smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c1 ZINC000409346106 231193375 /nfs/dbraw/zinc/19/33/75/231193375.db2.gz NHVCSQODXFOVRQ-BOPFTXTBSA-N 0 0 398.509 3.844 40 10 GHCBRN CC(=O)Nc1ccc(NC2=NC(=O)C(=Cc3cccc([N+](=O)[O-])c3)S2)cc1 ZINC000005520246 204137474 /nfs/dbraw/zinc/13/74/74/204137474.db2.gz TUGAGACEQKUDDC-YBEGLDIGSA-N 0 0 382.401 3.636 40 10 GHCBRN COc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccc(N(C)C)cc3)n2)c1 ZINC000072322107 205031309 /nfs/dbraw/zinc/03/13/09/205031309.db2.gz JFZSAUAPWJJNSW-QFIPXVFZSA-N 0 0 392.503 3.725 40 10 biogenic,in-vitro GHCBRN CCN(CC)c1ccc(CNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224762121 206027914 /nfs/dbraw/zinc/02/79/14/206027914.db2.gz VJRPKQMGZAEDPZ-UHFFFAOYSA-N 0 0 387.505 3.991 40 10 GHCBRN Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225598700 206060084 /nfs/dbraw/zinc/06/00/84/206060084.db2.gz GVATYJCAXSFPKL-OAHLLOKOSA-N 0 0 376.497 3.849 40 10 GHCBRN CCCCOC(=O)CN1C(=O)/C(=C/c2ccccc2OCC)SC1=S ZINC000001810707 206211776 /nfs/dbraw/zinc/21/17/76/206211776.db2.gz ODMUVNFADYSXHQ-PTNGSMBKSA-N 0 0 379.503 3.630 40 10 GHCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(OC)ccc1OC ZINC000408981089 533265403 /nfs/dbraw/zinc/26/54/03/533265403.db2.gz YYYPUMPJLNLUFZ-UYRXBGFRSA-N 0 0 393.439 3.577 40 10 GHCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000409002386 533266637 /nfs/dbraw/zinc/26/66/37/533266637.db2.gz UEYNAIGPEIYTLM-ZDLGFXPLSA-N 0 0 391.423 3.909 40 10 GHCBRN COC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1 ZINC000409341310 533554846 /nfs/dbraw/zinc/55/48/46/533554846.db2.gz BCVNSCZIZGNGAN-GZTJUZNOSA-N 0 0 399.493 3.953 40 10 GHCBRN C[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000219041057 136204043 /nfs/dbraw/zinc/20/40/43/136204043.db2.gz DIHHBOBGCIONNP-SFHVURJKSA-N 0 0 390.483 3.760 40 10 GHCBRN Cc1cc2c(cc1C=C1C(=O)NC(=S)N(C)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223500456 136205785 /nfs/dbraw/zinc/20/57/85/136205785.db2.gz RIPAJDPAUMTLPM-LICLKQGHSA-N 0 0 397.544 3.662 40 10 GHCBRN Cc1cc2nc3s/c(=C\C=C\c4ccc(N(C)C)cc4)c(=O)n3c2cc1C ZINC000409394106 534134200 /nfs/dbraw/zinc/13/42/00/534134200.db2.gz VTGUPPIRDOKLBZ-NIGQNHAHSA-N 0 0 375.497 3.805 40 10 GHCBRN COc1ccc(N2CCN(C(=O)c3c(C)onc3-c3ccccc3)CC2)cc1 ZINC000000816382 524417102 /nfs/dbraw/zinc/41/71/02/524417102.db2.gz QOEOKUAZHXOIRZ-UHFFFAOYSA-N 0 0 377.444 3.621 40 10 GHCBRN CCCN1C(=O)N/C(=C/c2ccc(N(CC)CC)c(Br)c2)C1=O ZINC000409243202 528174608 /nfs/dbraw/zinc/17/46/08/528174608.db2.gz QHAWSEHZKMSBFG-SDNWHVSQSA-N 0 0 380.286 3.598 40 10 GHCBRN CCOc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(OCC)c1 ZINC000409076748 528370933 /nfs/dbraw/zinc/37/09/33/528370933.db2.gz CCPFBWHUAKNPLO-HAKPAVFJSA-N 0 0 393.530 3.864 40 10 GHCBRN COc1ccc(CN2C(=O)[C@H](Cc3ccc(OC)c(C)c3)SC2=S)cc1 ZINC000008336406 570471750 /nfs/dbraw/zinc/47/17/50/570471750.db2.gz YPFKRKVYTGIMFN-SFHVURJKSA-N 0 0 387.526 3.984 40 10 GHCBRN Cc1cc(N2CCCC2)c(F)cc1/C=c1\sc2nc3ccccc3n2c1=O ZINC000033540522 570645614 /nfs/dbraw/zinc/64/56/14/570645614.db2.gz BMRLCJGDERTTDV-UNOMPAQXSA-N 0 0 379.460 3.505 40 10 GHCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000059435785 570653782 /nfs/dbraw/zinc/65/37/82/570653782.db2.gz NMQGQHJAXDARAW-MOSHPQCFSA-N 0 0 393.439 3.577 40 10 GHCBRN COCCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)C(C(=O)OC)=C1C ZINC000006348318 570741186 /nfs/dbraw/zinc/74/11/86/570741186.db2.gz CJSHMRGELRTKDE-HKWRFOASSA-N 0 0 393.439 3.798 40 10 GHCBRN Cc1cccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)c1 ZINC000013547559 570757416 /nfs/dbraw/zinc/75/74/16/570757416.db2.gz STRJVLDWCYYRCX-RGEXLXHISA-N 0 0 381.476 3.927 40 10 GHCBRN CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1ccccc1O ZINC000261364503 859910173 /nfs/dbraw/zinc/91/01/73/859910173.db2.gz LVABHYWXUNYOQD-GOSISDBHSA-O 0 0 381.481 3.707 40 10 GHCBRN O=C(NC1=NC(=O)/C(=C/c2cccc(Br)c2)S1)c1ccccc1 ZINC000409127949 231168605 /nfs/dbraw/zinc/16/86/05/231168605.db2.gz DHQFPMGQXVFMIR-UVTDQMKNSA-N 0 0 387.258 3.849 40 10 GHCBRN Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000409146058 231171412 /nfs/dbraw/zinc/17/14/12/231171412.db2.gz QLOIYKWTAMGNMG-UNOMPAQXSA-N 0 0 389.480 3.504 40 10 GHCBRN CC[C@H](C)N1C(=O)/C(=C\c2ccc(Br)cc2)C(C(=O)OC)=C1C ZINC000409017086 529695635 /nfs/dbraw/zinc/69/56/35/529695635.db2.gz WJVRUNRQKSKSTH-SAIXKJTDSA-N 0 0 378.266 3.920 40 10 GHCBRN CC1=CC2=NC(=O)/C(=C/c3cccn3CCCOc3ccc(C)cc3)C(=N)N2O1 ZINC000041078264 203796841 /nfs/dbraw/zinc/79/68/41/203796841.db2.gz NEDMECLQZQWIDW-QLDKJHNESA-N 0 0 390.443 3.716 40 10 GHCBRN COc1cc(C=C2SC(Nc3cccc(O)c3)=NC2=O)cc(OC)c1OC ZINC000002593876 203950907 /nfs/dbraw/zinc/95/09/07/203950907.db2.gz FUHKYECGYRQAKW-CXUHLZMHSA-N 0 0 386.429 3.500 40 10 GHCBRN CN1C(=O)/C(=C\c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)SC1=S ZINC000005236028 204121214 /nfs/dbraw/zinc/12/12/14/204121214.db2.gz FAOKGQZRAMLUIP-XNTDXEJSSA-N 0 0 394.481 3.646 40 10 GHCBRN Cc1ccc(C(=O)N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 ZINC000005745376 204150023 /nfs/dbraw/zinc/15/00/23/204150023.db2.gz PMSRKKJIEFGPQF-CXUHLZMHSA-N 0 0 383.450 3.765 40 10 GHCBRN CN1C(=O)/C(=C/c2ccc(C(=O)OCCc3ccccc3)cc2)SC1=S ZINC000005374674 204129255 /nfs/dbraw/zinc/12/92/55/204129255.db2.gz XMGYNQYMFQRXJZ-LGMDPLHJSA-N 0 0 383.494 3.917 40 10 GHCBRN Cc1ccc(NC(=O)c2cnn3c2[nH]c(CSc2ccccn2)cc3=O)cc1 ZINC000019210707 204629222 /nfs/dbraw/zinc/62/92/22/204629222.db2.gz SFYMTWWRWIDLKS-UHFFFAOYSA-N 0 0 391.456 3.683 40 10 GHCBRN C[C@H](NC(=O)c1ccc2oc(=O)n(C)c2c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000036752753 205021574 /nfs/dbraw/zinc/02/15/74/205021574.db2.gz YWEQBWNQSCWYGC-INIZCTEOSA-N 0 0 393.487 3.859 40 10 GHCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C ZINC000222774216 205987055 /nfs/dbraw/zinc/98/70/55/205987055.db2.gz XCUGYBADPQHZHG-WOJBJXKFSA-N 0 0 377.517 3.877 40 10 GHCBRN COc1ccc(N(C)CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 ZINC000224992525 206032917 /nfs/dbraw/zinc/03/29/17/206032917.db2.gz BOYFLHOQMBVURH-UHFFFAOYSA-N 0 0 376.884 3.759 40 10 GHCBRN Cc1ccc(NC(=S)NCCN(C)c2ccccc2)cc1N1CCCC1=O ZINC000225572232 206058947 /nfs/dbraw/zinc/05/89/47/206058947.db2.gz RDULIINUWPMZJO-UHFFFAOYSA-N 0 0 382.533 3.545 40 10 GHCBRN COC(=O)c1cc(NC(=S)NCCN(C)c2ccc(C)cc2)ccc1Cl ZINC000225796068 206077362 /nfs/dbraw/zinc/07/73/62/206077362.db2.gz XPIPFZXSLHEBMF-UHFFFAOYSA-N 0 0 391.924 3.858 40 10 GHCBRN COC(=O)Cn1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c2ccccc21 ZINC000409122707 533785747 /nfs/dbraw/zinc/78/57/47/533785747.db2.gz BBXXKFJPUYEKOX-PXNMLYILSA-N 0 0 388.514 3.672 40 10 GHCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1O ZINC000409080748 528197329 /nfs/dbraw/zinc/19/73/29/528197329.db2.gz MOFHPRAMSDRERU-ZEVOCZHWSA-N 0 0 399.921 3.825 40 10 GHCBRN CCCCN1C(=O)/C(=C\c2cc(Br)ccc2O)C(C(=O)OC)=C1C ZINC000408584293 528450292 /nfs/dbraw/zinc/45/02/92/528450292.db2.gz NVXPJWWKJUSXGG-UVTDQMKNSA-N 0 0 394.265 3.627 40 10 GHCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OC)C(C(=O)OC)=C2C)cc1 ZINC000408894475 528483127 /nfs/dbraw/zinc/48/31/27/528483127.db2.gz QPKVTNIYLMWUPH-RGEXLXHISA-N 0 0 393.439 3.971 40 10 GHCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCCc1ccccc1 ZINC000102881306 570293071 /nfs/dbraw/zinc/29/30/71/570293071.db2.gz WHNZCPQPKWGOJS-XDJHFCHBSA-N 0 0 378.432 3.814 40 10 GHCBRN Nc1nc(N)c(/N=N\c2ccc(S(N)(=O)=O)cc2)cc1/N=N/c1ccccc1 ZINC000104090853 570297577 /nfs/dbraw/zinc/29/75/77/570297577.db2.gz BBTGLPAPGOMLPD-KUXGFVDGSA-N 0 0 396.436 3.724 40 10 GHCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ncccc1C ZINC000222748197 570423774 /nfs/dbraw/zinc/42/37/74/570423774.db2.gz ZNBWVQXOQHQVLX-RBUKOAKNSA-N 0 0 377.517 3.795 40 10 GHCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cccc(F)c1 ZINC000006348281 570741266 /nfs/dbraw/zinc/74/12/66/570741266.db2.gz AHVIZVPTUCRDAL-ZHZULCJRSA-N 0 0 395.430 3.750 40 10 GHCBRN O=C(NCc1ccc(N2CCOCC2)cc1)/C(=C/c1ccco1)c1ccccc1 ZINC000010113301 570782769 /nfs/dbraw/zinc/78/27/69/570782769.db2.gz NCEPJGOPQCTOCZ-HAVVHWLPSA-N 0 0 388.467 3.973 40 10 GHCBRN CCOc1ccccc1/C=C1/SC(=S)N(CC(=O)O[C@H](C)CC)C1=O ZINC000020010472 570951007 /nfs/dbraw/zinc/95/10/07/570951007.db2.gz ZITSVIPPJQDYKM-JXCQQFQQSA-N 0 0 379.503 3.628 40 10 GHCBRN COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1C ZINC000409226272 231183315 /nfs/dbraw/zinc/18/33/15/231183315.db2.gz MOVAAYOYFGJPJD-LDADJPATSA-N 0 0 394.496 3.958 40 10 GHCBRN COc1ccc(CCN2C(=O)/C(=C/c3ccc(O)c(O)c3)SC2=S)cc1 ZINC000005371245 204128065 /nfs/dbraw/zinc/12/80/65/204128065.db2.gz MOKQHRDINZGAGS-BOPFTXTBSA-N 0 0 387.482 3.550 40 10 GHCBRN CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc(C=O)cc3)SC2=S)cc1 ZINC000005375083 204129779 /nfs/dbraw/zinc/12/97/79/204129779.db2.gz DHEKYJPATSLJDR-YVLHZVERSA-N 0 0 382.466 3.863 40 10 GHCBRN O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1cccc(O)c1 ZINC000009187971 204302444 /nfs/dbraw/zinc/30/24/44/204302444.db2.gz SMLWYKZUVYRJLB-PDGQHHTCSA-N 0 0 399.903 3.838 40 10 GHCBRN O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000001288059 205707945 /nfs/dbraw/zinc/70/79/45/205707945.db2.gz HIROVLNEBLWMHZ-FMNNIJNLSA-N 0 0 384.320 3.829 40 10 GHCBRN O=C1CCCN1c1cccc(NC(=S)NCCCN2CCc3ccccc32)c1 ZINC000225561229 206057774 /nfs/dbraw/zinc/05/77/74/206057774.db2.gz MRRWMUBDUPGDAF-UHFFFAOYSA-N 0 0 394.544 3.553 40 10 GHCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccco4)c(Cl)c3)C(=N)N2O1 ZINC000041078386 206194719 /nfs/dbraw/zinc/19/47/19/206194719.db2.gz BDJSVBFQSBLXSV-FHJHWHQUSA-N 0 0 397.774 3.603 40 10 GHCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cccc(OC)c1O ZINC000408894456 533267550 /nfs/dbraw/zinc/26/75/50/533267550.db2.gz QNYVGMOBNZFUBM-ATVHPVEESA-N 0 0 379.412 3.586 40 10 GHCBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(O)c(OC)c1 ZINC000409058463 533268473 /nfs/dbraw/zinc/26/84/73/533268473.db2.gz OXAYBTNRQAMXJC-UVTDQMKNSA-N 0 0 399.830 3.931 40 10 GHCBRN COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1 ZINC000409348947 533353448 /nfs/dbraw/zinc/35/34/48/533353448.db2.gz TZJKYZUWHNCUHI-WJDWOHSUSA-N 0 0 385.466 3.745 40 10 GHCBRN COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc4c(c3)CCCC4)CC2)cc1 ZINC000223937167 136206086 /nfs/dbraw/zinc/20/60/86/136206086.db2.gz AQIWXWLGGNGXBW-GOSISDBHSA-N 0 0 394.515 3.690 40 10 GHCBRN CC(=O)NC1=NC(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)S1 ZINC000408601556 526696375 /nfs/dbraw/zinc/69/63/75/526696375.db2.gz KMMCTODZQSCDPU-VGOFMYFVSA-N 0 0 391.792 3.615 40 10 GHCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(C)=C2C(=O)OC)ccc1O ZINC000408798087 528195725 /nfs/dbraw/zinc/19/57/25/528195725.db2.gz UGDPZNPFERVMQB-BOPFTXTBSA-N 0 0 397.402 3.807 40 10 GHCBRN CCOc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(OCC)c1 ZINC000409137747 528370582 /nfs/dbraw/zinc/37/05/82/528370582.db2.gz XMOFTTCWJOFCTH-PDGQHHTCSA-N 0 0 396.468 3.884 40 10 GHCBRN CCCOc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OC ZINC000408945476 528641522 /nfs/dbraw/zinc/64/15/22/528641522.db2.gz WNHIBAWRFFICCO-QGOAFFKASA-N 0 0 378.428 3.926 40 10 GHCBRN CC[C@H](Oc1ccc(C)cc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000222950983 536045203 /nfs/dbraw/zinc/04/52/03/536045203.db2.gz QTHVREXGHUSHEY-NRFANRHFSA-N 0 0 382.504 3.818 40 10 GHCBRN O=C(NN1C(=O)/C(=C\c2cccc(O)c2)SC1=S)c1ccc(Cl)cc1 ZINC000040940241 570270555 /nfs/dbraw/zinc/27/05/55/570270555.db2.gz GVTRWBIOCWJDRI-NTEUORMPSA-N 0 0 390.873 3.592 40 10 GHCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cc(C)ccn1 