C)cc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1 ZINC000059138751 557816296 /nfs/dbraw/zinc/81/62/96/557816296.db2.gz ACBKTMJHLFFZLM-PXLXIMEGSA-N 0 0 429.476 4.111 40 10 IICBRN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000059139240 557816694 /nfs/dbraw/zinc/81/66/94/557816694.db2.gz GLVPFRQYSKBWBP-UHFFFAOYSA-N 0 0 429.545 4.360 40 10 IICBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)cc21 ZINC000260925518 568629972 /nfs/dbraw/zinc/62/99/72/568629972.db2.gz UYGMVXZOQAFYJN-RTWAWAEBSA-N 0 0 443.016 4.332 40 10 IICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccccc1O ZINC000260918218 568630281 /nfs/dbraw/zinc/63/02/81/568630281.db2.gz LJMSHESNMDDLKS-DQMJNTIXSA-N 0 0 448.592 4.346 40 10 IICBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1ccccc1OC ZINC000026676017 568906189 /nfs/dbraw/zinc/90/61/89/568906189.db2.gz QVEGERFJWYKGCL-ZHZULCJRSA-N 0 0 445.562 4.383 40 10 IICBRN Cc1ccc(COc2cc(N(C)C)ccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000033741757 569259757 /nfs/dbraw/zinc/25/97/57/569259757.db2.gz VLHGYFWTXMIEEQ-HAHDFKILSA-N 0 0 427.504 4.101 40 10 IICBRN N=C1/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)C(=O)N=C2SC=NN21 ZINC000041076651 569526504 /nfs/dbraw/zinc/52/65/04/569526504.db2.gz BDGZPLSSLMTESI-AAPSMPFESA-N 0 0 445.287 4.462 40 10 IICBRN CCCCN1c2nc3ccccc3n2[C@H](c2ccc(N(C)C)cc2)[C@H](C(=O)OCC)C1=O ZINC000020638378 520600423 /nfs/dbraw/zinc/60/04/23/520600423.db2.gz HBICVMPCZMERBY-FCHUYYIVSA-N 0 0 434.540 4.018 40 10 IICBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000041078366 520627360 /nfs/dbraw/zinc/62/73/60/520627360.db2.gz QVWFWGUEWLLGRZ-YMAFSPHPSA-N 0 0 448.435 4.023 40 10 IICBRN CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(SC)SC3=NC2=O)c1C ZINC000041083562 521443110 /nfs/dbraw/zinc/44/31/10/521443110.db2.gz PJSTYWQYGZMXKC-AXPJIBDUSA-N 0 0 439.566 4.433 40 10 IICBRN CCc1cc(C)cc(OCCOc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2)c1 ZINC000041078455 523786411 /nfs/dbraw/zinc/78/64/11/523786411.db2.gz JZYNYYLOVMPVNF-MUJYFGONSA-N 0 0 431.492 4.466 40 10 IICBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1[N+](=O)[O-] ZINC000012642980 525084918 /nfs/dbraw/zinc/08/49/18/525084918.db2.gz LIYNSJXJBDIYOE-UHFFFAOYSA-N 0 0 437.437 4.339 40 10 IICBRN Cc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)n1-c1cc(C)ccc1C ZINC000041085153 526084750 /nfs/dbraw/zinc/08/47/50/526084750.db2.gz RBDUYYSMYXCPBK-QGUUBAPPSA-N 0 0 446.580 4.383 40 10 IICBRN COc1ccc(N2CCN(C(=O)c3sc4nc5ccc(OC)cc5cc4c3N)CC2)cc1 ZINC000013503431 536691262 /nfs/dbraw/zinc/69/12/62/536691262.db2.gz NOWNQSKTHBKHQW-UHFFFAOYSA-N 0 0 448.548 4.011 40 10 IICBRN CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)N(c2ccc(C)cc2C)N=C1C ZINC000408529017 555722646 /nfs/dbraw/zinc/72/26/46/555722646.db2.gz GTJXKEVLUUKUHM-LGMDPLHJSA-N 0 0 432.528 4.450 40 10 IICBRN CC1=NN(c2cccc3ccccc32)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N(C)C ZINC000408534854 555755239 /nfs/dbraw/zinc/75/52/39/555755239.db2.gz RMLCURIVEFCSLB-LGMDPLHJSA-N 0 0 426.480 4.206 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC ZINC000408585793 555936596 /nfs/dbraw/zinc/93/65/96/555936596.db2.gz ITDXVQOHWOXLEO-ATVHPVEESA-N 0 0 443.883 4.243 40 10 IICBRN CCOc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2ccccc2OC)SC1=S ZINC000008819293 556219012 /nfs/dbraw/zinc/21/90/12/556219012.db2.gz MIKKZADLUDSSGT-RGEXLXHISA-N 0 0 442.562 4.324 40 10 IICBRN COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1OC ZINC000008819365 556219201 /nfs/dbraw/zinc/21/92/01/556219201.db2.gz JYWBIDYVSXABKL-ODLFYWEKSA-N 0 0 442.562 4.161 40 10 IICBRN O=C(CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(F)cc1 ZINC000008820688 556221019 /nfs/dbraw/zinc/22/10/19/556221019.db2.gz LFIBVJVUFJRAJB-WOJGMQOQSA-N 0 0 444.509 4.175 40 10 IICBRN COc1ccc(CCN2C(=O)/C(=C\c3nc4ccccc4n3C)SC2=S)cc1OC ZINC000008869977 556228779 /nfs/dbraw/zinc/22/87/79/556228779.db2.gz FCMQYSMYBZSXCY-CPNJWEJPSA-N 0 0 439.562 4.034 40 10 IICBRN Cc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)s1 ZINC000008911469 556231661 /nfs/dbraw/zinc/23/16/61/556231661.db2.gz CTSGUZGUIVZGOF-UKTHLTGXSA-N 0 0 438.987 4.120 40 10 IICBRN COc1cc2c(cc1NCc1nnc3n1c1ccccc1c(=O)n3C)oc1ccccc12 ZINC000011619485 556342643 /nfs/dbraw/zinc/34/26/43/556342643.db2.gz UMNWILUUMAQNOD-UHFFFAOYSA-N 0 0 425.448 4.101 40 10 IICBRN Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000012032336 556388952 /nfs/dbraw/zinc/38/89/52/556388952.db2.gz PJNFNFARMQAOLX-XDHOZWIPSA-N 0 0 440.546 4.344 40 10 IICBRN O=C1C(=C/C=C/c2ccc([N+](=O)[O-])o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000016488470 556612092 /nfs/dbraw/zinc/61/20/92/556612092.db2.gz JGPQYIZGGANBQE-KPKJPENVSA-N 0 0 445.456 4.492 40 10 IICBRN COc1ccc(C2=N/C(=C/c3ccc(OC)cc3OC)C(=O)N2c2ccc(O)cc2)cc1 ZINC000408759066 556681516 /nfs/dbraw/zinc/68/15/16/556681516.db2.gz XFFCTPCERHXNDS-HYARGMPZSA-N 0 0 430.460 4.253 40 10 IICBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000408884137 556877777 /nfs/dbraw/zinc/87/77/77/556877777.db2.gz WYIHJQREXMBLEP-HMAPJEAMSA-N 0 0 448.519 4.094 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000408891856 556881447 /nfs/dbraw/zinc/88/14/47/556881447.db2.gz CYHYZKANSHVOOH-UYRXBGFRSA-N 0 0 441.325 4.392 40 10 IICBRN CCN(CC)c1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000408929962 556894159 /nfs/dbraw/zinc/89/41/59/556894159.db2.gz QCQQSNPJBGINMM-CPNJWEJPSA-N 0 0 428.330 4.388 40 10 IICBRN Cc1cc(-c2nc3cnccn3c2NC[C@H]2CCCO2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000072341990 556914279 /nfs/dbraw/zinc/91/42/79/556914279.db2.gz ATMHBWFZUGMNHS-GOSISDBHSA-N 0 0 431.496 4.123 40 10 IICBRN CCN1C(=O)/C(=C\C=C\c2ccc(OC)cc2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409012670 556918747 /nfs/dbraw/zinc/91/87/47/556918747.db2.gz LAOFVVPPNIHHSQ-QZRSKMOPSA-N 0 0 426.925 4.468 40 10 IICBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O ZINC000409017981 556919582 /nfs/dbraw/zinc/91/95/82/556919582.db2.gz GVHSIUPDFUMFRB-UZUMKDMXSA-N 0 0 428.510 4.091 40 10 IICBRN CCCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2Cl)C(=O)N(c2ccccc2)C1=S ZINC000409018350 556919818 /nfs/dbraw/zinc/91/98/18/556919818.db2.gz UOJUPMPKFAEIQB-LFIBNONCSA-N 0 0 444.940 4.311 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1c(F)cccc1Cl ZINC000409061430 556939047 /nfs/dbraw/zinc/93/90/47/556939047.db2.gz XBJBLVVAKZHMFB-PTNGSMBKSA-N 0 0 431.847 4.374 40 10 IICBRN COc1cc2c(cc1C=C1C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C1=O)OCO2 ZINC000409066295 556941881 /nfs/dbraw/zinc/94/18/81/556941881.db2.gz BMYRSZQZYYNFHW-UHFFFAOYSA-N 0 0 442.427 4.007 40 10 IICBRN O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O)Nc1ccc(F)cc1 ZINC000409068508 556942814 /nfs/dbraw/zinc/94/28/14/556942814.db2.gz RSOUNLSDYYOAHL-UNOMPAQXSA-N 0 0 443.475 4.240 40 10 IICBRN CCOc1cc(C[C@@H]2SC(=S)N(CCOC)C2=O)ccc1OCc1ccccc1 ZINC000409149553 556974365 /nfs/dbraw/zinc/97/43/65/556974365.db2.gz JRLVRTMSFDFQBQ-FQEVSTJZSA-N 0 0 431.579 4.082 40 10 IICBRN CCOc1ccc(C[C@@H]2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(OCC)c1 ZINC000409149730 556974558 /nfs/dbraw/zinc/97/45/58/556974558.db2.gz OTRODYWQZZLSTA-FQEVSTJZSA-N 0 0 431.579 4.464 40 10 IICBRN Cn1c(=O)n(C)c2cc(/C=C3/SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)ccc21 ZINC000409177110 556986386 /nfs/dbraw/zinc/98/63/86/556986386.db2.gz ATTLCVCKHKDLMA-LZYBPNLTSA-N 0 0 433.917 4.075 40 10 IICBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c1C ZINC000409221076 557016514 /nfs/dbraw/zinc/01/65/14/557016514.db2.gz KOLOJWGAEVMTRY-UDWIEESQSA-N 0 0 446.463 4.104 40 10 IICBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2C)C1=O ZINC000409236209 557018297 /nfs/dbraw/zinc/01/82/97/557018297.db2.gz RZDDEGQIYHTIFZ-XQNSMLJCSA-N 0 0 446.551 4.079 40 10 IICBRN