ZINC000222747910 570423831 /nfs/dbraw/zinc/42/38/31/570423831.db2.gz AXQREOQMRQABRU-VQTJNVASSA-N 0 0 377.517 3.795 40 10 GHCBRN COc1ccc(S[C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000042241135 570618573 /nfs/dbraw/zinc/61/85/73/570618573.db2.gz OGTHOUAMAJLZDB-MRXNPFEDSA-N 0 0 386.517 3.533 40 10 GHCBRN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000016399730 570912721 /nfs/dbraw/zinc/91/27/21/570912721.db2.gz KOEBINNAVCEWSW-ZROIWOOFSA-N 0 0 387.398 3.909 40 10 GHCBRN COc1cc(OC)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1Cl ZINC000409084216 231156936 /nfs/dbraw/zinc/15/69/36/231156936.db2.gz XEEIHFAKAVYCJS-URXIRXLPSA-N 0 0 399.921 3.737 40 10 GHCBRN CCCCOc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)OC)C2=O)cc1 ZINC000027563099 203784389 /nfs/dbraw/zinc/78/43/89/203784389.db2.gz LXAZIVQNFBMEHX-CMHHUMAZSA-N 0 0 379.503 3.628 40 10 GHCBRN O=C1/C(=C/c2ccccc2O)SC(=S)N1CNc1ccc([N+](=O)[O-])cc1 ZINC000013398535 204489740 /nfs/dbraw/zinc/48/97/40/204489740.db2.gz GRFVWIJERNOQKZ-DHDCSXOGSA-N 0 0 387.442 3.571 40 10 GHCBRN COC(=O)c1cccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000225417588 206047921 /nfs/dbraw/zinc/04/79/21/206047921.db2.gz SOILCTRKOZYCNH-UHFFFAOYSA-N 0 0 383.517 3.950 40 10 GHCBRN CN(CCNC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1 ZINC000225572322 206059580 /nfs/dbraw/zinc/05/95/80/206059580.db2.gz BPTBSEMXZNERMF-UHFFFAOYSA-N 0 0 396.560 3.736 40 10 GHCBRN C[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(N4CCCC4=O)c3)cc2)C1 ZINC000225636716 206063137 /nfs/dbraw/zinc/06/31/37/206063137.db2.gz AUAIJVVKVCNCKN-SFHVURJKSA-N 0 0 391.515 3.980 40 10 GHCBRN COc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1O ZINC000004551111 206214472 /nfs/dbraw/zinc/21/44/72/206214472.db2.gz CUTKGWUSPVMPFH-ILUQACKLSA-N 0 0 384.461 3.600 40 10 GHCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 ZINC000408894400 533267705 /nfs/dbraw/zinc/26/77/05/533267705.db2.gz QICMBRRRLMEWTP-PDGQHHTCSA-N 0 0 393.439 3.889 40 10 GHCBRN COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(Cl)cc1 ZINC000112121486 533323249 /nfs/dbraw/zinc/32/32/49/533323249.db2.gz LRTRVRJQZRUCTK-UYRXBGFRSA-N 0 0 383.835 3.992 40 10 GHCBRN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000222835944 136205003 /nfs/dbraw/zinc/20/50/03/136205003.db2.gz YGCWZLXSAIRMER-AWEZNQCLSA-N 0 0 377.510 3.567 40 10 GHCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3F)C(C)=C2C(=O)OC)ccc1O ZINC000408893979 528196454 /nfs/dbraw/zinc/19/64/54/528196454.db2.gz PKUQDPCLENJVOL-PTNGSMBKSA-N 0 0 397.402 3.807 40 10 GHCBRN 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/nfs/dbraw/zinc/87/44/03/570874403.db2.gz MTLXHSZHMCBOCG-UHFFFAOYSA-N 0 0 381.476 3.913 40 10 GHCBRN COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O ZINC000016661712 570929711 /nfs/dbraw/zinc/92/97/11/570929711.db2.gz DDEYJMLUMXLRHK-LFIBNONCSA-N 0 0 384.482 3.550 40 10 GHCBRN Nc1nc(N)c(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1/N=N/c1ccccc1 ZINC000017426581 570946974 /nfs/dbraw/zinc/94/69/74/570946974.db2.gz BBTGLPAPGOMLPD-BQASJOSNSA-N 0 0 396.436 3.724 40 10 GHCBRN Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1N1CCCC1 ZINC000019716202 571038346 /nfs/dbraw/zinc/03/83/46/571038346.db2.gz OERZHNPJPIXAOV-LJQANCHMSA-N 0 0 393.531 3.923 40 10 GHCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc2c(cc1Br)OCO2 ZINC000020244056 840375359 /nfs/dbraw/zinc/37/53/59/840375359.db2.gz YXUYKPDJXGIDHZ-VGOFMYFVSA-N 0 0 385.217 3.984 40 10 GHCBRN COc1cc(C=C2SC(Nc3ccc(C)cc3)=NC2=O)ccc1OCC#N ZINC000007164991 856545600 /nfs/dbraw/zinc/54/56/00/856545600.db2.gz LXEAIYNFBZZADW-PDGQHHTCSA-N 0 0 379.441 3.988 40 10 GHCBRN COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000006654838 856546174 /nfs/dbraw/zinc/54/61/74/856546174.db2.gz FQQCKLRRVRDVAZ-CJAAZZPWSA-N 0 0 396.270 3.845 40 10 GHCBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccccc1F ZINC000035074562 856552697 /nfs/dbraw/zinc/55/26/97/856552697.db2.gz VLIPYUKJALGCDJ-AQTBWJFISA-N 0 0 375.403 3.695 40 10 GHCBRN CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 ZINC000408871396 529775152 /nfs/dbraw/zinc/77/51/52/529775152.db2.gz ZKRNNRULMVBFAS-BOPFTXTBSA-N 0 0 399.447 3.567 40 10 GHCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2cc(C)on2)C1=O ZINC000004745633 204073578 /nfs/dbraw/zinc/07/35/78/204073578.db2.gz QAMDDICDXNARPE-VQDQISGBSA-N 0 0 399.497 3.769 40 10 GHCBRN COc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc1Cl ZINC000013280874 205080599 /nfs/dbraw/zinc/08/05/99/205080599.db2.gz HGGKEFIEODVKNA-TUQWILOLSA-N 0 0 399.863 3.778 40 10 GHCBRN CCOC(=O)c1cccc(-c2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)o2)c1 ZINC000041078281 206195790 /nfs/dbraw/zinc/19/57/90/206195790.db2.gz WDLCPOFLWBZFDO-SAIIIAOYSA-N 0 0 391.383 3.574 40 10 GHCBRN N=C1/C(=C/c2cccc3ccccc23)C(=O)N=C2SC(N3CCCCC3)=NN21 ZINC000041084832 206195818 /nfs/dbraw/zinc/19/58/18/206195818.db2.gz HGSSPWDTWITBET-LKUHCXOVSA-N 0 0 389.484 3.902 40 10 GHCBRN O=C(CSc1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)cc1 ZINC000013670692 527032836 /nfs/dbraw/zinc/03/28/36/527032836.db2.gz PJAZJOZCLJNPOK-UHFFFAOYSA-N 0 0 376.909 3.585 40 10 GHCBRN CCCN1C(=O)/C(=C\c2ccccc2OC)C(=O)N(c2ccccc2)C1=S ZINC000409022842 528163273 /nfs/dbraw/zinc/16/32/73/528163273.db2.gz UOVRRSNQLILEKG-SAPNQHFASA-N 0 0 380.469 3.649 40 10 GHCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)cc1OC ZINC000409081145 528197099 /nfs/dbraw/zinc/19/70/99/528197099.db2.gz GLRJLOPEPGTGIJ-XGHPXPSOSA-N 0 0 393.530 3.783 40 10 GHCBRN CCN1C(=O)/C(=C\C=C2/Sc3cc(C)c(C)cc3N2CCO)SC1=S ZINC000004797765 570632980 /nfs/dbraw/zinc/63/29/80/570632980.db2.gz FKANFWHPUVJIDT-ISJKIFLQSA-N 0 0 392.571 3.813 40 10 GHCBRN CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000044948594 570645150 /nfs/dbraw/zinc/64/51/50/570645150.db2.gz SMHGBDPXNZLMDX-LJQANCHMSA-N 0 0 388.895 3.855 40 10 GHCBRN CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(OC)cc3)c2C)C(=O)NC1=S ZINC000059182289 570651222 /nfs/dbraw/zinc/65/12/22/570651222.db2.gz HDGAFRGVCRAZNK-GZTJUZNOSA-N 0 0 383.473 3.590 40 10 GHCBRN O=C(CCCOc1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)cc1 ZINC000010113457 570782855 /nfs/dbraw/zinc/78/28/55/570782855.db2.gz NAFYRNSERIHFNV-UHFFFAOYSA-N 0 0 388.895 3.652 40 10 GHCBRN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccnc3)C2=O)cc1 ZINC000017373747 570946582 /nfs/dbraw/zinc/94/65/82/570946582.db2.gz KWCSSHMSDJDTKF-LFIBNONCSA-N 0 0 383.498 3.620 40 10 GHCBRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1N1CCOCC1 ZINC000409245715 231186404 /nfs/dbraw/zinc/18/64/04/231186404.db2.gz YAXYRNMSPOHESR-QGOAFFKASA-N 0 0 397.862 3.582 40 10 GHCBRN CC1CCN(C(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)CC1 ZINC000004745569 204073833 /nfs/dbraw/zinc/07/38/33/204073833.db2.gz ORKYGSAHPDRMCB-NTCAYCPXSA-N 0 0 378.519 3.520 40 10 GHCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(C(=O)c3ccncc3)C2=O)cc1 ZINC000005261414 204122074 /nfs/dbraw/zinc/12/20/74/204122074.db2.gz HBTIBZOKPBGVIF-LGMDPLHJSA-N 0 0 397.525 3.969 40 10 GHCBRN CC1CCN(C(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)CC1 ZINC000005370782 204128794 /nfs/dbraw/zinc/12/87/94/204128794.db2.gz JYQXAOMHVYLKCV-WIXUPIFPSA-N 0 0 386.542 3.703 40 10 GHCBRN O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccccc1F ZINC000005372956 204129990 /nfs/dbraw/zinc/12/99/90/204129990.db2.gz KHIVGLJUAYFDMT-AQTBWJFISA-N 0 0 385.439 3.757 40 10 GHCBRN COC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S ZINC000004714283 205753360 /nfs/dbraw/zinc/75/33/60/205753360.db2.gz ASTOLJXBBHKEPZ-QINSGFPZSA-N 0 0 379.503 3.630 40 10 GHCBRN CCc1ccc(OCCn2cccc2/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1 ZINC000041078256 206195185 /nfs/dbraw/zinc/19/51/85/206195185.db2.gz OGXLUPDTWGRNRE-QLDKJHNESA-N 0 0 390.443 3.580 40 10 GHCBRN CC1CCN(C2=NN3C(=NC(=O)/C(=C\c4ccc(Cl)cc4)C3=N)S2)CC1 ZINC000041084647 206194582 /nfs/dbraw/zinc/19/45/82/206194582.db2.gz AKDKWGRAWFGPSX-UKMRQWHXSA-N 0 0 387.896 3.649 40 10 GHCBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(C)cc1 ZINC000408584795 533267743 /nfs/dbraw/zinc/26/77/43/533267743.db2.gz VDLPTAOEEBTUBC-PDGQHHTCSA-N 0 0 378.384 3.780 40 10 GHCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cccc(OC)c1O ZINC000408891551 533266564 /nfs/dbraw/zinc/26/65/64/533266564.db2.gz ADPMFQPOJHALGG-VVTMIQRTSA-N 0 0 393.439 3.835 40 10 GHCBRN C[C@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000065222503 136160340 /nfs/dbraw/zinc/16/03/40/136160340.db2.gz JHRGDKRKCRNHGH-ZDUSSCGKSA-N 0 0 377.460 3.849 40 10 GHCBRN O=C(CCc1ccc2c(c1)OCCO2)NCc1ccc(N2CCCCC2)cc1 ZINC000222642912 136204964 /nfs/dbraw/zinc/20/49/64/136204964.db2.gz KWYIEAKITWMCEC-UHFFFAOYSA-N 0 0 380.488 3.697 40 10 GHCBRN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\SC(=O)N(C)C3=O)c2C)c1 ZINC000408813634 534050350 /nfs/dbraw/zinc/05/03/50/534050350.db2.gz DKMGSCBIGMXSSG-YVLHZVERSA-N 0 0 384.457 3.855 40 10 GHCBRN CCn1c(S[C@H](C)C(=O)Nc2ccc(N)cc2)nnc1-c1cccc(C)c1 ZINC000000930597 523245092 /nfs/dbraw/zinc/24/50/92/523245092.db2.gz WDTACZLWBPRHHN-CQSZACIVSA-N 0 0 381.505 3.975 40 10 GHCBRN CCN1c2cc(C)c(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2C(C)=CC1(C)C ZINC000113820672 535785171 /nfs/dbraw/zinc/78/51/71/535785171.db2.gz ZAUULJBBPVYPEX-UHFFFAOYSA-N 0 0 397.544 3.616 40 10 GHCBRN CN(C)c1ccc(CNC2(Cc3cc(-c4ccc(F)cc4)on3)COC2)cc1 ZINC000067897867 560050284 /nfs/dbraw/zinc/05/02/84/560050284.db2.gz VACVGTOUFDXYNN-UHFFFAOYSA-N 0 0 381.451 3.648 40 10 biogenic,in-vitro GHCBRN O=C1NC(=S)S/C1=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 ZINC000040942091 570270471 /nfs/dbraw/zinc/27/04/71/570270471.db2.gz DXFADSFNYYVWTP-PFONDFGASA-N 0 0 386.885 3.746 40 10 GHCBRN Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260795960 570706382 /nfs/dbraw/zinc/70/63/82/570706382.db2.gz NIWUQLOTIJNECK-UONOGXRCSA-N 0 0 377.510 3.567 40 10 GHCBRN CN1C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)NC1=S ZINC000001242059 570714088 /nfs/dbraw/zinc/71/40/88/570714088.db2.gz KVESKEYFFRUBFS-GZTJUZNOSA-N 0 0 375.453 3.786 40 10 GHCBRN COc1ccc(N2CCOCC2)c(NC(=O)c2cccc(Br)c2)c1 ZINC000007496855 570759904 /nfs/dbraw/zinc/75/99/04/570759904.db2.gz NGHDYHGQBKATMJ-UHFFFAOYSA-N 0 0 391.265 3.547 40 10 GHCBRN Cc1ccc(NC(=O)COc2ccc(C=C3SC(=S)NC3=O)cc2)cc1 ZINC000015055967 570901541 /nfs/dbraw/zinc/90/15/41/570901541.db2.gz JXFDJEYHUZBGLW-YBEGLDIGSA-N 0 0 384.482 3.501 40 10 GHCBRN COC(=O)C=C1NN(c2ccccc2)C([O-])=C1C(C)=[NH+]Cc1ccc(Cl)cc1 ZINC000017081392 570918998 /nfs/dbraw/zinc/91/89/98/570918998.db2.gz ZRCHHAYKBNIJKY-ZHZULCJRSA-N 0 0 397.862 3.670 40 10 GHCBRN CC(=O)O[C@@H](C)c1cc2c(s1)C(=O)c1scc([C@H](C)OC(C)=O)c1C2=O ZINC000001652353 203916101 /nfs/dbraw/zinc/91/61/01/203916101.db2.gz JFEMGTTXNHRUOR-YUMQZZPRSA-N 0 0 392.454 3.833 40 10 GHCBRN Cn1cccc1/C=C1/SC(=S)N(NC(=O)c2ccc(C(C)(C)C)cc2)C1=O ZINC000005552655 204138984 /nfs/dbraw/zinc/13/89/84/204138984.db2.gz JYNHOMJHVWNYPB-FOWTUZBSSA-N 0 0 399.541 3.869 40 10 GHCBRN COc1cccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)c1 ZINC000009189260 204301997 /nfs/dbraw/zinc/30/19/97/204301997.db2.gz KWSNFFGZWAOQDZ-RGEXLXHISA-N 0 0 397.475 3.627 40 10 GHCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)n1-c1ccccc1 ZINC000223635632 206003955 /nfs/dbraw/zinc/00/39/55/206003955.db2.gz BDXPCPFKIRKDQM-SFTDATJTSA-N 0 0 392.528 3.536 40 10 GHCBRN C[C@@H](NC(=S)Nc1c(F)cccc1F)c1ccc(N2CCOCC2)cc1 ZINC000225838710 206080358 /nfs/dbraw/zinc/08/03/58/206080358.db2.gz LWOCQOFFDRCMFZ-CYBMUJFWSA-N 0 0 377.460 3.849 40 10 GHCBRN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 ZINC000409024446 533265110 /nfs/dbraw/zinc/26/51/10/533265110.db2.gz YLLAKSPWQMLLRD-PDGQHHTCSA-N 0 0 393.439 3.577 40 10 GHCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1O ZINC000409344300 533474491 /nfs/dbraw/zinc/47/44/91/533474491.db2.gz IUXDZWWDWXDNJL-NVNXTCNLSA-N 0 0 388.426 3.715 40 10 GHCBRN Cc1cc(N2CCOCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222597133 136204900 /nfs/dbraw/zinc/20/49/00/136204900.db2.gz YKFXZAXSVNLPJE-ORYQWCPZSA-N 0 0 394.544 3.816 40 10 GHCBRN O=C(c1ccc(F)cc1)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000408720058 534706446 /nfs/dbraw/zinc/70/64/46/534706446.db2.gz WSRRZZBPHVTNOL-NTEUORMPSA-N 0 0 388.401 3.776 40 10 GHCBRN CCN1C(=O)/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)SC1=S ZINC000409378154 528943211 /nfs/dbraw/zinc/94/32/11/528943211.db2.gz MSIUWGDZXZLTGT-YBEGLDIGSA-N 0 0 378.519 3.525 40 10 GHCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(OC)c1O ZINC000059959152 570660447 /nfs/dbraw/zinc/66/04/47/570660447.db2.gz XUKQZOHESDFFKR-YBEGLDIGSA-N 0 0 399.830 3.931 40 10 GHCBRN CCOc1ccccc1/C=C1\C(=O)N(c2ccc(OC)cc2)C(C)=C1C(=O)OC ZINC000408794941 231115109 /nfs/dbraw/zinc/11/51/09/231115109.db2.gz KQINSZRTDHCRKR-RGEXLXHISA-N 0 0 393.439 3.971 40 10 GHCBRN COc1ccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1O ZINC000409041311 231150707 /nfs/dbraw/zinc/15/07/07/231150707.db2.gz UVPIQDRDEXGSAF-UITAMQMPSA-N 0 0 398.287 3.902 40 10 GHCBRN Cc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)n1-c1cccnc1 ZINC000409093279 231157939 /nfs/dbraw/zinc/15/79/39/231157939.db2.gz YNCXHQUWPXDLRZ-RMFUMNGISA-N 0 0 399.541 3.869 40 10 GHCBRN CCCCNC(=O)CCCN1C(=O)/C(=C/c2cccc(OC)c2)SC1=S ZINC000004745279 204073760 /nfs/dbraw/zinc/07/37/60/204073760.db2.gz DLZCRSRUECNLQO-SSZFMOIBSA-N 0 0 392.546 3.593 40 10 GHCBRN O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000005551870 204138938 /nfs/dbraw/zinc/13/89/38/204138938.db2.gz JWTRTUPXDPXGJV-PTNGSMBKSA-N 0 0 388.901 3.815 40 10 GHCBRN O=C(c1cccc([N+](=O)[O-])c1)N1C(=O)/C(=C\c2ccccc2F)SC1=S ZINC000005583205 204141397 /nfs/dbraw/zinc/14/13/97/204141397.db2.gz WDCSAUFOXXTYEZ-NTEUORMPSA-N 0 0 388.401 3.776 40 10 GHCBRN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1CCOc1ccccc1 ZINC000009188783 204301979 /nfs/dbraw/zinc/30/19/79/204301979.db2.gz UCBMLIOIEPJYDM-VBKFSLOCSA-N 0 0 386.454 3.875 40 10 GHCBRN O=C(Nc1ccc(Cl)cc1)c1cnn2c1[nH]c(Cc1ccsc1)cc2=O ZINC000100776111 205611369 /nfs/dbraw/zinc/61/13/69/205611369.db2.gz XUMVRADJCCJYCY-UHFFFAOYSA-N 0 0 384.848 3.993 40 10 GHCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C ZINC000222774039 205986635 /nfs/dbraw/zinc/98/66/35/205986635.db2.gz XCUGYBADPQHZHG-PMACEKPBSA-N 0 0 377.517 3.877 40 10 GHCBRN CCOC(=O)c1cccc(NC(=S)NCCCN2CCc3ccccc32)c1 ZINC000225560500 206057566 /nfs/dbraw/zinc/05/75/66/206057566.db2.gz HWROKXWEYRYHLY-UHFFFAOYSA-N 0 0 383.517 3.603 40 10 GHCBRN COc1ccc(NC(=S)NCCCN2CCCc3ccccc32)c(OC)c1 ZINC000225745213 206072743 /nfs/dbraw/zinc/07/27/43/206072743.db2.gz ROTZUPXYSJUXJC-UHFFFAOYSA-N 0 0 385.533 3.833 40 10 GHCBRN Cc1ccc(N(C)CCNC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 ZINC000225796741 206077865 /nfs/dbraw/zinc/07/78/65/206077865.db2.gz QLCFYVSPHULYTB-UHFFFAOYSA-N 0 0 382.533 3.545 40 10 GHCBRN CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000225880843 206082332 /nfs/dbraw/zinc/08/23/32/206082332.db2.gz QUXFGLIXGVRYRX-UHFFFAOYSA-N 0 0 397.338 3.774 40 10 GHCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000408894371 533267217 /nfs/dbraw/zinc/26/72/17/533267217.db2.gz QEKNKMFHBVEPKP-UNOMPAQXSA-N 0 0 393.439 3.889 40 10 GHCBRN CCCCCCc1c(C)nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c1=O ZINC000014608483 136201651 /nfs/dbraw/zinc/20/16/51/136201651.db2.gz CTQDHKJBBFLASA-UHFFFAOYSA-N 0 0 384.524 3.536 40 10 GHCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O ZINC000409104016 534226664 /nfs/dbraw/zinc/22/66/64/534226664.db2.gz YDADNHURTNITAF-RQNDZEIBSA-N 0 0 384.457 3.692 40 10 GHCBRN CCOCCCNC(C)=C1C(=O)N(c2ccc(OC)cc2)N=C1c1ccccc1 ZINC000112123426 528659704 /nfs/dbraw/zinc/65/97/04/528659704.db2.gz HBCPGJMWUJFVRW-FXBPSFAMSA-N 0 0 393.487 3.736 40 10 GHCBRN COc1cc2c(cc1O)[C@H](CSC)Cc1cc3c(cc1N(C)CC2)OCO3 ZINC000002028194 570272417 /nfs/dbraw/zinc/27/24/17/570272417.db2.gz SHZPKHCRSMQQSP-HNNXBMFYSA-N 0 0 387.501 3.811 40 10 GHCBRN 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3.559 40 10 GHCBRN COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O ZINC000409233303 231184708 /nfs/dbraw/zinc/18/47/08/231184708.db2.gz FJHPGYOULNKMJS-SFQUDFHCSA-N 0 0 385.489 3.870 40 10 GHCBRN O=C(CN1C(=O)SC(=Cc2ccc(O)c(O)c2)C1=O)c1ccc(Cl)cc1 ZINC000409316516 231190163 /nfs/dbraw/zinc/19/01/63/231190163.db2.gz YRAUYYWVVHFVJT-LZYBPNLTSA-N 0 0 389.816 3.670 40 10 GHCBRN Cc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000033367603 203788320 /nfs/dbraw/zinc/78/83/20/203788320.db2.gz HVRBTWWJGBRCAZ-ZFWHUMDSSA-N 0 0 383.864 3.997 40 10 GHCBRN COC(=O)c1ccc(C=C2SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)cc1 ZINC000005372911 204129848 /nfs/dbraw/zinc/12/98/48/204129848.db2.gz SFQZTDROSAVFNX-BOPFTXTBSA-N 0 0 395.440 3.514 40 10 GHCBRN O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NC1CCCCC1 ZINC000012273933 204388060 /nfs/dbraw/zinc/38/80/60/204388060.db2.gz HYHJTFLHHIWMKX-DESBJYGPSA-N 0 0 386.542 3.893 40 10 GHCBRN CC1=NN(c2cccc(Br)c2)C(=O)/C1=C1/C(=O)Nc2ccccc21 ZINC000016694199 204598525 /nfs/dbraw/zinc/59/85/25/204598525.db2.gz NERNNQLOHSDVPS-FOCLMDBBSA-N 0 0 382.217 3.578 40 10 GHCBRN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cccc(OC)c1O ZINC000409059785 533265246 /nfs/dbraw/zinc/26/52/46/533265246.db2.gz OKMJIOWTEQSHEL-JXAWBTAJSA-N 0 0 397.471 3.964 40 10 GHCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cccc(OC)c1O ZINC000409017320 533266588 /nfs/dbraw/zinc/26/65/88/533266588.db2.gz MRUMJVGUYIIFOT-PDGQHHTCSA-N 0 0 393.439 3.895 40 10 GHCBRN COc1cccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1O ZINC000409037560 533387760 /nfs/dbraw/zinc/38/77/60/533387760.db2.gz CZNIZGUWDIMCDO-TWGQIWQCSA-N 0 0 398.287 3.902 40 10 GHCBRN COc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c(C)c1 ZINC000224561429 136207134 /nfs/dbraw/zinc/20/71/34/136207134.db2.gz FYLDTAYECBQAIK-UHFFFAOYSA-N 0 0 388.533 3.781 40 10 GHCBRN COC(=O)c1ccc(Cl)c(-c2ccc(C=C3SC(=S)NC3=O)o2)c1 ZINC000408820582 534156810 /nfs/dbraw/zinc/15/68/10/534156810.db2.gz YUYMCKFQZSPLIC-QPEQYQDCSA-N 0 0 379.846 3.875 40 10 GHCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000409032512 528145369 /nfs/dbraw/zinc/14/53/69/528145369.db2.gz JSOIQIBMQUHNMR-RUDMXATFSA-N 0 0 396.271 3.917 40 10 GHCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(O)cc1O ZINC000409031971 528146217 /nfs/dbraw/zinc/14/62/17/528146217.db2.gz HRVZBQLIQSPVAU-RUDMXATFSA-N 0 0 384.260 3.599 40 10 GHCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(C)=C2C(=O)OC)cc1 ZINC000408797773 528369458 /nfs/dbraw/zinc/36/94/58/528369458.db2.gz SXTZKFMXUGXTND-ZHZULCJRSA-N 0 0 393.439 3.971 40 10 GHCBRN Cc1c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)C(F)(F)F)cnn1C ZINC000035678533 570312887 /nfs/dbraw/zinc/31/28/87/570312887.db2.gz HBIAWMHHFVSPED-MDWZMJQESA-N 0 0 384.308 3.712 40 10 GHCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(O)cc1 ZINC000222741338 570423450 /nfs/dbraw/zinc/42/34/50/570423450.db2.gz RJUKDQUEUSVZMB-UXHICEINSA-N 0 0 378.501 3.797 40 10 GHCBRN CCc1cc(S(=O)(=O)NCc2ccc(N(CC)CC)cc2)ccc1OC ZINC000225565049 570588969 /nfs/dbraw/zinc/58/89/69/570588969.db2.gz UEVGLYJJPCFGPM-UHFFFAOYSA-N 0 0 376.522 3.582 40 10 GHCBRN Cc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 ZINC000004891434 570644089 /nfs/dbraw/zinc/64/40/89/570644089.db2.gz SCDNKBFAOLWFHL-UHFFFAOYSA-N 0 0 386.363 3.931 40 10 GHCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(O)c(Br)c1 ZINC000408936592 570687504 /nfs/dbraw/zinc/68/75/04/570687504.db2.gz GVIOOPDQRAQSOL-NTEUORMPSA-N 0 0 385.217 3.597 40 10 GHCBRN COc1ccc(-c2n[nH]c(N=Nc3nc(-c4ccc(OC)cc4)n[nH]3)n2)cc1 ZINC000102417926 570719738 /nfs/dbraw/zinc/71/97/38/570719738.db2.gz DMAPXBCLYGPSGA-OCEACIFDSA-N 0 0 376.380 3.689 40 10 GHCBRN COc1ccc(C2=C/C(=C\c3ccc(I)o3)C(=O)O2)cc1 ZINC000006627045 570747808 /nfs/dbraw/zinc/74/78/08/570747808.db2.gz GKHUHVRMDQPMTO-DHZHZOJOSA-N 0 0 394.164 3.874 40 10 GHCBRN CC1=NN(c2cccc(Br)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000013603113 570762018 /nfs/dbraw/zinc/76/20/18/570762018.db2.gz GPEGFFXILIQUNQ-CHHVJCJISA-N 0 0 385.217 3.984 40 10 GHCBRN COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cccc4ccccc43)CC2)cc1 ZINC000013709136 570777183 /nfs/dbraw/zinc/77/71/83/570777183.db2.gz XFXDFZMYPBEZQG-GOSISDBHSA-N 0 0 390.483 3.965 40 10 GHCBRN COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1cc(C)cc(C)c1 ZINC000017077200 570916478 /nfs/dbraw/zinc/91/64/78/570916478.db2.gz YDKLSKFNHKBTGP-PGMHBOJBSA-N 0 0 377.444 3.955 40 10 GHCBRN CCOc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1 ZINC000260572623 570920383 /nfs/dbraw/zinc/92/03/83/570920383.db2.gz JZUFUTCRRYLJCP-KRWDZBQOSA-N 0 0 388.533 3.800 40 10 GHCBRN O=C1N=C(Nc2ccccc2)SC1=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000066255796 837017802 /nfs/dbraw/zinc/01/78/02/837017802.db2.gz DQSOFPQBVFPNCE-AQTBWJFISA-N 0 0 383.448 3.745 40 10 GHCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1ccc(N(C)C)cc1 ZINC000006570062 856543995 /nfs/dbraw/zinc/54/39/95/856543995.db2.gz DYVMPPCPEBUWBK-FQEVSTJZSA-N 0 0 379.460 3.861 40 10 GHCBRN O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1c1ccccc1 ZINC000004106888 204027674 /nfs/dbraw/zinc/02/76/74/204027674.db2.gz NSXHZFZGHPTBKF-JXAWBTAJSA-N 0 0 382.510 3.929 40 10 GHCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)N2CCCCC2)C1=O ZINC000004745627 204073574 /nfs/dbraw/zinc/07/35/74/204073574.db2.gz QIQBVZHADIMXBB-GXDIDPINSA-N 0 0 386.542 3.847 40 10 GHCBRN COc1ccc(N2CCN(C(=O)COc3cc(C)ccc3C(C)C)CC2)cc1 ZINC000006125040 204166100 /nfs/dbraw/zinc/16/61/00/204166100.db2.gz IJAKIOPZLDCZNS-UHFFFAOYSA-N 0 0 382.504 3.855 40 10 GHCBRN COc1ccc(OC)c(C=C2SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)c1 ZINC000005372607 204129209 /nfs/dbraw/zinc/12/92/09/204129209.db2.gz ZITXCSAYAFDSHC-WQRHYEAKSA-N 0 0 397.456 3.745 40 10 GHCBRN CCOC(=O)c1cccc(NC(=S)NCCCN2CCc3ccccc32)c1C ZINC000225560542 206057296 /nfs/dbraw/zinc/05/72/96/206057296.db2.gz FMGTVGDLNGYZNS-UHFFFAOYSA-N 0 0 397.544 3.911 40 10 GHCBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCC ZINC000041078360 206195479 /nfs/dbraw/zinc/19/54/79/206195479.db2.gz RIWWELFIDSGQPZ-KZUXQMQWSA-N 0 0 375.812 3.588 40 10 GHCBRN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/NC(=S)NCc1ccccc1 ZINC000101148302 206217096 /nfs/dbraw/zinc/21/70/96/206217096.db2.gz RNBZTJRKRJNIFJ-SFQUDFHCSA-N 0 0 384.892 3.611 40 10 GHCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1C ZINC000409178112 533472813 /nfs/dbraw/zinc/47/28/13/533472813.db2.gz IQKPGYCVVVKRKG-LFIBNONCSA-N 0 0 384.482 3.550 40 10 GHCBRN Cc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)n1 ZINC000409334304 534574900 /nfs/dbraw/zinc/57/49/00/534574900.db2.gz WXOMQIZJJHWPAD-NTEUORMPSA-N 0 0 389.889 3.590 40 10 GHCBRN CCn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)C(F)(F)F)cn1 ZINC000035678228 570312894 /nfs/dbraw/zinc/31/28/94/570312894.db2.gz PKPYQGFFUQAILB-MDWZMJQESA-N 0 0 384.308 3.887 40 10 GHCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 ZINC000223033257 570438624 /nfs/dbraw/zinc/43/86/24/570438624.db2.gz GQZWWWHCJIREGW-LEWJYISDSA-N 0 0 392.528 3.800 40 10 GHCBRN O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000058823021 570648790 /nfs/dbraw/zinc/64/87/90/570648790.db2.gz QJETYFLQRDFQIY-UHFFFAOYSA-N 0 0 390.823 3.813 40 10 GHCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 ZINC000059435670 570653923 /nfs/dbraw/zinc/65/39/23/570653923.db2.gz SFSCCKBQKBOMMH-PDGQHHTCSA-N 0 0 393.439 3.577 40 10 GHCBRN CC(C)(C)c1ccccc1OCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054284921 570677211 /nfs/dbraw/zinc/67/72/11/570677211.db2.gz XJTSUEREPQXCBZ-UHFFFAOYSA-N 0 0 382.504 3.516 40 10 GHCBRN O=C(CN1c2cccc3cccc(c23)C1=O)NCc1ccc(N2CCCC2)cc1 ZINC000013675394 570771674 /nfs/dbraw/zinc/77/16/74/570771674.db2.gz KKWUDAAESNZRLL-UHFFFAOYSA-N 0 0 385.467 3.717 40 10 GHCBRN C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)no1)c1ccc(N2CCOCC2)cc1 ZINC000019659400 571024881 /nfs/dbraw/zinc/02/48/81/571024881.db2.gz OMZBZVNBQPXEII-HNNXBMFYSA-N 0 0 395.434 3.808 40 10 GHCBRN CC(C)(C)c1ccc(C(=O)NN2C(=O)/C(=C/c3ccc[nH]3)SC2=S)cc1 ZINC000005552789 204140157 /nfs/dbraw/zinc/14/01/57/204140157.db2.gz OYLLFBJBBLSJJW-PTNGSMBKSA-N 0 0 385.514 3.858 40 10 GHCBRN CN(C)c1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(F)cc3F)c[nH]2)cc1 ZINC000225400064 206046447 /nfs/dbraw/zinc/04/64/47/206046447.db2.gz HJESDRYQJILAJC-NRFANRHFSA-N 0 0 398.457 3.994 40 10 biogenic,in-vitro GHCBRN CCN(CCNC(=S)Nc1cccc(C(=O)OC)c1C)c1ccc(C)cc1 ZINC000225793485 206077872 /nfs/dbraw/zinc/07/78/72/206077872.db2.gz FJQYSLYNRZUJIH-UHFFFAOYSA-N 0 0 385.533 3.903 40 10 GHCBRN CCOc1ccc2ccc(OCC)c(C=C3C(=O)NC(=S)N(C)C3=O)c2c1 ZINC000033311666 206095869 /nfs/dbraw/zinc/09/58/69/206095869.db2.gz DRHNGXDZWNGQKI-WJDWOHSUSA-N 0 0 384.457 3.734 40 10 GHCBRN CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])o1 ZINC000101525459 206217285 /nfs/dbraw/zinc/21/72/85/206217285.db2.gz RYRKVBAKKGJKRF-MDWZMJQESA-N 0 0 376.166 3.756 40 10 GHCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000408996602 533267242 /nfs/dbraw/zinc/26/72/42/533267242.db2.gz JBZHJOFOTKVTPN-PDGQHHTCSA-N 0 0 378.384 3.780 40 10 GHCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cccc(OC)c1OC ZINC000408788336 533267720 /nfs/dbraw/zinc/26/77/20/533267720.db2.gz JPUPMDREYOIGBS-AQTBWJFISA-N 0 0 393.439 3.889 40 10 GHCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(O)c(OC)c1 ZINC000409023342 533266583 /nfs/dbraw/zinc/26/65/83/533266583.db2.gz KNLLAXIZEHOVIB-WQRHYEAKSA-N 0 0 393.439 3.895 40 10 GHCBRN COC(=O)COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000409345341 533554763 /nfs/dbraw/zinc/55/47/63/533554763.db2.gz LFVMHRKCROJJHO-LFIBNONCSA-N 0 0 391.514 3.772 40 10 GHCBRN CC1=CC(C)(C)N(C(C)C)c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc21 ZINC000223491887 136205826 /nfs/dbraw/zinc/20/58/26/136205826.db2.gz RFGCJLWCLZQRTM-UHFFFAOYSA-N 0 0 397.544 3.696 40 10 GHCBRN Cc1ccc(C(=O)N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 ZINC000408719665 534260642 /nfs/dbraw/zinc/26/06/42/534260642.db2.gz OWRQYAWSGJLNSE-XNTDXEJSSA-N 0 0 384.438 3.945 40 10 GHCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCc1cccnc1 ZINC000103918105 528065144 /nfs/dbraw/zinc/06/51/44/528065144.db2.gz QJCFPAIUKQMIPH-RGEXLXHISA-N 0 0 379.420 3.556 40 10 GHCBRN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000020460367 570260763 /nfs/dbraw/zinc/26/07/63/570260763.db2.gz YYIDAQNZPQUQPW-NRFANRHFSA-N 0 0 382.504 3.614 40 10 GHCBRN O=C(NN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S)c1ccc(Cl)cc1 ZINC000040940239 570270454 /nfs/dbraw/zinc/27/04/54/570270454.db2.gz YQIXXLZVYQXQKZ-NTEUORMPSA-N 0 0 390.873 3.592 40 10 GHCBRN COc1ccc(C[C@@H]2SC(=S)N(Cc3cccnc3)C2=O)cc1Cl ZINC000006953625 570398550 /nfs/dbraw/zinc/39/85/50/570398550.db2.gz VYDWIFTWWUBZNH-HNNXBMFYSA-N 0 0 378.906 3.715 40 10 GHCBRN COc1ccc(Br)cc1C=C1C(=O)OC2(CCCCC2)OC1=O ZINC000058865815 570648160 /nfs/dbraw/zinc/64/81/60/570648160.db2.gz RJZZETZFURHTDV-UHFFFAOYSA-N 0 0 381.222 3.602 40 10 GHCBRN COc1ccccc1NC1=NC(=O)C(=Cc2ccc(OC(C)=O)c(OC)c2)S1 ZINC000034828004 856548630 /nfs/dbraw/zinc/54/86/30/856548630.db2.gz RDJIZZCUXLXGCO-WQRHYEAKSA-N 0 0 398.440 3.712 40 10 GHCBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O ZINC000409162223 231172526 /nfs/dbraw/zinc/17/25/26/231172526.db2.gz YQEXYSZXRIZNKN-LDADJPATSA-N 0 0 395.484 3.736 40 10 GHCBRN Oc1ccc(Cl)cc1Nc1cc(-c2ccncc2)nc(NC2CCCC2)n1 ZINC000329055433 203771666 /nfs/dbraw/zinc/77/16/66/203771666.db2.gz VOCANJVHNDLWGM-UHFFFAOYSA-N 0 0 381.867 3.840 40 10 GHCBRN O=C(NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)C1CCCCC1 ZINC000005552687 204138359 /nfs/dbraw/zinc/13/83/59/204138359.db2.gz CUVBTNHRLTZFRB-YBEGLDIGSA-N 0 0 385.514 3.981 40 10 GHCBRN CN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)NC1=S ZINC000006578472 204184755 /nfs/dbraw/zinc/18/47/55/204184755.db2.gz SYOBQKKXFWRMMM-GDNBJRDFSA-N 0 0 388.901 3.748 40 10 GHCBRN COc1ccc(N2CCN(C(=O)[C@H](C)Oc3cccc4ccccc43)CC2)cc1 ZINC000013709138 204505663 /nfs/dbraw/zinc/50/56/63/204505663.db2.gz XFXDFZMYPBEZQG-SFHVURJKSA-N 0 0 390.483 3.965 40 10 GHCBRN CCOC(=O)c1cccc(NC(=S)NCCN(C)c2ccc(C)cc2)c1C ZINC000225796249 206077735 /nfs/dbraw/zinc/07/77/35/206077735.db2.gz BRWPSCWVUXVUMB-UHFFFAOYSA-N 0 0 385.533 3.903 40 10 GHCBRN CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000225838908 206080996 /nfs/dbraw/zinc/08/09/96/206080996.db2.gz HIDYHUMCXHOGKI-INIZCTEOSA-N 0 0 385.533 3.970 40 10 GHCBRN COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S ZINC000001281917 206211718 /nfs/dbraw/zinc/21/17/18/206211718.db2.gz QTBVGPCNJBUYRR-BOPFTXTBSA-N 0 0 399.493 3.640 40 10 GHCBRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N3CCOCC3)c(F)c2)S1 ZINC000222596852 136204921 /nfs/dbraw/zinc/20/49/21/136204921.db2.gz QSKQZWHMIVMZQO-XMCHAPAWSA-N 0 0 398.507 3.647 40 10 GHCBRN COC(=O)c1ccc(-n2c(C)cc(C=C3SC(=O)NC3=O)c2C)cc1Cl ZINC000408820302 533952203 /nfs/dbraw/zinc/95/22/03/533952203.db2.gz VIHCQKHINOYKHE-CHHVJCJISA-N 0 0 390.848 3.858 40 10 GHCBRN CCN(CC)c1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(OC)c1 ZINC000409233451 528293477 /nfs/dbraw/zinc/29/34/77/528293477.db2.gz SGPFFZRISQYZAG-DEDYPNTBSA-N 0 0 393.487 3.943 40 10 GHCBRN CCCOCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1OC ZINC000224417890 535236087 /nfs/dbraw/zinc/23/60/87/535236087.db2.gz XVWFBARVNDOKHV-UHFFFAOYSA-N 0 0 398.503 3.593 40 10 GHCBRN O=C(NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)c1ccc(F)cc1 ZINC000001257916 570259700 /nfs/dbraw/zinc/25/97/00/570259700.db2.gz UPYAFJAAGLQDTK-NTEUORMPSA-N 0 0 376.409 3.511 40 10 GHCBRN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(OC)c1O ZINC000033314205 570524626 /nfs/dbraw/zinc/52/46/26/570524626.db2.gz XLPYZMNYHCKQDW-GDNBJRDFSA-N 0 0 379.503 3.943 40 10 GHCBRN CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000013603098 570861327 /nfs/dbraw/zinc/86/13/27/570861327.db2.gz IEPBLSKNHBUBGH-NVNXTCNLSA-N 0 0 385.217 3.984 40 10 GHCBRN CCOC(=O)c1cc(Br)cc(Br)c1/N=N/N(C)C ZINC000017820125 570949083 /nfs/dbraw/zinc/94/90/83/570949083.db2.gz XHJSQIPQGRIXKF-CCEZHUSRSA-N 0 0 379.052 3.949 40 10 GHCBRN CCCN(CCC)C(=O)CCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S ZINC000054360749 209112159 /nfs/dbraw/zinc/11/21/59/209112159.db2.gz TWOKPSUXVFEDDY-SSZFMOIBSA-N 0 0 392.546 3.632 40 10 GHCBRN Cn1cc(/C=C2/SC(NC(=O)c3ccc(F)cc3)=NC2=O)c2ccccc21 ZINC000005374385 206608741 /nfs/dbraw/zinc/60/87/41/206608741.db2.gz CSYLHGYMASOKCC-LICLKQGHSA-N 0 0 379.416 3.718 40 10 GHCBRN COc1c(C(C)C)c(O)c(O)c2c1[C@@H](OC)[C@H]1OC(=O)[C@@]23CCCC(C)(C)[C@@H]13 ZINC000014688370 207026176 /nfs/dbraw/zinc/02/61/76/207026176.db2.gz DHNUPRDARUHAJK-YXTQBTIXSA-N 0 0 390.476 3.920 40 10 endogenous,in-man GHCBRN COc1cc([N+](=O)[O-])ccc1N=Cc1c(C)[n-]n(-c2ccc(Cl)cc2)c1=O ZINC000100296116 208374736 /nfs/dbraw/zinc/37/47/36/208374736.db2.gz JVVHPNKRXXLKBZ-XNTDXEJSSA-N 0 0 386.795 3.975 40 10 GHCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(C)cn1 ZINC000222748403 208882894 /nfs/dbraw/zinc/88/28/94/208882894.db2.gz USHSVLMXKDTNDK-UXHICEINSA-N 0 0 377.517 3.795 40 10 GHCBRN CCOc1ccccc1NC(=S)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000225838017 208981116 /nfs/dbraw/zinc/98/11/16/208981116.db2.gz DIIUCCGJBAJHHE-INIZCTEOSA-N 0 0 385.533 3.970 40 10 GHCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C(=N)N2O1 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/nfs/dbraw/zinc/33/34/75/207333475.db2.gz NMIGTDJTVRXJFZ-SFHVURJKSA-N 0 0 385.533 3.834 40 10 GHCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccccc1 ZINC000409064586 533267512 /nfs/dbraw/zinc/26/75/12/533267512.db2.gz DLFBWYXVRCGVOD-ATVHPVEESA-N 0 0 379.412 3.581 40 10 GHCBRN CCc1ccc(O[C@H](CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000222878214 136205187 /nfs/dbraw/zinc/20/51/87/136205187.db2.gz LQIBRPYAZCBLBW-JOCHJYFZSA-N 0 0 382.504 3.764 40 10 GHCBRN CC(NC[C@H]1CCCO1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000112120127 527540055 /nfs/dbraw/zinc/54/00/55/527540055.db2.gz MITOPCRTFFUUAJ-GCFJHJGGSA-N 0 0 379.435 3.619 40 10 GHCBRN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)NCc1ccc2c(c1)OCO2 ZINC000103918109 528067060 /nfs/dbraw/zinc/06/70/60/528067060.db2.gz ZCDNYTMNQRYHBK-QNGOZBTKSA-N 0 0 377.444 3.982 40 10 GHCBRN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)C1=CNc1ccc2[nH]c(=O)[nH]c2c1 ZINC000408527804 528150653 /nfs/dbraw/zinc/15/06/53/528150653.db2.gz GMHZPAWYLQGNLG-ZROIWOOFSA-N 0 0 381.823 3.949 40 10 GHCBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(O)c1 ZINC000014415036 528616376 /nfs/dbraw/zinc/61/63/76/528616376.db2.gz NPZDPANMCFWNEA-HKWRFOASSA-N 0 0 377.440 3.698 40 10 GHCBRN CCN1C(=O)C(=Cc2ccc3c(c2)[C@H](C)CC(C)(C)N3C)C(=O)N(CC)C1=S ZINC000113775757 535424971 /nfs/dbraw/zinc/42/49/71/535424971.db2.gz FXKNDGDJWSDFJV-CQSZACIVSA-N 0 0 399.560 3.788 40 10 GHCBRN CCN1c2cc(C)c(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000113790442 535785174 /nfs/dbraw/zinc/78/51/74/535785174.db2.gz AMOPHHONDKLJQP-AWEZNQCLSA-N 0 0 383.492 3.541 40 10 GHCBRN Cc1occc1C(=O)NN1C(=O)/C(=C/c2ccc3ncccc3c2)SC1=S ZINC000102735745 570291726 /nfs/dbraw/zinc/29/17/26/570291726.db2.gz GXIJDTHRAYOJNT-YBEGLDIGSA-N 0 0 395.465 3.682 40 10 GHCBRN CC[C@@H]1CCCCN1C(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000004745373 570401838 /nfs/dbraw/zinc/40/18/38/570401838.db2.gz CYNITCHGIRLGFU-HLVNSREUSA-N 0 0 380.560 3.740 40 10 GHCBRN COc1ccc(N=Nc2c(N)n[nH]c2NC(=S)NC(=O)c2ccccc2)cc1 ZINC000005639787 570449738 /nfs/dbraw/zinc/44/97/38/570449738.db2.gz CVUNCCVIHMLWIN-GHVJWSGMSA-N 0 0 395.448 3.543 40 10 GHCBRN COc1ccc(/C=C2/C(=O)N(C(=O)c3ccc(Cl)cc3)N=C2C)cc1OC ZINC000005842783 570458688 /nfs/dbraw/zinc/45/86/88/570458688.db2.gz VDOJIDANOLMWHT-MHWRWJLKSA-N 0 0 384.819 3.799 40 10 GHCBRN CCN(CCNC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(C)cc1 ZINC000225794396 570617990 /nfs/dbraw/zinc/61/79/90/570617990.db2.gz CSQRUEMWLWBKIB-UHFFFAOYSA-N 0 0 384.549 3.510 40 10 GHCBRN CN1C(=O)C(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)NC1=S ZINC000059182153 570651185 /nfs/dbraw/zinc/65/11/85/570651185.db2.gz HJGKEEVWQGGOTR-LICLKQGHSA-N 0 0 393.443 3.926 40 10 GHCBRN Cc1cc(N2CCCC2)c(F)cc1/C=C1\NC(=O)N(Cc2ccccc2)C1=O ZINC000033670347 856547689 /nfs/dbraw/zinc/54/76/89/856547689.db2.gz YRKBWMJXFGNZLW-UYRXBGFRSA-N 0 0 379.435 3.827 40 10 GHCBRN COc1cc(Cl)c(C[C@H]2SC(=S)N(Cc3ccco3)C2=O)cc1OC ZINC000008106916 921224195 /nfs/dbraw/zinc/22/41/95/921224195.db2.gz XZBQHWNWZZCVDP-OAHLLOKOSA-N 0 0 397.905 3.922 40 10 GHCBRN COc1ccc(C[C@H]2SC(=S)N(Cc3ccco3)C2=O)c(OC)c1C