COC(=O)c1ccccc1-n1c(C)cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c1C ZINC000409245061 557027122 /nfs/dbraw/zinc/02/71/22/557027122.db2.gz MWCKWBDUNXGNTB-HYARGMPZSA-N 0 0 443.503 4.282 40 10 IICBRN Cn1c2ccc(/C=C3\SC(=S)N(c4cccc5ccccc54)C3=O)cc2n(C)c1=O ZINC000409332335 557065847 /nfs/dbraw/zinc/06/58/47/557065847.db2.gz QFCOQJVZOSIUMY-MOSHPQCFSA-N 0 0 431.542 4.436 40 10 IICBRN Cc1ccccc1N1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC1=S ZINC000409346940 557075159 /nfs/dbraw/zinc/07/51/59/557075159.db2.gz OVQGIDOPVPJVPX-UYRXBGFRSA-N 0 0 441.534 4.146 40 10 IICBRN CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N\N1CCN(c2ccccc2F)CC1 ZINC000100799750 557117776 /nfs/dbraw/zinc/11/77/76/557117776.db2.gz DFRQZNOBWGIVBH-QPLCGJKRSA-N 0 0 425.464 4.313 40 10 IICBRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1NS(C)(=O)=O ZINC000218597016 557209377 /nfs/dbraw/zinc/20/93/77/557209377.db2.gz HISCTDUFCBZFPD-SFHVURJKSA-N 0 0 429.586 4.094 40 10 IICBRN O=C(NN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000110422905 557210833 /nfs/dbraw/zinc/21/08/33/557210833.db2.gz 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SCFYJGSMZBGPRO-JKSUJKDBSA-N 0 0 437.995 4.403 40 10 IICBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(OC)c3)C2=O)c1 ZINC000008819151 556218747 /nfs/dbraw/zinc/21/87/47/556218747.db2.gz IUYKFUNWDQZTDU-UYRXBGFRSA-N 0 0 442.562 4.324 40 10 IICBRN CC(C)(C)NC(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000008820045 556219827 /nfs/dbraw/zinc/21/98/27/556219827.db2.gz AZYJXKKRGNYKJN-ATVHPVEESA-N 0 0 434.583 4.092 40 10 IICBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCCC3)C2=O)cc1OC ZINC000008819946 556219835 /nfs/dbraw/zinc/21/98/35/556219835.db2.gz VRSQDDVTOHMEMU-CYVLTUHYSA-N 0 0 448.610 4.088 40 10 IICBRN COc1ccc(CCN2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1OC ZINC000008821718 556223604 /nfs/dbraw/zinc/22/36/04/556223604.db2.gz BRHXZBQOQYCLKA-ZHZULCJRSA-N 0 0 428.579 4.214 40 10 IICBRN Cn1c(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc2ccccc21 ZINC000008821932 556223848 /nfs/dbraw/zinc/22/38/48/556223848.db2.gz IIUZFFBGUBSEOY-GZTJUZNOSA-N 0 0 427.938 4.378 40 10 IICBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2)S1 ZINC000032111751 556530578 /nfs/dbraw/zinc/53/05/78/556530578.db2.gz OCARPJBRKXSVJT-LICLKQGHSA-N 0 0 431.311 4.135 40 10 IICBRN CCc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000101025073 556644067 /nfs/dbraw/zinc/64/40/67/556644067.db2.gz KRWAHTYTUHKDKY-SDHSZQHLSA-N 0 0 441.531 4.366 40 10 IICBRN COc1ccc(N2CCN(C(=O)c3sc4nc5ccc(C)cc5cc4c3N)CC2)cc1 ZINC000001342736 556779387 /nfs/dbraw/zinc/77/93/87/556779387.db2.gz OBNKKGGQAIBDAH-UHFFFAOYSA-N 0 0 432.549 4.311 40 10 IICBRN Cc1ccc(Cl)c2c1N[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@H]1CC=C[C@@H]21 ZINC000004172165 556820464 /nfs/dbraw/zinc/82/04/64/556820464.db2.gz SUCJNZHZRLXGME-MSYCTHLASA-N 0 0 444.984 4.496 40 10 IICBRN O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408890955 556879180 /nfs/dbraw/zinc/87/91/80/556879180.db2.gz IYLFRMMIYLZCIW-UHFFFAOYSA-N 0 0 441.723 4.140 40 10 IICBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)OC ZINC000408903317 556885809 /nfs/dbraw/zinc/88/58/09/556885809.db2.gz XFCKFGHJTLCUOM-LDADJPATSA-N 0 0 429.519 4.043 40 10 IICBRN COc1cc(I)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1OC ZINC000408903557 556886141 /nfs/dbraw/zinc/88/61/41/556886141.db2.gz ZSCANDFMFBVBCB-MHWRWJLKSA-N 0 0 448.260 4.115 40 10 IICBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O ZINC000408960243 556900319 /nfs/dbraw/zinc/90/03/19/556900319.db2.gz KBZVZPGAHQIEAH-MOSHPQCFSA-N 0 0 439.512 4.409 40 10 IICBRN CCOc1ccc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)c2ccccc12 ZINC000409012535 556918606 /nfs/dbraw/zinc/91/86/06/556918606.db2.gz KDFBYUFCKCALKW-XLNRJJMWSA-N 0 0 444.487 4.264 40 10 IICBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1N(C)C ZINC000409040989 556929280 /nfs/dbraw/zinc/92/92/80/556929280.db2.gz ZMFLWJQQEVCQJK-YRNVUSSQSA-N 0 0 440.328 4.162 40 10 IICBRN CCOC(=O)COc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000409051863 556933349 /nfs/dbraw/zinc/93/33/49/556933349.db2.gz HAGLJQXOVDXZNE-UNOMPAQXSA-N 0 0 427.547 4.338 40 10 IICBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O ZINC000409088356 556951118 /nfs/dbraw/zinc/95/11/18/556951118.db2.gz LGOWWLDATPBZLM-VQGSWFTOSA-N 0 0 436.892 4.484 40 10 IICBRN CCCOC(=O)CN1C(=O)/C(=C\c2cc(Br)ccc2OCC)SC1=S ZINC000020010463 556960419 /nfs/dbraw/zinc/96/04/19/556960419.db2.gz APPJPDZZBHKCJV-NTEUORMPSA-N 0 0 444.372 4.002 40 10 IICBRN CCN(CC)C(=O)Cn1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c2ccccc21 ZINC000409131240 556963086 /nfs/dbraw/zinc/96/30/86/556963086.db2.gz MPXUPUAHLHCFGM-ODLFYWEKSA-N 0 0 429.611 4.367 40 10 IICBRN CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(=O)NC3CCCCC3)c21 ZINC000409133961 556968376 /nfs/dbraw/zinc/96/83/76/556968376.db2.gz VDANWPNAKAIPHB-UNOMPAQXSA-N 0 0 441.622 4.484 40 10 IICBRN COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c1 ZINC000409143397 556975482 /nfs/dbraw/zinc/97/54/82/556975482.db2.gz DZBUSHQLCBCIGN-LICLKQGHSA-N 0 0 448.953 4.212 40 10 IICBRN COc1ccc(CN2C(=O)[C@@H](Cc3cc(OC)c(OC)cc3Cl)SC2=S)cc1 ZINC000409143418 556975490 /nfs/dbraw/zinc/97/54/90/556975490.db2.gz FBSCYPLAPXYZRP-GOSISDBHSA-N 0 0 437.970 4.337 40 10 IICBRN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)c1 ZINC000409236492 557018607 /nfs/dbraw/zinc/01/86/07/557018607.db2.gz SGVPMRNCMRJMGB-LPYMAVHISA-N 0 0 443.503 4.282 40 10 IICBRN COC(=O)c1ccccc1-n1c(C)cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c1C ZINC000409242223 557032407 /nfs/dbraw/zinc/03/24/07/557032407.db2.gz VTABEGOKJQVAAL-HYARGMPZSA-N 0 0 443.503 4.282 40 10 IICBRN COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000409329094 557063443 /nfs/dbraw/zinc/06/34/43/557063443.db2.gz COBCVCKSFCNFKV-MFOYZWKCSA-N 0 0 449.937 4.306 40 10 IICBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000409344732 557071839 /nfs/dbraw/zinc/07/18/39/557071839.db2.gz IDXSLSZEDPMOBU-CPNJWEJPSA-N 0 0 441.534 4.146 40 10 IICBRN COc1ccc(N2CCN(C(=O)c3ccc(CN4CCc5ccccc54)cc3)CC2)cc1 ZINC000216422405 557146119 /nfs/dbraw/zinc/14/61/19/557146119.db2.gz QHNHIMXGECHMRI-UHFFFAOYSA-N 0 0 427.548 4.220 40 10 IICBRN Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1NS(C)(=O)=O ZINC000218587991 557209038 /nfs/dbraw/zinc/20/90/38/557209038.db2.gz OVFRATNFRMPIQV-SJLPKXTDSA-N 0 0 429.586 4.094 40 10 IICBRN O=C(NN1C(=O)/C(=C\c2ccc(O)c(Cl)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000110422728 557210557 /nfs/dbraw/zinc/21/05/57/557210557.db2.gz YULVAAILGGPQRM-REZTVBANSA-N 0 0 448.997 4.494 40 10 IICBRN C[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000219138348 557227597 /nfs/dbraw/zinc/22/75/97/557227597.db2.gz NPWVAGLJRNZOMF-LJQANCHMSA-N 0 0 433.552 4.177 40 10 IICBRN COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(Cl)cc1C ZINC000112290003 557238937 /nfs/dbraw/zinc/23/89/37/557238937.db2.gz FYPKFPIDTZHGIL-STZFKDTASA-N 0 0 427.888 4.309 40 10 IICBRN O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)c1ccc(N2CCCC2=O)cc1 ZINC000013566441 557344465 /nfs/dbraw/zinc/34/44/65/557344465.db2.gz BIIKWMMVVXGYLV-UHFFFAOYSA-N 0 0 446.488 4.493 40 10 IICBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000223054929 557422334 /nfs/dbraw/zinc/42/23/34/557422334.db2.gz RXTFZIRPGTZPCY-GOTSBHOMSA-N 0 0 436.581 4.204 40 10 IICBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 ZINC000223327641 557459504 /nfs/dbraw/zinc/45/95/04/557459504.db2.gz PJWQKIBCFCJRNW-TUACAJSNSA-N 0 0 448.592 4.341 40 10 IICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(Cl)c1 ZINC000223576880 557487911 /nfs/dbraw/zinc/48/79/11/557487911.db2.gz PFNPLJPMDYPBCJ-RTWAWAEBSA-N 0 0 426.973 4.107 40 10 IICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1c(C)cc(C)cc1C ZINC000223581983 557488658 /nfs/dbraw/zinc/48/86/58/557488658.db2.gz QZPZOBKHBQTBKN-VWNXMTODSA-N 0 0 434.609 4.379 40 10 IICBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 ZINC000223742236 557507848 /nfs/dbraw/zinc/50/78/48/557507848.db2.gz WKHKCXLETIJYSG-DHIUTWEWSA-N 0 0 434.565 4.106 40 10 IICBRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000225678386 557761843 /nfs/dbraw/zinc/76/18/43/557761843.db2.gz NKZYYPINQNARFF-ULJHMMPZSA-N 0 0 429.520 4.276 40 10 IICBRN CCOC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1Cl ZINC000225839233 557783770 /nfs/dbraw/zinc/78/37/70/557783770.db2.gz OHENWKHDTRRWNC-OAHLLOKOSA-N 0 0 447.988 4.401 40 10 IICBRN Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1N1CCCC1=O ZINC000225839534 557783982 /nfs/dbraw/zinc/78/39/82/557783982.db2.gz BPEKDZYKXRSZSD-SFHVURJKSA-N 0 0 438.597 4.006 40 10 IICBRN CN1C(=O)C(=Cc2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)N(C)C1=S ZINC000059139736 557816943 /nfs/dbraw/zinc/81/69/43/557816943.db2.gz VSHAQMCJUJZDIK-UHFFFAOYSA-N 0 0 439.540 4.442 40 10 IICBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000059435782 557820900 /nfs/dbraw/zinc/82/09/00/557820900.db2.gz DRQRPUBBWZUCLZ-UNOMPAQXSA-N 0 0 442.309 4.331 40 10 IICBRN CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)ccc1N1CCOCC1 ZINC000260755834 557852953 /nfs/dbraw/zinc/85/29/53/557852953.db2.gz BVMRVIINSYDKQB-CDNPAEQRSA-N 0 0 438.597 4.296 40 10 IICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccc(C)cn1 ZINC000260909883 568628999 /nfs/dbraw/zinc/62/89/99/568628999.db2.gz AKZBQRUGYJKXHY-CTUHWIOQSA-N 0 0 447.608 4.344 40 10 IICBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000026593349 568888189 /nfs/dbraw/zinc/88/81/89/568888189.db2.gz JPRWREQIVYNBBZ-YVLHZVERSA-N 0 0 444.490 4.044 40 10 IICBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000016712724 568893845 /nfs/dbraw/zinc/89/38/45/568893845.db2.gz WSGKQVVMELCKIC-UJUKKVGJSA-N 0 0 439.518 4.381 40 10 IICBRN CCOC(=O)COc1ccccc1/C=C1\SC(N(C)c2ccc(Cl)cc2)=NC1=O ZINC000015016292 520806851 /nfs/dbraw/zinc/80/68/51/520806851.db2.gz GIEBYSCSWKTSCI-PDGQHHTCSA-N 0 0 430.913 4.389 40 10 IICBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(Br)c3)C(=N)N2O1 ZINC000041078328 520853313 /nfs/dbraw/zinc/85/33/13/520853313.db2.gz QPPQGVVRQHYRIS-RCOXNWNUSA-N 0 0 438.281 4.478 40 10 IICBRN COc1ccc(OCCn2cc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)c3ccccc32)cc1 ZINC000041078270 524966681 /nfs/dbraw/zinc/96/66/81/524966681.db2.gz YEMARCRLLMFTOX-MALGGUPZSA-N 0 0 442.475 4.179 40 10 IICBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 ZINC000012493792 525569140 /nfs/dbraw/zinc/56/91/40/525569140.db2.gz QIJWDBJZQRDXIA-UHFFFAOYSA-N 0 0 437.437 4.339 40 10 IICBRN COc1cccc(OCCn2cc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)c3ccccc32)c1 ZINC000041078269 526234217 /nfs/dbraw/zinc/23/42/17/526234217.db2.gz UFADHPBXNGWCRY-TVWUMHKZSA-N 0 0 442.475 4.179 40 10 IICBRN CCOc1cccc(/C=C2\C(=O)N(c3ccc(OC)c(Cl)c3)C(C)=C2C(=O)OC)c1O ZINC000408586643 555939153 /nfs/dbraw/zinc/93/91/53/555939153.db2.gz OKDZWLWYOJROOF-WJDWOHSUSA-N 0 0 443.883 4.330 40 10 IICBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000408589240 555944836 /nfs/dbraw/zinc/94/48/36/555944836.db2.gz ZJEKDVIBNGDQCH-UVTDQMKNSA-N 0 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Cc1cc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1N1CCCC1=O ZINC000225839511 557783959 /nfs/dbraw/zinc/78/39/59/557783959.db2.gz HHQRNBVWCWQQCW-GOSISDBHSA-N 0 0 438.597 4.006 40 10 IICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccc(O)cc1 ZINC000260922567 568629705 /nfs/dbraw/zinc/62/97/05/568629705.db2.gz PXIPAMRCSLBGCL-FGCOXFRFSA-N 0 0 448.592 4.346 40 10 IICBRN COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)SC1=S ZINC000001276999 568775765 /nfs/dbraw/zinc/77/57/65/568775765.db2.gz ORPCSXKGDSGQEN-VCRXTVNUSA-N 0 0 443.546 4.037 40 10 IICBRN CC(=C/c1ccccc1)/C=C1\SC(=S)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000001452153 568818884 /nfs/dbraw/zinc/81/88/84/568818884.db2.gz IHPZFENKKAZOAP-RQGFIEOQSA-N 0 0 425.491 4.087 40 10 IICBRN N=C1/C(=C/c2ccc3c(c2)OCO3)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN21 ZINC000033457578 526837665 /nfs/dbraw/zinc/83/76/65/526837665.db2.gz HYENIRSLCSHJEO-XXKNURTGSA-N 0 0 434.521 4.251 40 10 IICBRN O=C1/C(=C/c2cc(Br)ccc2O)SC(=S)N1c1ccccc1[N+](=O)[O-] ZINC000020495241 526938625 /nfs/dbraw/zinc/93/86/25/526938625.db2.gz AYIURXKZWSHCEQ-ZSOIEALJSA-N 0 0 437.296 4.469 40 10 IICBRN O=C(C(=O)c1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1)c1ccccc1 ZINC000022065582 527667132 /nfs/dbraw/zinc/66/71/32/527667132.db2.gz TUKMJZRJDWDVNZ-UHFFFAOYSA-N 0 0 439.515 4.232 40 10 in-vitro IICBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N2CCCc3ccccc32)C1=O ZINC000008819323 536982024 /nfs/dbraw/zinc/98/20/24/536982024.db2.gz AQJQOIXRUSVLAZ-HKWRFOASSA-N 0 0 438.574 4.266 40 10 IICBRN CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNc1ccc2[nH]c(=O)[nH]c2c1 ZINC000408532877 555745262 /nfs/dbraw/zinc/74/52/62/555745262.db2.gz RKLQDRCWZCSVFV-ZROIWOOFSA-N 0 0 426.274 4.058 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000408584394 555936879 /nfs/dbraw/zinc/93/68/79/555936879.db2.gz PGUMMEWVUWAFEQ-BOPFTXTBSA-N 0 0 443.253 4.235 40 10 IICBRN CCCOC(=O)c1ccc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1 ZINC000408647627 556023060 /nfs/dbraw/zinc/02/30/60/556023060.db2.gz SXDRITMJIXOZCJ-UHFFFAOYSA-N 0 0 434.492 4.456 40 10 IICBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(F)cc3)C2=O)c1 ZINC000008819165 556218925 /nfs/dbraw/zinc/21/89/25/556218925.db2.gz VDIPGOHOKSIJKA-AQTBWJFISA-N 0 0 430.526 4.454 40 10 IICBRN COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1OC ZINC000008819373 556219315 /nfs/dbraw/zinc/21/93/15/556219315.db2.gz UEFQSOHVYASKOY-MFOYZWKCSA-N 0 0 448.953 4.197 40 10 IICBRN CCCCNC(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000008820044 556219764 /nfs/dbraw/zinc/21/97/64/556219764.db2.gz CBQICBBZIREZBU-AQTBWJFISA-N 0 0 434.583 4.093 40 10 IICBRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000028336391 556452717 /nfs/dbraw/zinc/45/27/17/556452717.db2.gz FILXRLJKKVWGNA-UHFFFAOYSA-N 0 0 449.576 4.042 40 10 IICBRN CC(=O)NC1=NC(=O)/C(=C\c2cccc(OCc3ccc(Br)cc3)c2)S1 ZINC000032111819 556530633 /nfs/dbraw/zinc/53/06/33/556530633.db2.gz RBHCQSARUOZTAA-LICLKQGHSA-N 0 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ZINC000035363522 556084815 /nfs/dbraw/zinc/08/48/15/556084815.db2.gz WVHXZZJLAMYQNE-UHFFFAOYSA-N 0 0 447.491 4.145 40 10 IICBRN Cc1cc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000408739250 556210072 /nfs/dbraw/zinc/21/00/72/556210072.db2.gz AJAUPFZPRXKMEE-WSDLNYQXSA-N 0 0 444.516 4.389 40 10 IICBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NC1CCCC1 ZINC000008820015 556219813 /nfs/dbraw/zinc/21/98/13/556219813.db2.gz OFIBGCWBYOMJHP-UYRXBGFRSA-N 0 0 446.594 4.236 40 10 IICBRN CC(=O)Nc1cc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)ccc1C ZINC000001346230 556779570 /nfs/dbraw/zinc/77/95/70/556779570.db2.gz VRABPMYUSSFRQP-UHFFFAOYSA-N 0 0 449.492 4.389 40 10 IICBRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1N(C)S(C)(=O)=O ZINC000260503976 556837111 /nfs/dbraw/zinc/83/71/11/556837111.db2.gz AWRIGEXSHKAUHL-HKUYNNGSSA-N 0 0 443.613 4.118 40 10 IICBRN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1O ZINC000408893907 556879971 /nfs/dbraw/zinc/87/99/71/556879971.db2.gz GURRRANQGGSQFQ-UHFFFAOYSA-N 0 0 428.444 4.374 40 10 IICBRN CCOc1cc(C=C2C(=O)NC(=S)N(C)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408912811 556886620 /nfs/dbraw/zinc/88/66/20/556886620.db2.gz SDAANMNIDBANNZ-DEDYPNTBSA-N 0 0 446.528 4.074 40 10 IICBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000408977223 556906889 /nfs/dbraw/zinc/90/68/89/556906889.db2.gz UYROUIRYKUJRLW-RGEXLXHISA-N 0 0 