ZINC000008276443 921633916 /nfs/dbraw/zinc/63/39/16/921633916.db2.gz BRLCOYNNOKHXDP-OAHLLOKOSA-N 0 0 377.487 3.577 40 10 GHCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4)cc3)C(=N)N2O1 ZINC000041078464 212043183 /nfs/dbraw/zinc/04/31/83/212043183.db2.gz SIRKQKRHQBOUCC-QLDKJHNESA-N 0 0 389.411 3.595 40 10 GHCBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000408584080 533267319 /nfs/dbraw/zinc/26/73/19/533267319.db2.gz LMERQSAQEAIYCR-BOPFTXTBSA-N 0 0 382.347 3.611 40 10 GHCBRN CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000044883750 132420231 /nfs/dbraw/zinc/42/02/31/132420231.db2.gz JAVMTQABYOGJHV-IBGZPJMESA-N 0 0 388.895 3.650 40 10 GHCBRN Cc1cc2c(cc1C=C1C(=O)N(C)C(=O)N(C)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223598785 136205753 /nfs/dbraw/zinc/20/57/53/136205753.db2.gz WJRGJTFCJCHAGN-HNNXBMFYSA-N 0 0 397.519 3.929 40 10 GHCBRN O=C1[C@@H](Cc2ccc3c(c2)OCO3)SC(=S)N1Cc1ccc(F)cc1 ZINC000409160858 534825455 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O=C1N/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccccc1F ZINC000006345869 570477436 /nfs/dbraw/zinc/47/74/36/570477436.db2.gz VRQOIAPWZZTMMT-XSFVSMFZSA-N 0 0 379.435 3.909 40 10 GHCBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)o1 ZINC000000858906 570497562 /nfs/dbraw/zinc/49/75/62/570497562.db2.gz CVNOAUGSNWTLCE-UHFFFAOYSA-N 0 0 399.355 3.617 40 10 GHCBRN COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 ZINC000004839231 570633758 /nfs/dbraw/zinc/63/37/58/570633758.db2.gz BHUABTMOOHVZEO-GZTJUZNOSA-N 0 0 398.509 3.844 40 10 GHCBRN CC[C@H](Oc1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000044948590 570645322 /nfs/dbraw/zinc/64/53/22/570645322.db2.gz SMHGBDPXNZLMDX-IBGZPJMESA-N 0 0 388.895 3.855 40 10 GHCBRN Cc1cccc(NC(=O)COc2ccc(C=C3SC(=S)NC3=O)cc2)c1 ZINC000014903964 570900146 /nfs/dbraw/zinc/90/01/46/570900146.db2.gz KJBQUWLJLIQFPX-YBEGLDIGSA-N 0 0 384.482 3.501 40 10 GHCBRN Cc1ccc(NC2=NC(=O)C(=Cc3cn(CC(N)=O)c4ccccc34)S2)cc1 ZINC000033660615 856547898 /nfs/dbraw/zinc/54/78/98/856547898.db2.gz RIDHYNYMSUVKTD-ZDLGFXPLSA-N 0 0 390.468 3.517 40 10 GHCBRN CCOc1ccc(/C=C2\C(=O)N(C3CCCC3)C(C)=C2C(=O)OC)cc1OC ZINC000033595930 856548201 /nfs/dbraw/zinc/54/82/01/856548201.db2.gz ZGKLSDGCMQMJJN-ATVHPVEESA-N 0 0 385.460 3.709 40 10 GHCBRN COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1cccc(C)c1 ZINC000107607057 856553854 /nfs/dbraw/zinc/55/38/54/856553854.db2.gz QEWXQSZMFGYEQR-UYRXBGFRSA-N 0 0 391.423 3.659 40 10 GHCBRN Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000007378468 919153284 /nfs/dbraw/zinc/15/32/84/919153284.db2.gz BPXOFAPTPOUASK-UHFFFAOYSA-N 0 0 393.399 3.798 40 10 GHCBRN O=C1/C(=C\c2ccc([N+](=O)[O-])o2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000113834456 231022193 /nfs/dbraw/zinc/02/21/93/231022193.db2.gz DMFOKSLDULPPGA-YRNVUSSQSA-N 0 0 377.359 3.502 40 10 GHCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)n(C)c(=O)n4C)SC2=S)c1 ZINC000409343097 231192894 /nfs/dbraw/zinc/19/28/94/231192894.db2.gz FXVHQRJOEUVWAA-BOPFTXTBSA-N 0 0 395.509 3.591 40 10 GHCBRN CN1C(=O)/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)SC1=S ZINC000409328495 530039843 /nfs/dbraw/zinc/03/98/43/530039843.db2.gz WLXJIDNKBDKWBI-WDZFZDKYSA-N 0 0 381.841 3.892 40 10 GHCBRN CCN(CC)c1ccc(/C=C2\NC(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000009189360 209816986 /nfs/dbraw/zinc/81/69/86/209816986.db2.gz HQBVKAVWPTZFPJ-RGEXLXHISA-N 0 0 381.501 3.804 40 10 GHCBRN O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S ZINC000005551875 209601509 /nfs/dbraw/zinc/60/15/09/209601509.db2.gz LXMOSPYKLCSGII-GDNBJRDFSA-N 0 0 388.901 3.815 40 10 GHCBRN CC(=O)O[C@H](C)c1csc2c1C(=O)c1cc([C@H](C)OC(C)=O)sc1C2=O ZINC000001652351 209335488 /nfs/dbraw/zinc/33/54/88/209335488.db2.gz JFEMGTTXNHRUOR-SFYZADRCSA-N 0 0 392.454 3.833 40 10 GHCBRN CCOC(=O)[C@H](C(C)=O)C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000001597166 209334078 /nfs/dbraw/zinc/33/40/78/209334078.db2.gz VYYVSMSLSURWGL-OAQYLSRUSA-N 0 0 382.504 3.719 40 10 GHCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4F)cc3)C(=N)N2O1 ZINC000041078320 212043102 /nfs/dbraw/zinc/04/31/02/212043102.db2.gz AXPPEMALYMSASD-DJCXZETLSA-N 0 0 377.375 3.855 40 10 GHCBRN Cc1cc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)ccc1F ZINC000225608741 211909480 /nfs/dbraw/zinc/90/94/80/211909480.db2.gz AKWMRWUOOQIVNC-OAHLLOKOSA-N 0 0 376.497 3.849 40 10 GHCBRN Cc1cc(N2CCOCC2)ccc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222597064 136204886 /nfs/dbraw/zinc/20/48/86/136204886.db2.gz YKFXZAXSVNLPJE-DQLDELGASA-N 0 0 394.544 3.816 40 10 GHCBRN C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N3CCOCC3)c(F)c2)S1 ZINC000222596910 136204901 /nfs/dbraw/zinc/20/49/01/136204901.db2.gz QSKQZWHMIVMZQO-KPOBHBOGSA-N 0 0 398.507 3.647 40 10 GHCBRN COC(=O)c1ccc(NC=C2C(=O)N(c3ccc(Cl)c(OC)c3)N=C2C)cc1 ZINC000408534309 534184912 /nfs/dbraw/zinc/18/49/12/534184912.db2.gz QFYYSIHUQHANNJ-WJDWOHSUSA-N 0 0 399.834 3.854 40 10 GHCBRN CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cccc(Cl)c1Cl ZINC000408770043 528615763 /nfs/dbraw/zinc/61/57/63/528615763.db2.gz RZZJVSIFXMDKMB-RAXLEYEMSA-N 0 0 384.259 3.703 40 10 GHCBRN CCOC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000408831721 528616107 /nfs/dbraw/zinc/61/61/07/528616107.db2.gz HFNQQRMQFFMIOU-AQTBWJFISA-N 0 0 384.432 3.990 40 10 GHCBRN CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000113971355 536045825 /nfs/dbraw/zinc/04/58/25/536045825.db2.gz ILTGZTITXWTRDC-NRFANRHFSA-N 0 0 382.504 3.614 40 10 GHCBRN Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(N(C)C)cc3)n2)cc1F ZINC000015674308 560230894 /nfs/dbraw/zinc/23/08/94/560230894.db2.gz IRGNOLSWOVIJLU-QUCCMNQESA-N 0 0 396.466 3.558 40 10 biogenic,in-vitro GHCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(C)cn1 ZINC000222748523 570423704 /nfs/dbraw/zinc/42/37/04/570423704.db2.gz USHSVLMXKDTNDK-PMACEKPBSA-N 0 0 377.517 3.795 40 10 GHCBRN CCN(Cc1ccccc1)C(=O)CN1C(=O)/C(=C\c2ccccc2)SC1=S ZINC000005370675 570435010 /nfs/dbraw/zinc/43/50/10/570435010.db2.gz OZXNYSAZVSKLII-QGOAFFKASA-N 0 0 396.537 3.937 40 10 GHCBRN Cc1ccc(/C=C2\SC(N3CCN(c4ccc(F)cc4)CC3)=NC2=O)cc1 ZINC000006331747 570477304 /nfs/dbraw/zinc/47/73/04/570477304.db2.gz LAVWSSCQOABWJL-RGEXLXHISA-N 0 0 381.476 3.927 40 10 GHCBRN Cc1cccc([C@H]2C[C@]3(CC(C)(C)NC(=S)N3)Oc3c(O)c(O)ccc32)c1 ZINC000000881935 570508050 /nfs/dbraw/zinc/50/80/50/570508050.db2.gz QXQIHBVWHIABHR-QVKFZJNVSA-N 0 0 384.501 3.663 40 10 GHCBRN COc1ccc(N2CCN(C(=S)c3ccc(Br)cc3)CC2)cc1 ZINC000009188031 570550938 /nfs/dbraw/zinc/55/09/38/570550938.db2.gz NLPOVNYKRDCHJK-UHFFFAOYSA-N 0 0 391.334 3.955 40 10 GHCBRN CCOC(=O)c1ccc(NC(=S)NCCCN2CCc3ccccc32)c(C)c1 ZINC000225560639 570588457 /nfs/dbraw/zinc/58/84/57/570588457.db2.gz KHPQVCXVYHFXTQ-UHFFFAOYSA-N 0 0 397.544 3.911 40 10 GHCBRN O=C1S/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccccc1F ZINC000033645599 570646162 /nfs/dbraw/zinc/64/61/62/570646162.db2.gz MIUHQMHQFPCGFF-UYRXBGFRSA-N 0 0 398.459 3.899 40 10 GHCBRN CCOC(=O)c1cccc(-c2ccc(C=C3C(=O)OC4(CCCC4)OC3=O)o2)c1 ZINC000058865862 570648348 /nfs/dbraw/zinc/64/83/48/570648348.db2.gz RZSMKEZMZNDAJS-UHFFFAOYSA-N 0 0 396.395 3.877 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Cc1cccc(NC(=O)COc2ccccc2C=C2SC(=S)NC2=O)c1 ZINC000015056147 570901568 /nfs/dbraw/zinc/90/15/68/570901568.db2.gz MJJNDKNRZWHRIT-YBEGLDIGSA-N 0 0 384.482 3.501 40 10 GHCBRN COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NC1CCCCCC1 ZINC000017081715 570915989 /nfs/dbraw/zinc/91/59/89/570915989.db2.gz VGFVYMAGZXCLSN-QNGOZBTKSA-N 0 0 399.491 3.547 40 10 GHCBRN COc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1F ZINC000260572559 570920260 /nfs/dbraw/zinc/92/02/60/570920260.db2.gz CEYQYMZLRHPKRE-HNNXBMFYSA-N 0 0 392.496 3.549 40 10 GHCBRN Cc1cc(N2CCCCC2)ccc1/C=c1\sc2nc3ccccc3n2c1=O ZINC000106997607 231020024 /nfs/dbraw/zinc/02/00/24/231020024.db2.gz OIESCPLCYZDORH-ZHZULCJRSA-N 0 0 375.497 3.756 40 10 GHCBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O ZINC000409197638 231178370 /nfs/dbraw/zinc/17/83/70/231178370.db2.gz LAVZDOJCQHJTMG-OQLLNIDSSA-N 0 0 389.458 3.559 40 10 GHCBRN O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(F)c(Oc2ccccc2)c1 ZINC000006890057 209702936 /nfs/dbraw/zinc/70/29/36/209702936.db2.gz 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CCOc1ccc(C(=O)NCCCN(C)c2ccc(OC)cc2)cc1OCC ZINC000225067067 570546523 /nfs/dbraw/zinc/54/65/23/570546523.db2.gz UHBYCCVGIGJYMX-UHFFFAOYSA-N 0 0 386.492 3.749 40 10 GHCBRN COC(=O)c1ccc(C)c(NC(=S)NCCCN2CCc3ccccc32)c1 ZINC000225559839 570588318 /nfs/dbraw/zinc/58/83/18/570588318.db2.gz LSOVVGXKNINHKZ-UHFFFAOYSA-N 0 0 383.517 3.521 40 10 GHCBRN CCOC(=O)c1cccc(NC(=S)NCCCN2CCCc3ccccc32)c1 ZINC000225746361 570612271 /nfs/dbraw/zinc/61/22/71/570612271.db2.gz BVIDIKKFSOQLER-UHFFFAOYSA-N 0 0 397.544 3.993 40 10 GHCBRN COc1ccc(NC(=S)NCCN(C)c2ccc(C)cc2)c2cccnc12 ZINC000225797107 570617994 /nfs/dbraw/zinc/61/79/94/570617994.db2.gz VPQLKPJNMMDJAD-UHFFFAOYSA-N 0 0 380.517 3.975 40 10 GHCBRN O=S(=O)(c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1)N1CCOCC1 ZINC000005008402 856540519 /nfs/dbraw/zinc/54/05/19/856540519.db2.gz SNPRHALZSQASCH-VCOUNFBDSA-N 0 0 396.512 3.534 40 10 GHCBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2)C1=O ZINC000205757790 856561766 /nfs/dbraw/zinc/56/17/66/856561766.db2.gz PXLIYBQSDZHOPY-SFQUDFHCSA-N 0 0 388.489 3.665 40 10 GHCBRN COc1cc(N2CCOCC2)c(OC)cc1CN1CCc2sccc2[C@@H]1C ZINC000019498349 210251847 /nfs/dbraw/zinc/25/18/47/210251847.db2.gz APWFJKWCJUZFIR-HNNXBMFYSA-N 0 0 388.533 3.721 40 10 GHCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1O ZINC000015008433 210142446 /nfs/dbraw/zinc/14/24/46/210142446.db2.gz WZAYNTUUTRVDBT-GZTJUZNOSA-N 0 0 386.498 3.873 40 10 GHCBRN Cc1ccc(O)c(NC(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)c1 ZINC000005374799 209590773 /nfs/dbraw/zinc/59/07/73/209590773.db2.gz UTGCXRPKRQOEBU-MHWRWJLKSA-N 0 0 384.482 3.784 40 10 GHCBRN CC(=O)c1ccc(NC2=NC(=O)C(=Cc3nc4ccccc4n3C)S2)cc1 ZINC000005236026 209581533 /nfs/dbraw/zinc/58/15/33/209581533.db2.gz GLKKQBZPBLTWIO-GZTJUZNOSA-N 0 0 376.441 3.858 40 10 GHCBRN COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000001238458 209317572 /nfs/dbraw/zinc/31/75/72/209317572.db2.gz NADLFIMNINNNNG-BOPFTXTBSA-N 0 0 399.493 3.640 40 10 GHCBRN Cc1cc(NC(=O)Cc2ccc(N)cc2)c(C)cc1I ZINC000226269179 209188383 /nfs/dbraw/zinc/18/83/83/209188383.db2.gz QORURWBUBGDCBV-UHFFFAOYSA-N 0 0 380.229 3.671 40 10 GHCBRN O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)OC1CCCCC1 ZINC000001239049 212061075 /nfs/dbraw/zinc/06/10/75/212061075.db2.gz LPQKQWLCHOBYTO-XNTDXEJSSA-N 0 0 379.478 3.903 40 10 GHCBRN CC1=CC2=NC(=O)/C(=C/c3cccn3CCOc3ccc(C)c(C)c3)C(=N)N2O1 ZINC000041078252 212043355 /nfs/dbraw/zinc/04/33/55/212043355.db2.gz SACPACQSXOMRGR-RPDORSEYSA-N 0 0 390.443 3.634 40 10 GHCBRN N=C1/C(=C/c2cccc3ccccc23)C(=O)N=C2SC(N3CCCC3)=NN21 ZINC000041084946 212043126 /nfs/dbraw/zinc/04/31/26/212043126.db2.gz DKOMRXVEDBZMEA-PSPCYXPKSA-N 0 0 375.457 3.512 40 10 GHCBRN COc1ccccc1NC(=O)[C@H](N=Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)=O ZINC000100049890 211382564 /nfs/dbraw/zinc/38/25/64/211382564.db2.gz QPHCXDDGQQLPIM-FVGNFYTDSA-N 0 0 390.783 3.937 40 10 GHCBRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000020460366 210338657 /nfs/dbraw/zinc/33/86/57/210338657.db2.gz YYIDAQNZPQUQPW-OAQYLSRUSA-N 0 0 382.504 3.614 40 10 GHCBRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000113945429 136192133 /nfs/dbraw/zinc/19/21/33/136192133.db2.gz