426.310 4.364 40 10 IICBRN CCN1C(=O)/C(=C\c2ccc(N3CCCCC3)o2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409013095 556918937 /nfs/dbraw/zinc/91/89/37/556918937.db2.gz SPTSCIGSMCNFIZ-NBVRZTHBSA-N 0 0 443.956 4.487 40 10 IICBRN Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000409016871 556921636 /nfs/dbraw/zinc/92/16/36/556921636.db2.gz AQNUCCVJRYIRCB-UCQKPKSFSA-N 0 0 442.519 4.242 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000409022261 556922860 /nfs/dbraw/zinc/92/28/60/556922860.db2.gz LKHLLIJQOKEYHG-YVLHZVERSA-N 0 0 443.883 4.243 40 10 IICBRN O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000409044649 556930092 /nfs/dbraw/zinc/93/00/92/556930092.db2.gz HDVRKGCAVCYBBG-UHFFFAOYSA-N 0 0 441.723 4.140 40 10 IICBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O ZINC000409064336 556940844 /nfs/dbraw/zinc/94/08/44/556940844.db2.gz GQKCUUAQCLGZGI-MOSHPQCFSA-N 0 0 439.512 4.409 40 10 IICBRN CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(=O)N3CCC(C)CC3)c21 ZINC000409128622 556966593 /nfs/dbraw/zinc/96/65/93/556966593.db2.gz SNCUKGCXZHICHV-UNOMPAQXSA-N 0 0 441.622 4.293 40 10 IICBRN CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(=O)N3CCCC[C@@H]3C)c21 ZINC000409135335 556969126 /nfs/dbraw/zinc/96/91/26/556969126.db2.gz UMEVUHDRFKAFRJ-CCRNYGKSSA-N 0 0 441.622 4.436 40 10 IICBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)c(Cl)c1 ZINC000409147456 556973414 /nfs/dbraw/zinc/97/34/14/556973414.db2.gz XXSWNAJQTMAKRE-GZTJUZNOSA-N 0 0 431.970 4.261 40 10 IICBRN CCOc1cc(C[C@@H]2SC(=S)N(CCOC)C2=O)ccc1OCc1cccc(F)c1 ZINC000409144620 556976235 /nfs/dbraw/zinc/97/62/35/556976235.db2.gz LKEDNIKQOUTJLN-FQEVSTJZSA-N 0 0 449.569 4.221 40 10 IICBRN CCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])SC1=S ZINC000409198859 556991621 /nfs/dbraw/zinc/99/16/21/556991621.db2.gz AALOVFRKXKIOQR-ZDLGFXPLSA-N 0 0 430.507 4.404 40 10 IICBRN Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000409210728 557005419 /nfs/dbraw/zinc/00/54/19/557005419.db2.gz KTZOSQAUZKGKOO-XKZIYDEJSA-N 0 0 446.482 4.073 40 10 IICBRN COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000409236029 557018246 /nfs/dbraw/zinc/01/82/46/557018246.db2.gz FBGPZIPYCNULQL-NDENLUEZSA-N 0 0 444.940 4.422 40 10 IICBRN CCN(CC)c1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1Br ZINC000409242925 557032899 /nfs/dbraw/zinc/03/28/99/557032899.db2.gz PUEMJQRHLSYOSA-QGOAFFKASA-N 0 0 428.330 4.388 40 10 IICBRN COc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409343469 557070944 /nfs/dbraw/zinc/07/09/44/557070944.db2.gz GXOGIQAXCYGMCQ-YBFXNURJSA-N 0 0 442.562 4.325 40 10 IICBRN NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O ZINC000409345048 557073137 /nfs/dbraw/zinc/07/31/37/557073137.db2.gz JXGHXTPLQZQGBQ-CHHVJCJISA-N 0 0 439.345 4.263 40 10 IICBRN COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OC(F)F ZINC000409356356 557084207 /nfs/dbraw/zinc/08/42/07/557084207.db2.gz MSEYMHWSLPCISK-APSNUPSMSA-N 0 0 437.445 4.431 40 10 IICBRN CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC ZINC000021270716 557140079 /nfs/dbraw/zinc/14/00/79/557140079.db2.gz XUSWJQWCQNOJQC-AQTBWJFISA-N 0 0 428.535 4.030 40 10 IICBRN Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000218579502 557208238 /nfs/dbraw/zinc/20/82/38/557208238.db2.gz OAIXIIBBWNODLC-GOSISDBHSA-N 0 0 429.586 4.094 40 10 IICBRN CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218641192 557212021 /nfs/dbraw/zinc/21/20/21/557212021.db2.gz WQXJBMLTOBLQCJ-GOSISDBHSA-N 0 0 429.586 4.176 40 10 IICBRN CCOC(=O)Cc1ccc(C(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1 ZINC000013568798 557347461 /nfs/dbraw/zinc/34/74/61/557347461.db2.gz KPIOUJOBWIMPDB-UHFFFAOYSA-N 0 0 449.488 4.472 40 10 IICBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C ZINC000222810485 557389268 /nfs/dbraw/zinc/38/92/68/557389268.db2.gz ATSDXJDIADKRQI-FCHUYYIVSA-N 0 0 434.565 4.268 40 10 IICBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C ZINC000223055397 557422639 /nfs/dbraw/zinc/42/26/39/557422639.db2.gz FQQCGNQWTDUBLE-DHIUTWEWSA-N 0 0 436.581 4.204 40 10 IICBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000223061930 557423997 /nfs/dbraw/zinc/42/39/97/557423997.db2.gz IBRBCHRHVDQXPP-PKTZIBPZSA-N 0 0 435.597 4.202 40 10 IICBRN O=C(COc1ccc(Cl)cc1C=C1SC(=S)NC1=O)Nc1ccc(Cl)cc1 ZINC000015056162 557457506 /nfs/dbraw/zinc/45/75/06/557457506.db2.gz AAJOBICDOIQZIC-NVNXTCNLSA-N 0 0 439.345 4.500 40 10 IICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccn1 ZINC000223452063 557473436 /nfs/dbraw/zinc/47/34/36/557473436.db2.gz CLDQOJUHCVSIMR-DNQXCXABSA-N 0 0 440.576 4.452 40 10 IICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccn1 ZINC000223487873 557478428 /nfs/dbraw/zinc/47/84/28/557478428.db2.gz QLODIKZTZNSTDB-BJKOFHAPSA-N 0 0 440.576 4.452 40 10 IICBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cc(Cl)ccc1C ZINC000223583051 557488900 /nfs/dbraw/zinc/48/89/00/557488900.db2.gz KJHFJXQQAJIQBK-VXKWHMMOSA-N 0 0 441.000 4.416 40 10 IICBRN C[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260577628 557493451 /nfs/dbraw/zinc/49/34/51/557493451.db2.gz GAPJOIUEBODHSU-OALUTQOASA-N 0 0 441.597 4.089 40 10 IICBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000223650539 557497349 /nfs/dbraw/zinc/49/73/49/557497349.db2.gz GDQJWDNVAULQBO-ZEQRLZLVSA-N 0 0 448.592 4.333 40 10 IICBRN Cc1cccc(N2CCN([C@@H](c3nnnn3C(C)(C)C)c3ccc(N(C)C)cc3)CC2)c1C ZINC000020139408 557515395 /nfs/dbraw/zinc/51/53/95/557515395.db2.gz COQSIURXWDMGHC-XMMPIXPASA-N 0 0 447.631 4.023 40 10 IICBRN CCn1c2ccc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCCCC4)cc3)cc2sc1=O ZINC000225697159 557765771 /nfs/dbraw/zinc/76/57/71/557765771.db2.gz STWVOFFNASEFAD-INIZCTEOSA-N 0 0 445.610 4.113 40 10 IICBRN Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1N1CCCC1=O ZINC000225839547 557783936 /nfs/dbraw/zinc/78/39/36/557783936.db2.gz BPEKDZYKXRSZSD-GOSISDBHSA-N 0 0 438.597 4.006 40 10 IICBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000058866009 557812278 /nfs/dbraw/zinc/81/22/78/557812278.db2.gz TYFAWTAZFASRLU-UHFFFAOYSA-N 0 0 440.364 4.049 40 10 IICBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccccc1OC ZINC000058884085 557814783 /nfs/dbraw/zinc/81/47/83/557814783.db2.gz AYEIATJMMLLNPG-BOPFTXTBSA-N 0 0 428.282 4.335 40 10 IICBRN Cc1c(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000059139717 557816969 /nfs/dbraw/zinc/81/69/69/557816969.db2.gz JMAXHPGBPMBJQN-UHFFFAOYSA-N 0 0 437.952 4.250 40 10 IICBRN Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000059182206 557817810 /nfs/dbraw/zinc/81/78/10/557817810.db2.gz BEJLZDUGQDHOQU-OQLLNIDSSA-N 0 0 432.343 4.262 40 10 IICBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000059435769 557820838 /nfs/dbraw/zinc/82/08/38/557820838.db2.gz KUOHDLYNYCRHRD-UYRXBGFRSA-N 0 0 441.911 4.273 40 10 IICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ncccc1C ZINC000260924278 568629977 /nfs/dbraw/zinc/62/99/77/568629977.db2.gz TVTGSJXVLPYDJG-UEVCKROQSA-N 0 0 447.608 4.344 40 10 IICBRN CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)C(=CNc2ccc(C)cc2)SC1=S ZINC000256055848 568663568 /nfs/dbraw/zinc/66/35/68/568663568.db2.gz WIKFFFHPYWBPPQ-OWBBTNHHSA-N 0 0 426.563 4.283 40 10 IICBRN O=c1c2ccccc2[nH]c2c1ccc1c2C(=O)c2ccc3c(=O)c4ccccc4[nH]c3c2C1=O ZINC000004552165 568791004 /nfs/dbraw/zinc/79/10/04/568791004.db2.gz KLCBMAACUWYFIZ-UHFFFAOYSA-N 0 0 442.430 4.451 40 10 IICBRN 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ZINC000256055847 568663674 /nfs/dbraw/zinc/66/36/74/568663674.db2.gz WIKFFFHPYWBPPQ-GXYBQNOFSA-N 0 0 426.563 4.283 40 10 IICBRN COc1ccc(N2CC[C@@H](O)[C@H]([C@H](Nc3ccc4c(c3)CCC4)C3CCOCC3)C2)cc1 ZINC000257303109 568712738 /nfs/dbraw/zinc/71/27/38/568712738.db2.gz SFUVIYWJCASFAH-ZONZVBGPSA-N 0 0 436.596 4.278 40 10 IICBRN Cc1ccc(C2=NN3C(=NC(=O)/C(=C/c4ccc(Br)cc4)C3=N)S2)cc1 ZINC000003853144 