YXDKIRGKKPOJQL-GOSISDBHSA-N 0 0 390.483 3.760 40 10 GHCBRN Cc1cc2nc3s/c(=C\c4ccc(N5CCCC5)cc4F)c(=O)n3c2cc1C ZINC000409392623 534133887 /nfs/dbraw/zinc/13/38/87/534133887.db2.gz MZNSOVYAZIBDAM-JAIQZWGSSA-N 0 0 393.487 3.813 40 10 GHCBRN CCN1c2cc(C)c(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2[C@H](C)CC1(C)C ZINC000113792247 527995140 /nfs/dbraw/zinc/99/51/40/527995140.db2.gz NAWSKXJYDYCSOI-CQSZACIVSA-N 0 0 399.560 3.706 40 10 GHCBRN COc1ccc(N2CCN([C@H](CC(C)C)c3nnnn3C3CCCC3)CC2)cc1 ZINC000057669636 570367067 /nfs/dbraw/zinc/36/70/67/570367067.db2.gz OYPPFTULZQIQBQ-OAQYLSRUSA-N 0 0 398.555 3.706 40 10 GHCBRN O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000009188342 570551287 /nfs/dbraw/zinc/55/12/87/570551287.db2.gz OJZYZRWABNIPSQ-OEMOTLHWSA-N 0 0 384.320 3.829 40 10 GHCBRN C[C@@H](NC(=O)c1ccc2oc(=O)n(C)c2c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000036752749 570569738 /nfs/dbraw/zinc/56/97/38/570569738.db2.gz YWEQBWNQSCWYGC-MRXNPFEDSA-N 0 0 393.487 3.859 40 10 GHCBRN COC(=O)c1cccc(NC(=S)NCCCN2CCc3ccccc32)c1C ZINC000225560031 570588394 /nfs/dbraw/zinc/58/83/94/570588394.db2.gz YLHWAEWNIFHXSG-UHFFFAOYSA-N 0 0 383.517 3.521 40 10 GHCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000059435720 570653968 /nfs/dbraw/zinc/65/39/68/570653968.db2.gz ZFDQMZGYKPEMTE-SXGWCWSVSA-N 0 0 397.814 3.946 40 10 GHCBRN Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260801589 570708148 /nfs/dbraw/zinc/70/81/48/570708148.db2.gz GVATYJCAXSFPKL-HNNXBMFYSA-N 0 0 376.497 3.849 40 10 GHCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cccc(C)c1 ZINC000014414444 570891455 /nfs/dbraw/zinc/89/14/55/570891455.db2.gz NMPUFMHVWORFBQ-MOSHPQCFSA-N 0 0 377.440 3.876 40 10 GHCBRN Cc1cc(-n2cccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1Cl ZINC000033720888 856549223 /nfs/dbraw/zinc/54/92/23/856549223.db2.gz GJWZCODLYVNURK-AQTBWJFISA-N 0 0 377.831 3.901 40 10 GHCBRN O=C1/C(=C/c2ccccc2N2CCOCC2)SC(=S)N1c1ccccc1 ZINC000208678003 856566425 /nfs/dbraw/zinc/56/64/25/856566425.db2.gz FGXURVGZMIMPSJ-JXAWBTAJSA-N 0 0 382.510 3.929 40 10 GHCBRN O=C1[C@@H]([C@H]2Sc3ccccc3NC2=O)SC(=S)N1Cc1ccccc1 ZINC000001567432 209332547 /nfs/dbraw/zinc/33/25/47/209332547.db2.gz UVLNNIKGDNAHSD-HUUCEWRRSA-N 0 0 386.523 3.529 40 10 GHCBRN COc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(C)cc4)S3)CC2)cc1 ZINC000001443596 209328416 /nfs/dbraw/zinc/32/84/16/209328416.db2.gz BFTYXXHSVZPRHA-HMMYKYKNSA-N 0 0 393.512 3.796 40 10 GHCBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2cc3ccccc3oc2=O)SC1=S ZINC000001102752 209299631 /nfs/dbraw/zinc/29/96/31/209299631.db2.gz BDFLHWYIUOXBCO-YBEGLDIGSA-N 0 0 382.466 3.749 40 10 GHCBRN CCOCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1OCC ZINC000224699337 211871211 /nfs/dbraw/zinc/87/12/11/211871211.db2.gz DMAHYQIZQOJKQD-UHFFFAOYSA-N 0 0 398.503 3.593 40 10 GHCBRN C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)no1)c1ccc(N2CCOCC2)cc1 ZINC000019659398 210278033 /nfs/dbraw/zinc/27/80/33/210278033.db2.gz OMZBZVNBQPXEII-OAHLLOKOSA-N 0 0 395.434 3.808 40 10 GHCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000409021999 533267380 /nfs/dbraw/zinc/26/73/80/533267380.db2.gz HLDNPOKXNAKAIH-YBEGLDIGSA-N 0 0 399.830 3.931 40 10 GHCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000408892156 533268537 /nfs/dbraw/zinc/26/85/37/533268537.db2.gz GRAQVVDPAIWIOC-PTNGSMBKSA-N 0 0 382.347 3.611 40 10 GHCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000408896235 533269245 /nfs/dbraw/zinc/26/92/45/533269245.db2.gz WVZUDWCAJYESBE-PTNGSMBKSA-N 0 0 382.347 3.611 40 10 GHCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1O ZINC000409035855 533469922 /nfs/dbraw/zinc/46/99/22/533469922.db2.gz QMRKWKJVTZTJGC-WEVVVXLNSA-N 0 0 398.287 3.902 40 10 GHCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCCOC(C)C ZINC000103917634 528064929 /nfs/dbraw/zinc/06/49/29/528064929.db2.gz ZGCTYICGLWTNNA-CYVLTUHYSA-N 0 0 388.468 3.776 40 10 GHCBRN CCN1c2cc(C)c(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000113792250 535785102 /nfs/dbraw/zinc/78/51/02/535785102.db2.gz NAWSKXJYDYCSOI-AWEZNQCLSA-N 0 0 399.560 3.706 40 10 GHCBRN Oc1ccc(Cl)cc1Nc1cc(-c2cccnc2)nc(NC2CCCC2)n1 ZINC000329018773 570212945 /nfs/dbraw/zinc/21/29/45/570212945.db2.gz NSFYUBIZJRVGSA-UHFFFAOYSA-N 0 0 381.867 3.840 40 10 GHCBRN COc1ccc(C[C@@H]2SC(=S)N(CC(C)C)C2=O)cc1Br ZINC000006326108 570357224 /nfs/dbraw/zinc/35/72/24/570357224.db2.gz VFACHRTXXHFRNF-ZDUSSCGKSA-N 0 0 388.352 3.885 40 10 GHCBRN COc1ccc(N2CCN([C@@H](CC(C)C)c3nnnn3C3CCCC3)CC2)cc1 ZINC000057669633 570367184 /nfs/dbraw/zinc/36/71/84/570367184.db2.gz OYPPFTULZQIQBQ-NRFANRHFSA-N 0 0 398.555 3.706 40 10 GHCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cc(C)ccn1 ZINC000222747849 570423886 /nfs/dbraw/zinc/42/38/86/570423886.db2.gz AXQREOQMRQABRU-UXHICEINSA-N 0 0 377.517 3.795 40 10 GHCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 ZINC000223033192 570438678 /nfs/dbraw/zinc/43/86/78/570438678.db2.gz GQZWWWHCJIREGW-RTWAWAEBSA-N 0 0 392.528 3.800 40 10 GHCBRN Cn1c(=O)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc2ccccc21 ZINC000036625749 570566104 /nfs/dbraw/zinc/56/61/04/570566104.db2.gz BQJFYUGPRYJFOX-PDGQHHTCSA-N 0 0 392.505 3.940 40 10 GHCBRN COc1ccc(NC(=S)NCCCN2CCc3ccccc32)c2cccnc12 ZINC000225561704 570588323 /nfs/dbraw/zinc/58/83/23/570588323.db2.gz WOZXFCQNAWSTCO-UHFFFAOYSA-N 0 0 392.528 3.983 40 10 GHCBRN CCOC(=O)c1ccc(NC(=S)NCCCN(C)c2ccccc2)c(C)c1 ZINC000225748497 570612904 /nfs/dbraw/zinc/61/29/04/570612904.db2.gz TWMRYQDWTLLGBU-UHFFFAOYSA-N 0 0 385.533 3.985 40 10 GHCBRN CCN(CCNC(=S)Nc1cc(C(=O)OC)ccc1C)c1ccc(C)cc1 ZINC000225793300 570618187 /nfs/dbraw/zinc/61/81/87/570618187.db2.gz VLVIUKCIMIWUDT-UHFFFAOYSA-N 0 0 385.533 3.903 40 10 GHCBRN CC1=NC(=S)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)O[C@@H]1CCC[C@H](C)C1 ZINC000005002900 570652712 /nfs/dbraw/zinc/65/27/12/570652712.db2.gz AMOMSDKTONIICD-BOFPYLFWSA-N 0 0 387.549 3.667 40 10 GHCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000059435675 570653902 /nfs/dbraw/zinc/65/39/02/570653902.db2.gz VUJBOEVQHODSSK-ZHZULCJRSA-N 0 0 376.456 3.625 40 10 GHCBRN CCc1ccc(NC(C)=C2C(=O)N(c3ccccc3)N=C2CC(=O)OC)cc1 ZINC000017077198 570916458 /nfs/dbraw/zinc/91/64/58/570916458.db2.gz JKFDZWGPGFMELC-QNGOZBTKSA-N 0 0 377.444 3.901 40 10 GHCBRN COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000006654839 856545620 /nfs/dbraw/zinc/54/56/20/856545620.db2.gz FQQCKLRRVRDVAZ-OJLMPMFISA-N 0 0 396.270 3.845 40 10 GHCBRN COc1ccc(C[C@@H]2SC(=S)N(CCc3ccccc3)C2=O)c(OC)c1 ZINC000008115221 921245246 /nfs/dbraw/zinc/24/52/46/921245246.db2.gz RMVKRHSNETUMIY-SFHVURJKSA-N 0 0 387.526 3.718 40 10 GHCBRN O=C1C(=Cc2ccncc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408813851 231117376 /nfs/dbraw/zinc/11/73/76/231117376.db2.gz FRMBKFPDRPJHML-UHFFFAOYSA-N 0 0 385.448 3.830 40 10 GHCBRN Cc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)c(C)n1-c1cccnc1 ZINC000409086300 231157262 /nfs/dbraw/zinc/15/72/62/231157262.db2.gz QHMFZTHGQGFOGI-UNOMPAQXSA-N 0 0 380.517 3.879 40 10 GHCBRN Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(N)=O)SC2=S)c(C)c1 ZINC000409326840 231190026 /nfs/dbraw/zinc/19/00/26/231190026.db2.gz FEYIDYNCAOZVAH-YVLHZVERSA-N 0 0 398.509 3.573 40 10 GHCBRN CN1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N(C)C1=S ZINC000005668644 530039960 /nfs/dbraw/zinc/03/99/60/530039960.db2.gz FFWBVOIQQCVALY-UHFFFAOYSA-N 0 0 395.267 3.852 40 10 GHCBRN COc1cccc(/C=C2\SC(=S)N(C(=O)c3ccccc3OC)C2=O)c1 ZINC000002751458 209382780 /nfs/dbraw/zinc/38/27/80/209382780.db2.gz AJSDTTBNGHUBGS-WJDWOHSUSA-N 0 0 385.466 3.745 40 10 GHCBRN CC(=O)O[C@H](C)c1cc2c(s1)C(=O)c1scc([C@H](C)OC(C)=O)c1C2=O ZINC000001652354 209334795 /nfs/dbraw/zinc/33/47/95/209334795.db2.gz JFEMGTTXNHRUOR-JGVFFNPUSA-N 0 0 392.454 3.833 40 10 GHCBRN CCN1CCN(C2=NC(=O)/C(=C/c3ccc(-c4ccccc4)cc3)S2)CC1 ZINC000019842453 210302792 /nfs/dbraw/zinc/30/27/92/210302792.db2.gz WYWLLXJNPIMCKJ-SILNSSARSA-N 0 0 377.513 3.961 40 10 GHCBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(OC)c1O ZINC000409072628 533268780 /nfs/dbraw/zinc/26/87/80/533268780.db2.gz QVDWSQWYWFNOAK-KAMYIIQDSA-N 0 0 399.830 3.931 40 10 GHCBRN C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218299039 136203723 /nfs/dbraw/zinc/20/37/23/136203723.db2.gz SLGMRTWJAMPASR-JLHGSKIFSA-N 0 0 380.488 3.940 40 10 GHCBRN Cc1cc(N2CCOCC2)ccc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222597183 136204946 /nfs/dbraw/zinc/20/49/46/136204946.db2.gz YKFXZAXSVNLPJE-NDXORKPFSA-N 0 0 394.544 3.816 40 10 GHCBRN COc1ccc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1 ZINC000408645504 534083073 /nfs/dbraw/zinc/08/30/73/534083073.db2.gz KXCKKDHFBXXBNF-UHFFFAOYSA-N 0 0 378.428 3.898 40 10 GHCBRN Cc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)o1 ZINC000409332906 534247928 /nfs/dbraw/zinc/24/79/28/534247928.db2.gz SSJDCDXSAVJZQB-MDWZMJQESA-N 0 0 378.862 3.788 40 10 GHCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(C)C3=O)c2C)c1 ZINC000408808099 528246415 /nfs/dbraw/zinc/24/64/15/528246415.db2.gz DCZLBYGWGPOOIX-BOPFTXTBSA-N 0 0 384.457 3.937 40 10 GHCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc(O)c3)C(C(=O)OC)=C2C)cc1 ZINC000408891710 528483077 /nfs/dbraw/zinc/48/30/77/528483077.db2.gz BUBIOHDOZCDKJT-UYRXBGFRSA-N 0 0 379.412 3.668 40 10 GHCBRN O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1CCCCCC1 ZINC000005370787 570435111 /nfs/dbraw/zinc/43/51/11/570435111.db2.gz FGHXXNDXVIIKTE-JUBDITTISA-N 0 0 386.542 3.847 40 10 GHCBRN O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)N1CCCCCC1 ZINC000005370756 570435201 /nfs/dbraw/zinc/43/52/01/570435201.db2.gz RYTODGZBVCMODO-FYWRMAATSA-N 0 0 378.519 3.664 40 10 GHCBRN COc1ccccc1/C=C1\SC(N2CCN(c3ccc(F)cc3)CC2)=NC1=O ZINC000009189268 570551605 /nfs/dbraw/zinc/55/16/05/570551605.db2.gz PEMOFXNRDKQEFJ-RGEXLXHISA-N 0 0 397.475 3.627 40 10 GHCBRN COc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000225420086 570572073 /nfs/dbraw/zinc/57/20/73/570572073.db2.gz ZEXUGHHBQQJKKU-UHFFFAOYSA-N 0 0 391.924 3.672 40 10 GHCBRN CC(C)Oc1cccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000225421646 570572414 /nfs/dbraw/zinc/57/24/14/570572414.db2.gz CGVHEYAOZLCRGM-UHFFFAOYSA-N 0 0 385.533 3.797 40 10 GHCBRN CC(C)Oc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000225421596 570572496 /nfs/dbraw/zinc/57/24/96/570572496.db2.gz MUIXHAXZTRPYDU-UHFFFAOYSA-N 0 0 385.533 3.797 40 10 GHCBRN Fc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000053535805 570675026 /nfs/dbraw/zinc/67/50/26/570675026.db2.gz JUZYBXVSEXLNPZ-UHFFFAOYSA-N 0 0 379.888 3.802 40 10 GHCBRN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054285128 570677250 /nfs/dbraw/zinc/67/72/50/570677250.db2.gz YQMFMIPJKXWAJC-UHFFFAOYSA-N 0 0 388.895 3.650 40 10 GHCBRN COC(=O)c1cccc(-n2c(C)cc(C=C3SC(=S)NC3=O)c2C)c1C ZINC000408992323 570690643 /nfs/dbraw/zinc/69/06/43/570690643.db2.gz ABMPKKLGRVRNQZ-SXGWCWSVSA-N 0 0 386.498 3.678 40 10 GHCBRN COc1ccccc1NC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000005643862 570734825 /nfs/dbraw/zinc/73/48/25/570734825.db2.gz GOJWBIZBTDJUGU-UHFFFAOYSA-N 0 0 378.428 3.898 40 10 GHCBRN COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000001276929 570952312 /nfs/dbraw/zinc/95/23/12/570952312.db2.gz HBUDRVUVXYXJTQ-SYFUPATCSA-N 0 0 376.286 3.756 40 10 GHCBRN COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc(C)cc1 ZINC000008371616 856545357 /nfs/dbraw/zinc/54/53/57/856545357.db2.gz JIOVFTCPBSXXFT-UYRXBGFRSA-N 0 0 391.423 3.659 40 10 GHCBRN