568754612 /nfs/dbraw/zinc/75/46/12/568754612.db2.gz MLMOHJZBLQOFJI-GDXBMZNVSA-N 0 0 425.311 4.425 40 10 IICBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1cccc(OC)c1 ZINC000026712347 568908536 /nfs/dbraw/zinc/90/85/36/568908536.db2.gz JCVHOZVJHOVZRV-MOSHPQCFSA-N 0 0 445.562 4.383 40 10 IICBRN COC(=O)c1[nH]c2ccc(F)cc2c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000054361159 568940911 /nfs/dbraw/zinc/94/09/11/568940911.db2.gz HIJVAZTUPPBCSN-YVLHZVERSA-N 0 0 426.494 4.495 40 10 IICBRN COc1ccc(CCN2C(=O)/C(=C/c3ccc4nccnc4c3)SC2=S)cc1OC ZINC000054361151 568940945 /nfs/dbraw/zinc/94/09/45/568940945.db2.gz WBNALYWBZQAZMO-MOSHPQCFSA-N 0 0 437.546 4.091 40 10 IICBRN CCN(CC)c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1Br ZINC000139417989 569261119 /nfs/dbraw/zinc/26/11/19/569261119.db2.gz HMCJUPSRYBIZMZ-PDGQHHTCSA-N 0 0 428.355 4.066 40 10 IICBRN N=C1/C(=C\c2cc(Br)ccc2O)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000027842470 569302765 /nfs/dbraw/zinc/30/27/65/569302765.db2.gz KEHVWXYTNWVLLX-FZKGXIISSA-N 0 0 433.331 4.354 40 10 IICBRN Cc1ccccc1N1C(=O)[C@@H]([C@H]2SC(=S)N(c3ccccc3C)C2=O)SC1=S ZINC000008828439 569477821 /nfs/dbraw/zinc/47/78/21/569477821.db2.gz LVLXOARAYDIRQC-HZPDHXFCSA-N 0 0 444.628 4.470 40 10 IICBRN CCSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(OC)c4)c3C)C2=N)S1 ZINC000034829064 521695457 /nfs/dbraw/zinc/69/54/57/521695457.db2.gz DTBZCKUJXNMTMD-GLNJVZSPSA-N 0 0 439.566 4.433 40 10 IICBRN COc1cccc(C(=O)Oc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2Cl)c1 ZINC000041078451 525840573 /nfs/dbraw/zinc/84/05/73/525840573.db2.gz WPHJPIWKQQGFNJ-UTXWOTMXSA-N 0 0 437.839 4.018 40 10 IICBRN 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/nfs/dbraw/zinc/21/92/83/556219283.db2.gz MBFIFDLSDFMVKX-YVLHZVERSA-N 0 0 448.953 4.197 40 10 IICBRN COc1ccc(N2C(=O)/C(=C\c3ccc(Br)o3)SC2=S)c(OC)c1 ZINC000008821556 556223067 /nfs/dbraw/zinc/22/30/67/556223067.db2.gz PZGICCLVMNSYNK-MDWZMJQESA-N 0 0 426.313 4.465 40 10 IICBRN O=C(NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S)c1ccc(OCc2ccccc2)cc1 ZINC000008869997 556228617 /nfs/dbraw/zinc/22/86/17/556228617.db2.gz OYFKGAYEDBRPQH-UYRXBGFRSA-N 0 0 435.530 4.140 40 10 IICBRN O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000011565515 556342016 /nfs/dbraw/zinc/34/20/16/556342016.db2.gz MLXUCCFFAJQAEH-NVNXTCNLSA-N 0 0 439.345 4.305 40 10 IICBRN CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OCc1cccc(Cl)c1 ZINC000032109981 556530320 /nfs/dbraw/zinc/53/03/20/556530320.db2.gz YFYGUQPHEGPDPG-YBFXNURJSA-N 0 0 430.913 4.424 40 10 IICBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4nc5ccccc5n4c3=O)c2C)cc1 ZINC000032186283 556537093 /nfs/dbraw/zinc/53/70/93/556537093.db2.gz KZXWUELOUYCKOH-HYARGMPZSA-N 0 0 443.528 4.041 40 10 IICBRN CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 ZINC000260452888 556719832 /nfs/dbraw/zinc/71/98/32/556719832.db2.gz AGUIBRMUGUHOAM-ZWKOTPCHSA-N 0 0 429.586 4.176 40 10 IICBRN Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@@H]2C1=O ZINC000013750458 556725950 /nfs/dbraw/zinc/72/59/50/556725950.db2.gz OBCHLMTVSZBEEC-FKBYEOEOSA-N 0 0 434.879 4.405 40 10 IICBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 ZINC000408769305 556847053 /nfs/dbraw/zinc/84/70/53/556847053.db2.gz MNXXDKDYYKXLRP-UNOMPAQXSA-N 0 0 436.464 4.488 40 10 IICBRN Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)cc3)C2=O)c1 ZINC000408885951 556878007 /nfs/dbraw/zinc/87/80/07/556878007.db2.gz HDMPSWTXTVNLKK-HYARGMPZSA-N 0 0 430.435 4.380 40 10 IICBRN NC(=O)C[C@@H](NC(=O)Oc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000408999722 556914124 /nfs/dbraw/zinc/91/41/24/556914124.db2.gz ROULXGJNMSDGHN-SQXAAPRXSA-N 0 0 431.452 4.073 40 10 IICBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C1=O ZINC000409074783 556943303 /nfs/dbraw/zinc/94/33/03/556943303.db2.gz RNCVAKVNJXKPNO-AGZSBTIMSA-N 0 0 448.928 4.354 40 10 IICBRN COC(=O)Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21 ZINC000409127894 556966306 /nfs/dbraw/zinc/96/63/06/556966306.db2.gz QXKIASPKYUAVJF-MOSHPQCFSA-N 0 0 436.558 4.258 40 10 IICBRN CCN1C(=O)/C(=C/c2cn(CC(=O)NCc3cccs3)c3ccccc23)SC1=S ZINC000409133099 556968237 /nfs/dbraw/zinc/96/82/37/556968237.db2.gz QPJIKKFJNWRXHQ-ZDLGFXPLSA-N 0 0 441.603 4.240 40 10 IICBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)ccc1N1CCCC1 ZINC000409209468 556996218 /nfs/dbraw/zinc/99/62/18/556996218.db2.gz BTWDMHKSNSWNLU-PNWWAVQQSA-N 0 0 427.570 4.033 40 10 IICBRN Cc1cc(/C=C2/C(=O)Nc3ccccc32)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409207385 556996732 /nfs/dbraw/zinc/99/67/32/556996732.db2.gz VWLWGSMBJOMGFK-KGENOOAVSA-N 0 0 444.491 4.332 40 10 IICBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)=O)c(OC)c3)SC2=S)cc1 ZINC000409328967 557063164 /nfs/dbraw/zinc/06/31/64/557063164.db2.gz BFBYMRKHGMMNDO-UNOMPAQXSA-N 0 0 429.519 4.425 40 10 IICBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)OC ZINC000409348464 557076523 /nfs/dbraw/zinc/07/65/23/557076523.db2.gz SUJWYKQHQACIAE-UNOMPAQXSA-N 0 0 443.546 4.351 40 10 IICBRN COc1ccc(N2CCOCC2)c(NC(=O)C(C)(C)Oc2ccc(Br)cc2)c1 ZINC000020528882 557080022 /nfs/dbraw/zinc/08/00/22/557080022.db2.gz AIQAIVOBATZOEF-UHFFFAOYSA-N 0 0 449.345 4.090 40 10 IICBRN Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000001168390 557119606 /nfs/dbraw/zinc/11/96/06/557119606.db2.gz SDXBQBUJDGVMFG-YBFXNURJSA-N 0 0 448.435 4.406 40 10 IICBRN Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1N(C)S(C)(=O)=O ZINC000260512328 557167445 /nfs/dbraw/zinc/16/74/45/557167445.db2.gz VYWPFJXGNADCHF-PKOBYXMFSA-N 0 0 443.613 4.118 40 10 IICBRN CC(NCc1ccc2c(c1)OCO2)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000112289095 557238551 /nfs/dbraw/zinc/23/85/51/557238551.db2.gz DBBREAIAJNSIAJ-KQWNVCNZSA-N 0 0 429.451 4.369 40 10 IICBRN COC(=O)c1[nH]c2ccc(F)cc2c1/C=C1\SC(=S)N(c2ccc(O)cc2)C1=O ZINC000102732142 557306464 /nfs/dbraw/zinc/30/64/64/557306464.db2.gz USVDPVHBQGESLF-SXGWCWSVSA-N 0 0 428.466 4.205 40 10 IICBRN Cc1ccc(Cl)c2c1N[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@@H]1CC=C[C@@H]21 ZINC000013425358 557323619 /nfs/dbraw/zinc/32/36/19/557323619.db2.gz SUCJNZHZRLXGME-DNVFCKCGSA-N 0 0 444.984 4.496 40 10 IICBRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1N(C)S(C)(=O)=O ZINC000222463934 557341573 /nfs/dbraw/zinc/34/15/73/557341573.db2.gz GKMCWXILQXVVEQ-IBGZPJMESA-N 0 0 443.613 4.118 40 10 IICBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000222810085 557389261 /nfs/dbraw/zinc/38/92/61/557389261.db2.gz QSIDJFJWXFKVIO-VXKWHMMOSA-N 0 0 434.565 4.268 40 10 IICBRN C[C@H](C(=O)N1CCCC[C@@H]1c1cccnc1)N1C(=O)/C(=C\c2ccco2)SC1=S ZINC000033583356 557414685 /nfs/dbraw/zinc/41/46/85/557414685.db2.gz JOYYRXNCKHUNDT-VCBQPIDTSA-N 0 0 427.551 4.018 40 10 IICBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000223011081 557415255 /nfs/dbraw/zinc/41/52/55/557415255.db2.gz KDDRWLDJCZLQPS-PKTZIBPZSA-N 0 0 436.581 4.117 40 10 IICBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000223055108 557422353 /nfs/dbraw/zinc/42/23/53/557422353.db2.gz RXTFZIRPGTZPCY-DHIUTWEWSA-N 0 0 436.581 4.204 40 10 IICBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000223055049 557422441 /nfs/dbraw/zinc/42/24/41/557422441.db2.gz RXTFZIRPGTZPCY-XZOQPEGZSA-N 0 0 436.581 4.204 40 10 IICBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000223061546 557423733 /nfs/dbraw/zinc/42/37/33/557423733.db2.gz YXBLLECJDRXFCU-DHIUTWEWSA-N 0 0 435.597 4.202 40 10 IICBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000014414274 557445372 /nfs/dbraw/zinc/44/53/72/557445372.db2.gz RBHRTCNRDYGJDM-BOPFTXTBSA-N 0 0 428.282 4.028 40 10 IICBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OCC)c(OC)c1 ZINC000014415122 557446764 /nfs/dbraw/zinc/44/67/64/557446764.db2.gz ZWDXADUPYLEWFE-PGMHBOJBSA-N 0 0 435.520 4.399 40 10 IICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(O)cc1 ZINC000223310574 557457698 /nfs/dbraw/zinc/45/76/98/557457698.db2.gz PXIPAMRCSLBGCL-ZTCOLXNVSA-N 0 0 448.592 4.346 40 10 IICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccn1 ZINC000223526478 557482114 /nfs/dbraw/zinc/48/21/14/557482114.db2.gz WLCYIHROZKCFJM-BJKOFHAPSA-N 0 0 440.576 4.452 40 10 IICBRN CC(NCCc1ccccc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000017094846 557485236 /nfs/dbraw/zinc/48/52/36/557485236.db2.gz CVWASZPPDWZGMD-NKFKGCMQSA-N 0 0 426.476 4.452 40 10 IICBRN CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1C ZINC000223583950 557488860 /nfs/dbraw/zinc/48/88/60/557488860.db2.gz HZFATXMHDNYRBG-UPVQGACJSA-N 0 0 434.609 4.325 40 10 IICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1c(C)cccc1C ZINC000223620628 557492990 /nfs/dbraw/zinc/49/29/90/557492990.db2.gz CNCAMGWHUMTWCA-LADGPHEKSA-N 0 0 434.609 4.461 40 10 IICBRN C[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260577586 557493332 /nfs/dbraw/zinc/49/33/32/557493332.db2.gz DCUDJHBQHZERPU-OALUTQOASA-N 0 0 433.552 4.177 40 10 IICBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C ZINC000223650017 557497107 /nfs/dbraw/zinc/49/71/07/557497107.db2.gz VQEFGDIMXJTOEU-ZEQRLZLVSA-N 0 0 448.592 4.333 40 10 IICBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C ZINC000223687131 557502383 /nfs/dbraw/zinc/50/23/83/557502383.db2.gz OCINIGGKFGVGMO-BJKOFHAPSA-N 0 0 448.592 4.333 40 10 IICBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 ZINC000223742181 557507839 /nfs/dbraw/zinc/50/78/39/557507839.db2.gz WKHKCXLETIJYSG-XZOQPEGZSA-N 0 0 434.565 4.106 40 10 IICBRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(N4CCCC4)cc3)c2)cc1 ZINC000223956341 557534401 /nfs/dbraw/zinc/53/44/01/557534401.db2.gz TTWZYUKLVWCOHZ-UHFFFAOYSA-N 0 0 449.576 4.326 40 10 IICBRN CN(c1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1)S(=O)(=O)c1ccccc1 ZINC000224254567 557581533 /nfs/dbraw/zinc/58/15/33/557581533.db2.gz CNRNEVCJJQHMAC-UHFFFAOYSA-N 0 0 449.576 4.042 40 10 IICBRN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000224612050 557630806 /nfs/dbraw/zinc/63/08/06/557630806.db2.gz LTDNPEVTXXEEMB-ULJHMMPZSA-N 0 0 429.520 4.276 40 10 IICBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)o1 ZINC000059138898 557816507 /nfs/dbraw/zinc/81/65/07/557816507.db2.gz KUMCXNYXDZIJAR-CPNJWEJPSA-N 0 0 431.404 4.172 40 10 IICBRN Nc1ccc(-c2ccc(N)c3c2C(=O)c2ccccc2C3=O)c2c1C(=O)c1ccccc1C2=O ZINC000031302834 563083238 /nfs/dbraw/zinc/08/32/38/563083238.db2.gz KNMQFBWXSICVQC-UHFFFAOYSA-N 0 0 444.446 4.069 40 10 IICBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)cc1 ZINC000260921334 568629508 /nfs/dbraw/zinc/62/95/08/568629508.db2.gz PJWQKIBCFCJRNW-AGILITTLSA-N 0 0 448.592 4.341 40 10 IICBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1 ZINC000033659280 569259664 /nfs/dbraw/zinc/25/96/64/569259664.db2.gz YWWDVOCBCGBXCZ-XNTDXEJSSA-N 0 0 449.351 4.004 40 10 IICBRN CCN1C(=O)/C(=C/c2cccc(OC)c2OCC(=O)Nc2ccc(F)cc2)SC1=S ZINC000034864372 569260069 /nfs/dbraw/zinc/26/00/69/569260069.db2.gz WRJYVUWHBVFGBV-BOPFTXTBSA-N 0 0 446.525 4.073 40 10 IICBRN CCOC(=O)CCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S ZINC000028048189 569406592 /nfs/dbraw/zinc/40/65/92/569406592.db2.gz ZQQSOKUZZXONTN-RGEXLXHISA-N 0 0 427.547 4.420 40 10 IICBRN Cc1ccc(S(=O)(=O)Oc2ccccc2[C@H]2NN=C(c3ccccc3O)S2)cc1 ZINC000003162206 569441072 /nfs/dbraw/zinc/44/10/72/569441072.db2.gz DNEUBYYXTZBHPY-NRFANRHFSA-N 0 0 426.519 4.165 40 10 IICBRN COc1ccc(N2CCN([C@H](c3nnnn3C3CCCCC3)c3ccccc3)CC2)cc1 ZINC000013503725 132347249 /nfs/dbraw/zinc/34/72/49/132347249.db2.gz OOCBWJCGVDUXGU-DEOSSOPVSA-N 0 0 432.572 4.099 40 10 IICBRN COc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2Cl)cc1 ZINC000041078404 523774051 /nfs/dbraw/zinc/77/40/51/523774051.db2.gz UMLJWKJCDKMDAE-HCNNPVLLSA-N 0 0 437.839 4.018 40 10 IICBRN COC(=O)COc1c(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cccc1OC ZINC000408530352 555727052 /nfs/dbraw/zinc/72/70/52/555727052.db2.gz KMGJRXJMKMKCBF-WQRHYEAKSA-N 0 0 443.546 4.270 40 10 IICBRN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCCCC1 ZINC000408534897 555755498 /nfs/dbraw/zinc/75/54/98/555755498.db2.gz RPXYQWYFPFPWND-JXAWBTAJSA-N 0 0 430.512 4.286 40 10 IICBRN COc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(C(C)C)C3=O)c2)c1 ZINC000408573795 555924010 /nfs/dbraw/zinc/92/40/10/555924010.db2.gz KNTMGRGZDHWXMN-ODLFYWEKSA-N 0 0 442.562 4.322 40 10 IICBRN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408624636 555994334 /nfs/dbraw/zinc/99/43/34/555994334.db2.gz QZCBITKQKAAHAD-UHFFFAOYSA-N 0 0 444.896 4.430 40 10 IICBRN Cc1nnc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)s1 ZINC000008820516 556220781 /nfs/dbraw/zinc/22/07/81/556220781.db2.gz BMPBJKCHEXIJPY-LFKWHJGZSA-N 0 0 430.580 4.023 40 10 IICBRN O=C1/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(F)c1 ZINC000032125034 556534039 /nfs/dbraw/zinc/53/40/39/556534039.db2.gz YTZKVEWKWZFBKP-CXUHLZMHSA-N 0 0 436.511 4.224 40 10 IICBRN COc1ccc2cc(CN(Cc3ccccc3)C(=S)NCc3ccco3)c(=O)[nH]c2c1 ZINC000000879630 556731157 /nfs/dbraw/zinc/73/11/57/556731157.db2.gz ZJWSHKNAYCBAHX-UHFFFAOYSA-N 0 0 433.533 4.207 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000408788882 556855992 /nfs/dbraw/zinc/85/59/92/556855992.db2.gz MTGVSEIOSXFNNE-PDGQHHTCSA-N 0 0 428.282 4.335 40 10 IICBRN COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(O)cc3)C2=O)cc1OC ZINC000408845301 556868618 /nfs/dbraw/zinc/86/86/18/556868618.db2.gz VTIJLBCAEUIWTQ-XSFVSMFZSA-N 0 0 430.460 4.253 40 10 IICBRN O=C1NC(=S)NC(=O)C1=Cc1c(OCc2cccc3ccccc32)ccc2ccccc21 ZINC000408884806 556877696 /nfs/dbraw/zinc/87/76/96/556877696.db2.gz ZVSJUWAUAIMBPC-UHFFFAOYSA-N 0 0 438.508 4.486 40 10 IICBRN COC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408901375 556882523 /nfs/dbraw/zinc/88/25/23/556882523.db2.gz DTFMALPYPQFJGK-MHWRWJLKSA-N 0 0 449.937 4.306 40 10 IICBRN CCCN1C(=O)/C(=C\c2cc(Cl)c(OC)c(OC)c2)C(=O)N(c2ccccc2)C1=S ZINC000409017641 556919580 /nfs/dbraw/zinc/91/95/80/556919580.db2.gz GGYSYCKETBOHCE-LFIBNONCSA-N 0 0 444.940 4.311 40 10 IICBRN COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)N(c2ccccc2)C1=O ZINC000409016909 556921669 /nfs/dbraw/zinc/92/16/69/556921669.db2.gz UFDAVJJAXMZNCT-HAVVHWLPSA-N 0 0 443.503 4.119 40 10 IICBRN CCN1C(=O)/C(=C\c2ccc(OC)c(C)c2OC)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409020389 556924268 /nfs/dbraw/zinc/92/42/68/556924268.db2.gz OUBCQAYWZKPPFT-SFQUDFHCSA-N 0 0 444.940 4.229 40 10 IICBRN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 ZINC000409055687 556938809 /nfs/dbraw/zinc/93/88/09/556938809.db2.gz AJNFLSUFVHJVSU-UYRXBGFRSA-N 0 0 441.524 4.276 40 10 IICBRN COCCCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C(C(=O)OC)=C1C ZINC000409061807 556939415 /nfs/dbraw/zinc/93/94/15/556939415.db2.gz ILDSFJQPXOYXPJ-HAHDFKILSA-N 0 0 436.552 4.420 40 10 IICBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccccc1F ZINC000409093709 556949572 /nfs/dbraw/zinc/94/95/72/556949572.db2.gz APSFJASUNUONOR-FYJGNVAPSA-N 0 0 446.482 4.073 40 10 IICBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(I)cc2)SC1=S ZINC000409207255 556996486 /nfs/dbraw/zinc/99/64/86/556996486.db2.gz UVNMNOJVCMPVBT-ZROIWOOFSA-N 0 0 440.331 4.247 40 10 IICBRN NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000409209271 556998274 /nfs/dbraw/zinc/99/82/74/556998274.db2.gz FBCGTDQMEIUSOE-VIZOYTHASA-N 0 0 439.345 4.263 40 10 IICBRN CCCCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O ZINC000409199532 556998771 /nfs/dbraw/zinc/99/87/71/556998771.db2.gz DJUZKPSNCRPWAK-MOSHPQCFSA-N 0 0 442.537 4.482 40 10 IICBRN CCOC(=O)COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OC ZINC000409203372 557002411 /nfs/dbraw/zinc/00/24/11/557002411.db2.gz VUDNJYJEYJRYKQ-XDHOZWIPSA-N 0 0 443.546 4.351 40 10 IICBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)N2CCCC[C@@H]2C)C1=O ZINC000409212338 557006878 /nfs/dbraw/zinc/00/68/78/557006878.db2.gz QBGDPBYVHSWTQA-PNWWAVQQSA-N 0 0 427.570 4.033 40 10 IICBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O ZINC000409216290 557011217 /nfs/dbraw/zinc/01/12/17/557011217.db2.gz JUYDQUKFBRQQBE-GEYIUBJWSA-N 0 0 442.537 4.481 40 10 IICBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)c2C)c1 ZINC000409220736 557016425 /nfs/dbraw/zinc/01/64/25/557016425.db2.gz FCIRKMWGLMVLDG-OEAKJJBVSA-N 0 0 443.503 4.282 40 10 IICBRN CCCN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(I)c3)c2C)C1=O ZINC000409235004 557026182 /nfs/dbraw/zinc/02/61/82/557026182.db2.gz ALVVKGVOIKLLCJ-LICLKQGHSA-N 0 0 449.292 4.001 40 10 IICBRN CCc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)C(C(=O)OC)=C2C)cc1 ZINC000409253326 557037652 /nfs/dbraw/zinc/03/76/52/557037652.db2.gz FOBLUABZOFZNMG-UNOMPAQXSA-N 0 0 437.492 4.152 40 10 IICBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OC(C)=O ZINC000409351101 557078739 /nfs/dbraw/zinc/07/87/39/557078739.db2.gz ZNAZOTXVEFRUQD-UNOMPAQXSA-N 0 0 429.519 4.425 40 10 IICBRN O=C(NCc1ccc(N2CCOCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000010113299 557205587 /nfs/dbraw/zinc/20/55/87/557205587.db2.gz HQXHIWBBIAYGHU-XIEYBQDHSA-N 0 0 443.503 4.288 40 10 IICBRN COc1cccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c1 ZINC000110422883 557210868 /nfs/dbraw/zinc/21/08/68/557210868.db2.gz ZGVCGRIVBZCAGJ-GIJQJNRQSA-N 0 0 428.579 4.144 40 10 IICBRN CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)ccc1N1CCOCC1 ZINC000222691913 557374941 /nfs/dbraw/zinc/37/49/41/557374941.db2.gz BVMRVIINSYDKQB-YFXJRYMSSA-N 0 0 438.597 4.296 40 10 IICBRN Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1Cc1ccccc1 ZINC000033571506 557413003 /nfs/dbraw/zinc/41/30/03/557413003.db2.gz LENYWSHTSHUKRW-YHRCQRQKSA-N 0 0 440.532 4.216 40 10 IICBRN CCN(CC)c1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000223169281 557440975 /nfs/dbraw/zinc/44/09/75/557440975.db2.gz KBNDXBKNQRHBIY-UHFFFAOYSA-N 0 0 437.565 4.264 40 10 IICBRN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000015056085 557457639 /nfs/dbraw/zinc/45/76/39/557457639.db2.gz NVIOEYZGTSUYHC-YVLHZVERSA-N 0 0 448.953 4.245 40 10 IICBRN C[C@H](C(=O)N1CCCC[C@H]1c1cccnc1)N1C(=O)/C(=C\c2ccco2)SC1=S ZINC000062825001 557467618 /nfs/dbraw/zinc/46/76/18/557467618.db2.gz JOYYRXNCKHUNDT-UUFXGUJGSA-N 0 0 427.551 4.018 40 10 IICBRN COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1cccc(OC(F)(F)F)c1 ZINC000017098362 557480991 /nfs/dbraw/zinc/48/09/91/557480991.db2.gz RWRRXNDMTCDPTC-UYRXBGFRSA-N 0 0 433.386 4.237 40 10 IICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1Cl ZINC000223576627 557487868 /nfs/dbraw/zinc/48/78/68/557487868.db2.gz SSLCJOUKSNSFOC-NHCUHLMSSA-N 0 0 426.973 4.107 40 10 IICBRN Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000224089431 557559303 /nfs/dbraw/zinc/55/93/03/557559303.db2.gz IMPVAABXAPREHZ-UHFFFAOYSA-N 0 0 437.565 4.134 40 10 IICBRN CN1C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C(=O)N(C)C1=S ZINC000059139429 557816765 /nfs/dbraw/zinc/81/67/65/557816765.db2.gz ASXCHBCYOHZSPT-UHFFFAOYSA-N 0 0 435.332 4.171 40 10 IICBRN CCN1C(=O)C(=Cc2cn(CCOc3ccccc3F)c3ccccc23)C(=O)NC1=S ZINC000059182285 557817723 /nfs/dbraw/zinc/81/77/23/557817723.db2.gz UZKFAYHTMOJQKU-GHRIWEEISA-N 0 0 437.496 4.346 40 10 IICBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)cc1 ZINC000260921337 568629678 /nfs/dbraw/zinc/62/96/78/568629678.db2.gz PJWQKIBCFCJRNW-FGCOXFRFSA-N 0 0 448.592 4.341 40 10 IICBRN COc1ccc(N2CCN(C(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000033826469 569259854 /nfs/dbraw/zinc/25/98/54/569259854.db2.gz LAXIXJYEXFKEKA-XVNBXDOJSA-N 0 0 436.295 4.272 40 10 IICBRN Cc1cccc(COc2cc(N(C)C)ccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 ZINC000107604107 569260450 /nfs/dbraw/zinc/26/04/50/569260450.db2.gz CELRWFZVWZOBKG-HAHDFKILSA-N 0 0 427.504 4.101 40 10 IICBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OC ZINC000206910458 569261254 /nfs/dbraw/zinc/26/12/54/569261254.db2.gz AKUGDHXIDRGTEF-GZTJUZNOSA-N 0 0 448.953 4.294 40 10 IICBRN CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(CCC(=O)OC)C1=O ZINC000028048175 569406542 /nfs/dbraw/zinc/40/65/42/569406542.db2.gz MPEFTDYUKCJWEX-GXDHUFHOSA-N 0 0 444.372 4.002 40 10 IICBRN COc1ccccc1OCCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1OC ZINC000002882649 569424183 /nfs/dbraw/zinc/42/41/83/569424183.db2.gz SNRBKDBJZXJHBA-ZHZULCJRSA-N 0 0 445.562 4.383 40 10 IICBRN COc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1 ZINC000041076256 569526392 /nfs/dbraw/zinc/52/63/92/569526392.db2.gz KTLZIVWTJLVAPU-JRCZNVDKSA-N 0 0 441.516 4.348 40 10 IICBRN O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)N1CCCc2ccccc21 ZINC000008819248 132295030 /nfs/dbraw/zinc/29/50/30/132295030.db2.gz LRVPQDDDYABCSJ-XMHGGMMESA-N 0 0 426.538 4.396 40 10 IICBRN O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc(Br)cc1 ZINC000008821893 132295042 /nfs/dbraw/zinc/29/50/42/132295042.db2.gz SRDHVPLSKPLMBR-AQTBWJFISA-N 0 0 446.345 4.381 40 10 IICBRN O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1ccccc1Br ZINC000009187960 132307709 /nfs/dbraw/zinc/30/77/09/132307709.db2.gz IWJLZOURTYWRSJ-AQTBWJFISA-N 0 0 446.345 4.381 40 10 IICBRN COc1ccc(N2CCN([C@H](c3nnnn3C3CCCC3)c3ccc(C)cc3)CC2)cc1 ZINC000013503848 132347269 /nfs/dbraw/zinc/34/72/69/132347269.db2.gz DSAOKNSGEAPMRN-DEOSSOPVSA-N 0 0 432.572 4.017 40 10 IICBRN COc1ccc(N2CCN([C@H](c3nnnn3C(C)(C)C)c3ccccc3Cl)CC2)cc1 ZINC000013504069 132347638 /nfs/dbraw/zinc/34/76/38/132347638.db2.gz IHCZTNRDWWJXRQ-NRFANRHFSA-N 0 0 440.979 4.002 40 10 IICBRN CCCCN1c2nc3ccccc3n2[C@H](c2ccc(N(C)C)cc2)[C@@H](C(=O)OCC)C1=O ZINC000020638380 520600499 /nfs/dbraw/zinc/60/04/99/520600499.db2.gz HBICVMPCZMERBY-FGZHOGPDSA-N 0 0 434.540 4.018 40 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/nfs/dbraw/zinc/53/05/82/556530582.db2.gz QBKVGEIORPJMJK-RQZCQDPDSA-N 0 0 434.876 4.173 40 10 IICBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(C)cc2)S1 ZINC000032111787 556530628 /nfs/dbraw/zinc/53/06/28/556530628.db2.gz SSHYLKKCVYEJFF-VCHYOVAHSA-N 0 0 445.338 4.443 40 10 IICBRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1NS(C)(=O)=O ZINC000260452863 556719823 /nfs/dbraw/zinc/71/98/23/556719823.db2.gz ACGXJFGUJJOFMO-WMZOPIPTSA-N 0 0 429.586 4.094 40 10 IICBRN Nc1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2-c2ccccc2)cc1 ZINC000000930579 556756007 /nfs/dbraw/zinc/75/60/07/556756007.db2.gz MLZQJHYBIVENHV-UHFFFAOYSA-N 0 0 448.527 4.332 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000408892110 556881477 /nfs/dbraw/zinc/88/14/77/556881477.db2.gz GELYWUCRXGFXQB-BOPFTXTBSA-N 0 0 443.253 4.235 40 10 IICBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OC ZINC000408938652 556897116 /nfs/dbraw/zinc/89/71/16/556897116.db2.gz LLBGHUQLJXXNFN-MHWRWJLKSA-N 0 0 443.297 4.298 40 10 IICBRN O=C1/C(=C\c2ccc(I)o2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408974353 556905195 /nfs/dbraw/zinc/90/51/95/556905195.db2.gz YFKBCBNYOKXHQD-FLIBITNWSA-N 0 0 432.139 4.233 40 10 IICBRN Cc1nc([C@H]2CCCCN2Cc2ccc(N3CCCCC3)cc2F)ncc1C(=O)N(C)C ZINC000019765576 556910254 /nfs/dbraw/zinc/91/02/54/556910254.db2.gz DJARBEMGTRKKJA-HSZRJFAPSA-N 0 0 439.579 4.343 40 10 IICBRN Cc1nc([C@@H]2CCCCN2Cc2ccc(N3CCCCC3)cc2F)ncc1C(=O)N(C)C ZINC000019765575 556910375 /nfs/dbraw/zinc/91/03/75/556910375.db2.gz DJARBEMGTRKKJA-QHCPKHFHSA-N 0 0 439.579 4.343 40 10 IICBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000408984180 556910609 /nfs/dbraw/zinc/91/06/09/556910609.db2.gz IEPIRNDQWOXPRL-YBEGLDIGSA-N 0 0 443.253 4.235 40 10 IICBRN O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409049650 556932422 /nfs/dbraw/zinc/93/24/22/556932422.db2.gz XOIWIKVCXHPEAE-UHFFFAOYSA-N 0 0 441.723 4.140 40 