O=C(CSCc1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)cc1 ZINC000013676329 210078721 /nfs/dbraw/zinc/07/87/21/210078721.db2.gz PYLRLBCJRPSPBW-UHFFFAOYSA-N 0 0 390.936 3.726 40 10 GHCBRN CC(NCCc1ccc(O)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C ZINC000013623476 210073188 /nfs/dbraw/zinc/07/31/88/210073188.db2.gz BOJTVQOQSFIEOH-CPNJWEJPSA-N 0 0 392.484 3.831 40 10 GHCBRN Cc1ccc(NC2(NC(=O)c3ccc(C)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000226297753 209187926 /nfs/dbraw/zinc/18/79/26/209187926.db2.gz QTUACGSDPPOFEI-UHFFFAOYSA-N 0 0 384.435 3.921 40 10 GHCBRN N=C1/C(=C\c2ccc3c(c2)OCO3)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000001174913 212060951 /nfs/dbraw/zinc/06/09/51/212060951.db2.gz SFBDCKHLMNVGPJ-HOMCDIFHSA-N 0 0 382.445 3.615 40 10 GHCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(OC)ccc1OC ZINC000408995347 533267571 /nfs/dbraw/zinc/26/75/71/533267571.db2.gz BNENJYIXFABMRB-PDGQHHTCSA-N 0 0 397.402 3.720 40 10 GHCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1sccc1C ZINC000408768449 533265256 /nfs/dbraw/zinc/26/52/56/533265256.db2.gz JGSNMEREEKYFQL-BOPFTXTBSA-N 0 0 383.469 3.938 40 10 GHCBRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000116034434 136192295 /nfs/dbraw/zinc/19/22/95/136192295.db2.gz SAIJHMNELISVMU-UHFFFAOYSA-N 0 0 377.488 3.734 40 10 GHCBRN C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218298761 136203642 /nfs/dbraw/zinc/20/36/42/136203642.db2.gz RMODPWGEDDOMMG-VGSWGCGISA-N 0 0 380.488 3.940 40 10 GHCBRN COC(=O)c1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000409349918 533959221 /nfs/dbraw/zinc/95/92/21/533959221.db2.gz WLYYVHOUKIHDJU-LZYBPNLTSA-N 0 0 399.449 3.608 40 10 GHCBRN CC(=O)NC1=NC(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)S1 ZINC000408720018 526696187 /nfs/dbraw/zinc/69/61/87/526696187.db2.gz VSWZKJBDWRSGLJ-RIYZIHGNSA-N 0 0 391.246 3.816 40 10 GHCBRN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NC[C@@H]1CCCO1 ZINC000112121848 528067007 /nfs/dbraw/zinc/06/70/07/528067007.db2.gz ILGQKKGGYFRSLS-RVAQLADHSA-N 0 0 384.505 3.842 40 10 GHCBRN CCOc1ccc(/C=C2\C(=O)N(Cc3ccccc3)C(C)=C2C(=O)OC)cc1 ZINC000408977577 528368941 /nfs/dbraw/zinc/36/89/41/528368941.db2.gz IZWXCQDRCXMROT-ZHZULCJRSA-N 0 0 377.440 3.958 40 10 GHCBRN O=C(c1ccccc1F)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000005514703 570444034 /nfs/dbraw/zinc/44/40/34/570444034.db2.gz OFZJEORNCTXVMQ-OVCLIPMQSA-N 0 0 387.413 3.596 40 10 GHCBRN CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)c(C)c2C)cc1 ZINC000224820766 570532357 /nfs/dbraw/zinc/53/23/57/570532357.db2.gz XNJXABUTRCBICL-UHFFFAOYSA-N 0 0 376.522 3.637 40 10 GHCBRN COc1ccc(CN(Cc2cccnc2)C(=S)NCc2ccco2)cc1OC ZINC000000933369 570542820 /nfs/dbraw/zinc/54/28/20/570542820.db2.gz NJLVITGWRIOLMU-UHFFFAOYSA-N 0 0 397.500 3.769 40 10 GHCBRN CCOc1ccccc1/C=C1\C(=O)N(c2cccc(OC)c2)C(C)=C1C(=O)OC ZINC000059959190 570660452 /nfs/dbraw/zinc/66/04/52/570660452.db2.gz KHBBVSXCMOEQHV-UYRXBGFRSA-N 0 0 393.439 3.971 40 10 GHCBRN Cc1ccc(NC(=O)COc2ccc(C=C3SC(=S)NC3=O)cc2)cc1C ZINC000211965733 856568276 /nfs/dbraw/zinc/56/82/76/856568276.db2.gz HKCWRGMYPGEWCZ-LICLKQGHSA-N 0 0 398.509 3.810 40 10 GHCBRN Cc1cc(/C=C2\C(C)=NN(c3ccccc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 ZINC000408904045 231126750 /nfs/dbraw/zinc/12/67/50/231126750.db2.gz CVKQHRMMGAACFH-HYARGMPZSA-N 0 0 398.466 3.999 40 10 GHCBRN COc1ccc2cc(CNc3ccc(N4CCCCC4)cc3CO)c(=O)[nH]c2c1 ZINC000013565086 210068823 /nfs/dbraw/zinc/06/88/23/210068823.db2.gz HJNVNSOEVHVANI-UHFFFAOYSA-N 0 0 393.487 3.631 40 10 GHCBRN Cc1cc(N2CCCC2)ccc1/C=C1/NC(=O)N(Cc2ccccc2F)C1=O ZINC000013546788 210066516 /nfs/dbraw/zinc/06/65/16/210066516.db2.gz PFWRMVZDGLBIMO-DEDYPNTBSA-N 0 0 379.435 3.827 40 10 GHCBRN COc1cccc(OC)c1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000005527496 209599922 /nfs/dbraw/zinc/59/99/22/209599922.db2.gz XYEGKWAUWWATMS-UHFFFAOYSA-N 0 0 387.391 3.732 40 10 GHCBRN O=C1[C@@H]([C@@H]2Sc3ccccc3NC2=O)SC(=S)N1Cc1ccccc1 ZINC000001567430 209332709 /nfs/dbraw/zinc/33/27/09/209332709.db2.gz UVLNNIKGDNAHSD-LSDHHAIUSA-N 0 0 386.523 3.529 40 10 GHCBRN CCc1ccccc1OCCn1cccc1/C=C1\C(=N)N2OC(C)=CC2=NC1=O ZINC000041082709 212043062 /nfs/dbraw/zinc/04/30/62/212043062.db2.gz JOGCNQFIARQFRJ-ZBLGNAECSA-N 0 0 390.443 3.580 40 10 GHCBRN Cc1ccc(N(C)CCNC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 ZINC000225796709 211927368 /nfs/dbraw/zinc/92/73/68/211927368.db2.gz VMQDMFBJRNKJGQ-UHFFFAOYSA-N 0 0 396.560 3.853 40 10 GHCBRN CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000020110445 210315497 /nfs/dbraw/zinc/31/54/97/210315497.db2.gz LSTZKXDPEARXTM-NRFANRHFSA-N 0 0 382.504 3.614 40 10 GHCBRN COc1ccc(Br)cc1/C=C1/C(=O)N(C(=O)c2ccccc2)N=C1C ZINC000408937684 533262001 /nfs/dbraw/zinc/26/20/01/533262001.db2.gz JJWIQKYDAPAULQ-LFIBNONCSA-N 0 0 399.244 3.900 40 10 GHCBRN COc1ccc(C2=C/C(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)C(=O)O2)cc1 ZINC000408742089 533428768 /nfs/dbraw/zinc/42/87/68/533428768.db2.gz MXSLLPVXULUZHT-RIYZIHGNSA-N 0 0 383.356 3.602 40 10 GHCBRN COC(=O)c1ccc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1 ZINC000409330052 533959540 /nfs/dbraw/zinc/95/95/40/533959540.db2.gz JFEDOSIYVDKHPJ-LFIBNONCSA-N 0 0 385.466 3.888 40 10 GHCBRN O=C1S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1c1ccccc1 ZINC000409137078 534824747 /nfs/dbraw/zinc/82/47/47/534824747.db2.gz WGPIADFQDWDSLH-AQTBWJFISA-N 0 0 384.432 3.903 40 10 GHCBRN O=C1S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1ccccc1 ZINC000409134323 534825011 /nfs/dbraw/zinc/82/50/11/534825011.db2.gz OEWXNHQBRGMOQO-UYRXBGFRSA-N 0 0 398.459 3.899 40 10 GHCBRN CCOc1cc(Br)c(/C=C2/SC(=S)N(C)C2=O)cc1OC ZINC000409331713 528200968 /nfs/dbraw/zinc/20/09/68/528200968.db2.gz OPLAORWHCDWALR-WUXMJOGZSA-N 0 0 388.308 3.687 40 10 GHCBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000408586072 528615864 /nfs/dbraw/zinc/61/58/64/528615864.db2.gz KWFUWEUWEMEXAP-DHDCSXOGSA-N 0 0 392.839 3.967 40 10 GHCBRN CCOc1cccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(C)=C2C(=O)OC)c1O ZINC000408587051 528628036 /nfs/dbraw/zinc/62/80/36/528628036.db2.gz PQXOIPCPSIGUGQ-ATVHPVEESA-N 0 0 397.402 3.807 40 10 GHCBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2C)C1=O ZINC000409039321 528807458 /nfs/dbraw/zinc/80/74/58/528807458.db2.gz CMRWJDSVHFIXFG-SFQUDFHCSA-N 0 0 388.489 3.585 40 10 GHCBRN O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000005551882 570445365 /nfs/dbraw/zinc/44/53/65/570445365.db2.gz KQKRKRJIJUWSKI-GDNBJRDFSA-N 0 0 388.901 3.815 40 10 GHCBRN CCN(CC)c1ccc(CNC(=O)CN2c3cccc4cccc(c34)C2=O)cc1 ZINC000224837927 570533198 /nfs/dbraw/zinc/53/31/98/570533198.db2.gz HSYUJSOJAPAIDY-UHFFFAOYSA-N 0 0 387.483 3.963 40 10 GHCBRN CCN(CCNC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(C)cc1 ZINC000225793958 570618027 /nfs/dbraw/zinc/61/80/27/570618027.db2.gz AMMVQRFIAAMAMF-UHFFFAOYSA-N 0 0 396.560 3.935 40 10 GHCBRN Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000054285088 570677156 /nfs/dbraw/zinc/67/71/56/570677156.db2.gz VCQWARQLQURGAS-UHFFFAOYSA-N 0 0 382.504 3.650 40 10 GHCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccc(N(C)C)cc1 ZINC000006570061 856543782 /nfs/dbraw/zinc/54/37/82/856543782.db2.gz DYVMPPCPEBUWBK-HXUWFJFHSA-N 0 0 379.460 3.861 40 10 GHCBRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1N1CCCCC1 ZINC000145385590 856557396 /nfs/dbraw/zinc/55/73/96/856557396.db2.gz ITNAWYIZMHFJGL-ZHZULCJRSA-N 0 0 375.497 3.756 40 10 GHCBRN COc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1O ZINC000059417967 230944741 /nfs/dbraw/zinc/94/47/41/230944741.db2.gz ARWGMLVBALZNRT-NVNXTCNLSA-N 0 0 388.426 3.715 40 10 GHCBRN Cc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1N1CCCC1 ZINC000409140398 231170361 /nfs/dbraw/zinc/17/03/61/231170361.db2.gz DYXJCCZCNVLHFW-RGEXLXHISA-N 0 0 391.496 3.996 40 10 GHCBRN COc1cccc(Cc2cc(=O)n3ncc(C(=O)Nc4ccc(C)cc4)c3[nH]2)c1 ZINC000019210716 210230265 /nfs/dbraw/zinc/23/02/65/210230265.db2.gz TXVALGHIKLQPRU-UHFFFAOYSA-N 0 0 388.427 3.595 40 10 GHCBRN CC(=O)Nc1ccc(NC2=NC(=O)C(=Cc3ccc(N(C)C)cc3)S2)cc1 ZINC000005373099 209590634 /nfs/dbraw/zinc/59/06/34/209590634.db2.gz DJPNVFKGUZJVQH-PDGQHHTCSA-N 0 0 380.473 3.793 40 10 GHCBRN Cc1ccc(/C=C2/C(=N)N3N=C(COc4cccc(C)c4)SC3=NC2=O)o1 ZINC000003890174 212063825 /nfs/dbraw/zinc/06/38/25/212063825.db2.gz FUINWPMMYFRHMH-KTVYXKAUSA-N 0 0 380.429 3.595 40 10 GHCBRN CC1=CSC2=NC(=O)/C(=C\c3cccc(OC(=O)c4ccco4)c3)C(=N)N12 ZINC000103563558 209174340 /nfs/dbraw/zinc/17/43/40/209174340.db2.gz OVHWRHWRXIXNSQ-FZVWOUGZSA-N 0 0 379.397 3.666 40 10 GHCBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C/c1c(F)cccc1Cl ZINC000408896688 533265529 /nfs/dbraw/zinc/26/55/29/533265529.db2.gz YZHRJJRDECHXGY-OQLLNIDSSA-N 0 0 386.810 3.747 40 10 GHCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1c(F)cccc1Cl ZINC000408794298 533265692 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CCn1c(S[C@@H](C)C(=O)Nc2ccc(N)cc2)nnc1-c1cccc(C)c1 ZINC000000930596 211498476 /nfs/dbraw/zinc/49/84/76/211498476.db2.gz WDTACZLWBPRHHN-AWEZNQCLSA-N 0 0 381.505 3.975 40 10 GHCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 ZINC000408892161 533267809 /nfs/dbraw/zinc/26/78/09/533267809.db2.gz GRSBTWGCCINPPW-BOPFTXTBSA-N 0 0 397.402 3.720 40 10 GHCBRN COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1 ZINC000409347500 533554520 /nfs/dbraw/zinc/55/45/20/533554520.db2.gz QADHRXWDOKWCRH-GZTJUZNOSA-N 0 0 399.493 3.953 40 10 GHCBRN COc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1C ZINC000065795965 536611782 /nfs/dbraw/zinc/61/17/82/536611782.db2.gz QPOOFBFISGSHQJ-UHFFFAOYSA-N 0 0 388.533 3.781 40 10 GHCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)n1-c1ccccc1 ZINC000223635499 570475952 /nfs/dbraw/zinc/47/59/52/570475952.db2.gz BDXPCPFKIRKDQM-NHCUHLMSSA-N 0 0 392.528 3.536 40 10 GHCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)n1-c1ccccc1 ZINC000223635591 570475979 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COc1ccc(N(C)CCNC(=S)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000225798016 570618248 /nfs/dbraw/zinc/61/82/48/570618248.db2.gz LDUAYQIGVJWXHV-UHFFFAOYSA-N 0 0 379.913 3.780 40 10 GHCBRN COC(=O)c1ccc(-c2ccc(C=C3C(=O)OC4(CCCCC4)OC3=O)o2)cc1 ZINC000058865518 570648220 /nfs/dbraw/zinc/64/82/20/570648220.db2.gz ZUFKJRGSEHIPEV-UHFFFAOYSA-N 0 0 396.395 3.877 40 10 GHCBRN O=S(=O)(Cc1ccccc1Cl)NCc1ccc(N2CCCCC2)cc1 ZINC000010113265 570782368 /nfs/dbraw/zinc/78/23/68/570782368.db2.gz KXFKUEIMRIWTEW-UHFFFAOYSA-N 0 0 378.925 3.950 40 10 GHCBRN COc1ccc(-c2ccc(C=C3C(=O)OC4(CCCC4)OC3=O)o2)c([N+](=O)[O-])c1 ZINC000013915740 570867253 /nfs/dbraw/zinc/86/72/53/570867253.db2.gz LYDMMVHQUUIAFD-UHFFFAOYSA-N 0 0 399.355 3.617 40 10 GHCBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccccc1F ZINC000006395086 856543672 /nfs/dbraw/zinc/54/36/72/856543672.db2.gz CQFFVPVQWMEORG-WJDWOHSUSA-N 0 0 382.347 3.611 40 10 GHCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)cc1 ZINC000107678640 856554018 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CCOC(=O)c1cccc(NC(=S)NCc2ccc(N3CCCC3)cc2)c1 ZINC000225424787 211897461 /nfs/dbraw/zinc/89/74/61/211897461.db2.gz SYOBKUWZWNKQGJ-UHFFFAOYSA-N 0 0 383.517 3.950 40 10 GHCBRN COc1ccccc1NC(=O)[C@@H](N=Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)=O ZINC000100049894 211382397 /nfs/dbraw/zinc/38/23/97/211382397.db2.gz QPHCXDDGQQLPIM-BZROSYFNSA-N 0 0 390.783 3.937 40 10 GHCBRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000022511472 210413866 /nfs/dbraw/zinc/41/38/66/210413866.db2.gz GTCUNPAKPLYREO-IBGZPJMESA-N 