10 IICBRN CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(CC(=O)N3CCCC3)c21 ZINC000409133331 556968180 /nfs/dbraw/zinc/96/81/80/556968180.db2.gz QFZLPJKKBRAPIV-PDGQHHTCSA-N 0 0 427.595 4.047 40 10 IICBRN O=C1S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409189538 556995811 /nfs/dbraw/zinc/99/58/11/556995811.db2.gz QECLZXZWUPFFDN-LDADJPATSA-N 0 0 445.884 4.326 40 10 IICBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(N)=O ZINC000409209151 556998324 /nfs/dbraw/zinc/99/83/24/556998324.db2.gz GJOIMSLBXGUSMT-LICLKQGHSA-N 0 0 448.953 4.009 40 10 IICBRN CCOC(=O)COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OC ZINC000409202756 557001809 /nfs/dbraw/zinc/00/18/09/557001809.db2.gz UOUZFBNJTLYELZ-LDADJPATSA-N 0 0 435.567 4.171 40 10 IICBRN CCN1C(=O)C(=Cc2cn(CCOc3ccccc3)c3ccccc23)C(=O)N(CC)C1=S ZINC000409212125 557006800 /nfs/dbraw/zinc/00/68/00/557006800.db2.gz PEVYDEZIEDYUOO-UHFFFAOYSA-N 0 0 447.560 4.099 40 10 IICBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)ccc1N1CCCC1 ZINC000409215001 557009615 /nfs/dbraw/zinc/00/96/15/557009615.db2.gz ZDKRDWULYJBSST-HKWRFOASSA-N 0 0 427.570 4.034 40 10 IICBRN Cc1cc(/C=C2\NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409247521 557028961 /nfs/dbraw/zinc/02/89/61/557028961.db2.gz IAQQBKOIOKFXAT-XKZIYDEJSA-N 0 0 430.464 4.404 40 10 IICBRN O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2F)C1=O)Nc1cccc(F)c1 ZINC000409244389 557034114 /nfs/dbraw/zinc/03/41/14/557034114.db2.gz BVNNQUVCRFWOCJ-VXLYETTFSA-N 0 0 443.475 4.240 40 10 IICBRN O=C1/C(=C/c2ccc(O)c(Br)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409342551 557069910 /nfs/dbraw/zinc/06/99/10/557069910.db2.gz FQJRXOXQQDGWSE-AUWJEWJLSA-N 0 0 437.296 4.469 40 10 IICBRN O=C1/C(=C\c2ccc(O)c(Br)c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409338994 557074039 /nfs/dbraw/zinc/07/40/39/557074039.db2.gz CYFYCQDYERTNTC-GIDUJCDVSA-N 0 0 436.308 4.289 40 10 IICBRN COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1cc(OC)ccc1OC ZINC000409367038 557088212 /nfs/dbraw/zinc/08/82/12/557088212.db2.gz BIAFJPHSIXOKDV-UNOMPAQXSA-N 0 0 425.506 4.303 40 10 IICBRN CC(Nc1ccc(Cn2cnnc2)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C ZINC000101152995 557120787 /nfs/dbraw/zinc/12/07/87/557120787.db2.gz NVDIYYXRILVHQP-ZHZULCJRSA-N 0 0 429.509 4.045 40 10 IICBRN CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218442052 557199712 /nfs/dbraw/zinc/19/97/12/557199712.db2.gz FJZDXXZYBTXPGK-MOPGFXCFSA-N 0 0 443.613 4.200 40 10 IICBRN CCN(c1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1)S(C)(=O)=O ZINC000218781350 557215711 /nfs/dbraw/zinc/21/57/11/557215711.db2.gz IMVWUBYTAREEIN-RTBURBONSA-N 0 0 443.613 4.200 40 10 IICBRN C[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219219442 557231567 /nfs/dbraw/zinc/23/15/67/557231567.db2.gz GAPJOIUEBODHSU-MOPGFXCFSA-N 0 0 441.597 4.089 40 10 IICBRN COc1cc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000260592151 557242457 /nfs/dbraw/zinc/24/24/57/557242457.db2.gz PSDALHOBNNXFIM-IRXDYDNUSA-N 0 0 427.501 4.096 40 10 IICBRN COc1cccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000113831050 557307188 /nfs/dbraw/zinc/30/71/88/557307188.db2.gz PCSBXUNQPAWFDW-UHFFFAOYSA-N 0 0 449.290 4.015 40 10 IICBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C ZINC000222746046 557382181 /nfs/dbraw/zinc/38/21/81/557382181.db2.gz DWNVILYLSIBRLN-SFTDATJTSA-N 0 0 437.525 4.008 40 10 IICBRN CCOc1cccc(/C=C2\C(=O)N(c3ccc(F)c(Cl)c3)C(C)=C2C(=O)OC)c1O ZINC000014413836 557445340 /nfs/dbraw/zinc/44/53/40/557445340.db2.gz PMFMGKMCRORUKY-GDNBJRDFSA-N 0 0 431.847 4.461 40 10 IICBRN CCN1C(=O)C(=Cc2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C(=O)N(CC)C1=S ZINC000223491973 557479033 /nfs/dbraw/zinc/47/90/33/557479033.db2.gz QBWJLIYZFZKSGU-UHFFFAOYSA-N 0 0 425.598 4.476 40 10 IICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cc(C)ccc1C ZINC000223620377 557493003 /nfs/dbraw/zinc/49/30/03/557493003.db2.gz WFPDZROUEJVTBR-RPWUZVMVSA-N 0 0 434.609 4.461 40 10 IICBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C ZINC000223686843 557502431 /nfs/dbraw/zinc/50/24/31/557502431.db2.gz DECDABOBUIRWRL-ZEQRLZLVSA-N 0 0 448.592 4.333 40 10 IICBRN COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NC[C@H]2CCCO2)cc1 ZINC000019647719 557505596 /nfs/dbraw/zinc/50/55/96/557505596.db2.gz YWYVEMBZYCRXLA-AFDUHFSSSA-N 0 0 448.548 4.098 40 10 IICBRN CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223950511 557533293 /nfs/dbraw/zinc/53/32/93/557533293.db2.gz HEJXFXZXLCDJDC-JOCHJYFZSA-N 0 0 445.629 4.011 40 10 IICBRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCCC3)cc2)cc1N1CCCCS1(=O)=O ZINC000224399944 557601746 /nfs/dbraw/zinc/60/17/46/557601746.db2.gz XRGRQXFKMIQTCO-IBGZPJMESA-N 0 0 441.597 4.016 40 10 IICBRN COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)ccc1Cl ZINC000225127813 557690365 /nfs/dbraw/zinc/69/03/65/557690365.db2.gz XFYRCMGAUALJJU-OAHLLOKOSA-N 0 0 436.961 4.156 40 10 IICBRN CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000225839269 557783741 /nfs/dbraw/zinc/78/37/41/557783741.db2.gz ZLSLPVFBMXRIQL-OAHLLOKOSA-N 0 0 447.988 4.401 40 10 IICBRN CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000225839022 557783746 /nfs/dbraw/zinc/78/37/46/557783746.db2.gz YTDYTJZCOVZDAN-KRWDZBQOSA-N 0 0 427.570 4.056 40 10 IICBRN CC(C)CN(CC(C)C)c1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1[N+](=O)[O-] ZINC000059489896 557826144 /nfs/dbraw/zinc/82/61/44/557826144.db2.gz IZBBVQJTODQLRM-UHFFFAOYSA-N 0 0 430.501 4.467 40 10 IICBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(O)c(OC)c1 ZINC000059959325 557828179 /nfs/dbraw/zinc/82/81/79/557828179.db2.gz FWQJTNIWGSQFJW-SXGWCWSVSA-N 0 0 444.281 4.041 40 10 IICBRN CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)cc21 ZINC000260925517 568630022 /nfs/dbraw/zinc/63/00/22/568630022.db2.gz UYGMVXZOQAFYJN-LEWJYISDSA-N 0 0 443.016 4.332 40 10 IICBRN CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)C(=CNc2ccccc2C)SC1=S ZINC000256055367 568663387 /nfs/dbraw/zinc/66/33/87/568663387.db2.gz DNBUDZANCZEBJK-GXYBQNOFSA-N 0 0 426.563 4.283 40 10 IICBRN COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S ZINC000001238548 568774306 /nfs/dbraw/zinc/77/43/06/568774306.db2.gz XEJQTQIOGVWQCY-YVLHZVERSA-N 0 0 433.938 4.293 40 10 IICBRN Cc1ccc(OCCOCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000026593261 568888179 /nfs/dbraw/zinc/88/81/79/568888179.db2.gz JOGTZLCBQVBMQX-HKWRFOASSA-N 0 0 429.563 4.300 40 10 IICBRN COc1ccc(/C=C2/C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)cc1C[NH+]1CCCCC1 ZINC000100469102 568905053 /nfs/dbraw/zinc/90/50/53/568905053.db2.gz BYXMGZWNQSQQSC-PXLXIMEGSA-N 0 0 433.508 4.185 40 10 IICBRN CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(OC)cc2)C1=O ZINC000033401910 569259156 /nfs/dbraw/zinc/25/91/56/569259156.db2.gz BWYMHXFQVHHXOH-GZTJUZNOSA-N 0 0 448.953 4.294 40 10 IICBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3c(C)n(C)c4ccccc34)SC2=S)cc1 ZINC000034702743 569259952 /nfs/dbraw/zinc/25/99/52/569259952.db2.gz RIPKVOVCDKYEOV-UNOMPAQXSA-N 0 0 437.546 4.042 40 10 IICBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccccc1Br ZINC000107867361 569260701 /nfs/dbraw/zinc/26/07/01/569260701.db2.gz UEBGOMLDIWKDIJ-WJDWOHSUSA-N 0 0 443.253 4.235 40 10 IICBRN COc1cc(/C=C2/N=C(c3ccccc3)N(c3ccc(N(C)C(C)=O)cc3)C2=O)ccc1O ZINC000008955751 569292572 /nfs/dbraw/zinc/29/25/72/569292572.db2.gz DJQXMDJJOTUQEY-PXLXIMEGSA-N 0 0 441.487 4.218 40 10 IICBRN Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O ZINC000011907950 569303233 /nfs/dbraw/zinc/30/32/33/569303233.db2.gz MTHKDCZYNZGXGA-HJOGWXRNSA-N 0 0 427.504 4.112 40 10 IICBRN Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccccc1F ZINC000041076756 569526519 /nfs/dbraw/zinc/52/65/19/569526519.db2.gz NMJWOQXCLFCTRZ-WMEYRTBOSA-N 0 0 433.468 4.494 40 10 IICBRN