0 0 382.504 3.532 40 10 GHCBRN C[C@H](NC(=O)c1cc(-c2cccc(F)c2)no1)c1ccc(N2CCOCC2)cc1 ZINC000019718149 210288885 /nfs/dbraw/zinc/28/88/85/210288885.db2.gz OEHBWWCBEREEFJ-HNNXBMFYSA-N 0 0 395.434 3.808 40 10 GHCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 ZINC000408892816 533267659 /nfs/dbraw/zinc/26/76/59/533267659.db2.gz JUCXRJHUXZBANH-UYRXBGFRSA-N 0 0 391.423 3.659 40 10 GHCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 ZINC000408896244 533266600 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GHCBRN CCC[C@H](c1nnnn1C1CCCCC1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000057669499 570366841 /nfs/dbraw/zinc/36/68/41/570366841.db2.gz GWUOZJLEFSACOU-OAQYLSRUSA-N 0 0 398.555 3.850 40 10 GHCBRN COc1ccc(N2CCN(c3ccc(N4CCN(C(C)C)C4=O)cc3)CC2)cc1 ZINC000033358752 570525925 /nfs/dbraw/zinc/52/59/25/570525925.db2.gz KMIIRMKLQKPOAL-UHFFFAOYSA-N 0 0 394.519 3.672 40 10 GHCBRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000038754465 570581709 /nfs/dbraw/zinc/58/17/09/570581709.db2.gz PMEZXQCLCJBASJ-HXUWFJFHSA-N 0 0 388.895 3.650 40 10 GHCBRN CCOC(=O)c1cc(NC(=S)NCCN(C)c2ccccc2)ccc1Cl ZINC000225571847 570589702 /nfs/dbraw/zinc/58/97/02/570589702.db2.gz NDFVKRHWDYZOJH-UHFFFAOYSA-N 0 0 391.924 3.940 40 10 GHCBRN O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000058823018 570648589 /nfs/dbraw/zinc/64/85/89/570648589.db2.gz SKOCHXKGZSUFPT-UHFFFAOYSA-N 0 0 390.823 3.813 40 10 GHCBRN COc1ccc(N2CCN(C(=O)c3cc4cc(OC)ccc4nc3C)CC2)cc1 ZINC000054105222 570947388 /nfs/dbraw/zinc/94/73/88/570947388.db2.gz RCXCBRAGXJZXKB-UHFFFAOYSA-N 0 0 391.471 3.523 40 10 GHCBRN Cc1ccc(C(=O)N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1 ZINC000033444732 856546710 /nfs/dbraw/zinc/54/67/10/856546710.db2.gz HRGLGRQGOOWUMC-XNTDXEJSSA-N 0 0 384.438 3.945 40 10 GHCBRN CN(C)c1ccc(/C=C2/SC(=S)N(C(=O)c3ccccc3F)C2=O)cc1 ZINC000107951465 856556460 /nfs/dbraw/zinc/55/64/60/856556460.db2.gz OLHLADWXCSXCGJ-LFIBNONCSA-N 0 0 386.473 3.933 40 10 GHCBRN CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(C(C)C)c2C)C1=O ZINC000409229145 231183579 /nfs/dbraw/zinc/18/35/79/231183579.db2.gz KHTZAHDJYITPLI-SFQUDFHCSA-N 0 0 395.459 3.751 40 10 GHCBRN CC(=O)Nc1cc(C)cc(NN=C2C=C([N+](=O)[O-])C=C([N+](=O)[O-])C2=O)c1O ZINC000016267111 210187158 /nfs/dbraw/zinc/18/71/58/210187158.db2.gz YRAINWPKPRBSTH-ISLYRVAYSA-N 0 0 375.297 3.596 40 10 GHCBRN COc1c(C(C)C)c(O)c(O)c2c1[C@H](OC)[C@H]1OC(=O)[C@@]23CCCC(C)(C)[C@@H]13 ZINC000014688368 210122808 /nfs/dbraw/zinc/12/28/08/210122808.db2.gz DHNUPRDARUHAJK-JYLXEMOASA-N 0 0 390.476 3.920 40 10 endogenous,in-man GHCBRN O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)N1CCCc2ccccc21 ZINC000005370666 209588752 /nfs/dbraw/zinc/58/87/52/209588752.db2.gz GBCPFQLDRBHGAV-QGOAFFKASA-N 0 0 394.521 3.867 40 10 GHCBRN Nc1nc(N)c(/N=N\c2ccccc2)cc1/N=N/c1ccc(S(N)(=O)=O)cc1 ZINC000104090856 211433501 /nfs/dbraw/zinc/43/35/01/211433501.db2.gz BBTGLPAPGOMLPD-XNMKTSCDSA-N 0 0 396.436 3.724 40 10 GHCBRN CC1=CC2=NC(=O)/C(=C/c3cccn3CCOc3cc(C)ccc3C)C(=N)N2O1 ZINC000017355391 211374757 /nfs/dbraw/zinc/37/47/57/211374757.db2.gz LEPBMXMHASVGSJ-RVNILFKFSA-N 0 0 390.443 3.634 40 10 GHCBRN COc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1Br ZINC000408946717 533240036 /nfs/dbraw/zinc/24/00/36/533240036.db2.gz ZDPDDDGCOIHGCG-XNTDXEJSSA-N 0 0 399.244 3.900 40 10 GHCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1OC ZINC000408893945 533267313 /nfs/dbraw/zinc/26/73/13/533267313.db2.gz OTNCALNIHIMWBD-AQTBWJFISA-N 0 0 379.412 3.581 40 10 GHCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000408895990 533267403 /nfs/dbraw/zinc/26/74/03/533267403.db2.gz WSQYAGQBKRGXNJ-PDGQHHTCSA-N 0 0 378.384 3.780 40 10 GHCBRN COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000409385163 533268384 /nfs/dbraw/zinc/26/83/84/533268384.db2.gz HUPMSFFOUMVDAN-WQRHYEAKSA-N 0 0 381.453 3.991 40 10 GHCBRN C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218298879 136203699 /nfs/dbraw/zinc/20/36/99/136203699.db2.gz RMODPWGEDDOMMG-VGOFRKELSA-N 0 0 380.488 3.940 40 10 GHCBRN COc1cc(Cl)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1OC ZINC000409093241 533924680 /nfs/dbraw/zinc/92/46/80/533924680.db2.gz ZLXCBQUSUVALHF-LYGDGENHSA-N 0 0 399.921 3.737 40 10 GHCBRN NC(=O)Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000409135691 534369552 /nfs/dbraw/zinc/36/95/52/534369552.db2.gz ZPZAXYDSGPKRLL-YVLHZVERSA-N 0 0 393.493 3.532 40 10 GHCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc([N+](=O)[O-])o1 ZINC000409034009 528145290 /nfs/dbraw/zinc/14/52/90/528145290.db2.gz GUGYJETXALCAJX-QPJJXVBHSA-N 0 0 387.220 3.689 40 10 GHCBRN CCCN1C(=O)/C(=C\c2ccc(OC)cc2)C(=O)N(c2ccccc2)C1=S ZINC000409023467 528163825 /nfs/dbraw/zinc/16/38/25/528163825.db2.gz NBIMHRLFZOTYJZ-NBVRZTHBSA-N 0 0 380.469 3.649 40 10 GHCBRN O=C(NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S)c1ccc(Cl)cc1Cl ZINC000005552847 570446078 /nfs/dbraw/zinc/44/60/78/570446078.db2.gz ITHZSQCQYUHPPI-GHXNOFRVSA-N 0 0 398.296 3.868 40 10 GHCBRN COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4cccc(C)c4)S3)CC2)cc1 ZINC000007499887 570506292 /nfs/dbraw/zinc/50/62/92/570506292.db2.gz IZRJHQCOLVURCE-HKWRFOASSA-N 0 0 393.512 3.796 40 10 GHCBRN CCOc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O ZINC000009188748 570551254 /nfs/dbraw/zinc/55/12/54/570551254.db2.gz KJCIJWISNCKCRN-ATVHPVEESA-N 0 0 398.509 3.940 40 10 GHCBRN CCOc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000225838924 570624447 /nfs/dbraw/zinc/62/44/47/570624447.db2.gz HIDYHUMCXHOGKI-MRXNPFEDSA-N 0 0 385.533 3.970 40 10 GHCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(O)c(OC)c1 ZINC000058883941 570650379 /nfs/dbraw/zinc/65/03/79/570650379.db2.gz DANQYIVQEVUJJH-SXGWCWSVSA-N 0 0 399.830 3.931 40 10 GHCBRN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000059272725 570652963 /nfs/dbraw/zinc/65/29/63/570652963.db2.gz AABDHRXDTMFALL-RZNTYIFUSA-N 0 0 385.763 3.783 40 10 GHCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1O ZINC000408937331 570687390 /nfs/dbraw/zinc/68/73/90/570687390.db2.gz IVAQAFSJZKBGCH-OQLLNIDSSA-N 0 0 384.819 3.886 40 10 GHCBRN COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1cccc(F)c1 ZINC000107988616 856556386 /nfs/dbraw/zinc/55/63/86/856556386.db2.gz JAJWRIDWQPTWFA-SXGWCWSVSA-N 0 0 375.446 3.902 40 10 GHCBRN CC1=NC(=S)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)O[C@@H]1CCC[C@@H](C)C1 ZINC000245333760 877746047 /nfs/dbraw/zinc/74/60/47/877746047.db2.gz AMOMSDKTONIICD-XVSDVWIESA-N 0 0 387.549 3.667 40 10 GHCBRN COc1cc2c(cc1C[C@@H]1SC(=S)N(CCC3CCCC3)C1=O)OCO2 ZINC000008114134 921245812 /nfs/dbraw/zinc/24/58/12/921245812.db2.gz OHVLKWGUYNIYIX-KRWDZBQOSA-N 0 0 393.530 3.776 40 10 GHCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(N)=O)cc3)SC2=S)c(C)c1 ZINC000409203196 231179505 /nfs/dbraw/zinc/17/95/05/231179505.db2.gz WNIAPCZUXYIVAI-LICLKQGHSA-N 0 0 398.509 3.573 40 10 GHCBRN CCn1cccc1/C=C1\C(=O)N(CC)C(=S)N(c2ccc(Cl)cc2)C1=O ZINC000409020672 529547346 /nfs/dbraw/zinc/54/73/46/529547346.db2.gz RXOWEAMIHYUSGP-FOWTUZBSSA-N 0 0 387.892 3.725 40 10 GHCBRN CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1C ZINC000408961047 529733640 /nfs/dbraw/zinc/73/36/40/529733640.db2.gz QJDUUURNLAAPIM-UHFFFAOYSA-N 0 0 395.528 3.564 40 10 GHCBRN O=C(NN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)c1ccc(F)cc1 ZINC000001248795 212232507 /nfs/dbraw/zinc/23/25/07/212232507.db2.gz NBFWSTXCHOBPOQ-NTEUORMPSA-N 0 0 376.409 3.511 40 10 GHCBRN Cc1ccc(NC2(NC(=O)c3cccc(C)c3)C(=O)c3ccccc3C2=O)cc1 ZINC000226297816 212115538 /nfs/dbraw/zinc/11/55/38/212115538.db2.gz HBKFOPPRDNSSFM-UHFFFAOYSA-N 0 0 384.435 3.921 40 10 GHCBRN COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(c2ccccc2)C1=O ZINC000409239535 532958679 /nfs/dbraw/zinc/95/86/79/532958679.db2.gz NSYWIQJJJGPAOY-UYRXBGFRSA-N 0 0 396.468 3.773 40 10 GHCBRN Cc1ccccc1NC(=O)C[C@@H]1SC(=S)N(CCc2ccccc2)C1=O ZINC000009024658 221068044 /nfs/dbraw/zinc/06/80/44/221068044.db2.gz MKHCAFLATJSBRX-KRWDZBQOSA-N 0 0 384.526 3.795 40 10 GHCBRN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1 ZINC000016160917 221358670 /nfs/dbraw/zinc/35/86/70/221358670.db2.gz MGIMTWNFDHEUGW-MOSHPQCFSA-N 0 0 381.863 3.983 40 10 GHCBRN COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(F)cc1 ZINC000112121755 533321193 /nfs/dbraw/zinc/32/11/93/533321193.db2.gz NKQLTZCDDHKLCI-UNOMPAQXSA-N 0 0 385.370 3.617 40 10 GHCBRN CCc1ccc(O[C@H](CC)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000113969645 136192134 /nfs/dbraw/zinc/19/21/34/136192134.db2.gz UYWDLTFTWUJIDH-JOCHJYFZSA-N 0 0 382.504 3.559 40 10 GHCBRN O=C1[C@@H](Cc2ccc3c(c2)OCO3)SC(=S)N1CCCc1ccccc1 ZINC000409160368 534825246 /nfs/dbraw/zinc/82/52/46/534825246.db2.gz HFZQPTDCPNOISM-GOSISDBHSA-N 0 0 385.510 3.820 40 10 GHCBRN O=C1[C@H](Cc2ccc3c(c2)OCO3)SC(=S)N1CCCc1ccccc1 ZINC000409160369 534838681 /nfs/dbraw/zinc/83/86/81/534838681.db2.gz HFZQPTDCPNOISM-SFHVURJKSA-N 0 0 385.510 3.820 40 10 GHCBRN CCCN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(C(=O)OCC)c3)c2C)C1=O ZINC000409241375 528174158 /nfs/dbraw/zinc/17/41/58/528174158.db2.gz SBEXTXWAZWJEOO-CPNJWEJPSA-N 0 0 395.459 3.574 40 10 GHCBRN COc1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3cc2OC)c1 ZINC000020528706 570253733 /nfs/dbraw/zinc/25/37/33/570253733.db2.gz ZFVMGYHUGPJGGU-UHFFFAOYSA-N 0 0 392.455 3.946 40 10 GHCBRN CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)NC1=S ZINC000005879177 570460339 /nfs/dbraw/zinc/46/03/39/570460339.db2.gz ISFNSXIHYAKDED-YRNVUSSQSA-N 0 0 381.240 3.510 40 10 GHCBRN CCN(CCCNC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(C)cc1 ZINC000225733838 570610769 /nfs/dbraw/zinc/61/07/69/570610769.db2.gz PJHFNZJCKYHINH-UHFFFAOYSA-N 0 0 385.533 3.969 40 10 GHCBRN COc1ccc(N2CCN(C(=O)CCc3ncc(-c4ccccc4)o3)CC2)cc1 ZINC000041018866 570614522 /nfs/dbraw/zinc/61/45/22/570614522.db2.gz 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SVKIOGNDVMLDSY-CQSZACIVSA-N 0 0 383.492 3.621 40 10 GHCBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(C)c1 ZINC000108213992 856555369 /nfs/dbraw/zinc/55/53/69/856555369.db2.gz NMTLJDNQQHQIEM-PDGQHHTCSA-N 0 0 378.384 3.780 40 10 GHCBRN COc1ccc(CCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1OC ZINC000216395987 222576269 /nfs/dbraw/zinc/57/62/69/222576269.db2.gz YMWXYNXSTZVFDH-UHFFFAOYSA-N 0 0 382.504 3.943 40 10 GHCBRN O=[N+]([O-])c1ccc(-c2c(-c3ccc(O)c(O)c3O)n[nH]c2C(F)(F)F)cc1 ZINC000004994957 212146357 /nfs/dbraw/zinc/14/63/57/212146357.db2.gz SYXZFDGFXLDTIC-UHFFFAOYSA-N 0 0 381.266 3.788 40 10 GHCBRN COc1ccc(NC(=O)N/C=C2\C(C)=NN(c3cccc(Cl)c3)C2=O)cc1 ZINC000009195699 221074052 /nfs/dbraw/zinc/07/40/52/221074052.db2.gz OSEFYOKLLCIDDR-GZTJUZNOSA-N 0 0 384.823 3.777 40 10 GHCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NC1CCCCC1 ZINC000012032343 221143475 /nfs/dbraw/zinc/14/34/75/221143475.db2.gz VUKIYQLTRNTZOT-FOWTUZBSSA-N 0 0 392.521 3.866 40 10 GHCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc(OC)cc3)C2=N)S1 ZINC000013280947 221263776 /nfs/dbraw/zinc/26/37/76/221263776.db2.gz JBHGPXUCKIAZBU-MWSJVPHRSA-N 0 0 393.472 3.905 40 10 GHCBRN COc1ccc(CN2C(=O)/C(=C\c3ccc(O)c(OC)c3)SC2=S)cc1 ZINC000016216734 221359453 /nfs/dbraw/zinc/35/94/53/221359453.db2.gz QVANVNUKFGCYDS-LICLKQGHSA-N 0 0 387.482 3.811 40 10 GHCBRN CCOC(=O)c1cc(Br)cc(Br)c1/N=N/N(C)O ZINC000017060505 221375883 /nfs/dbraw/zinc/37/58/83/221375883.db2.gz KPZAXRATKGQUAI-BUHFOSPRSA-N 0 0 381.024 3.708 40 10 GHCBRN CC(C)N1CCCc2cc(CNC(=O)CCc3nc4ccccc4[nH]3)ccc21 ZINC000019660714 221439062 /nfs/dbraw/zinc/43/90/62/221439062.db2.gz CSYWITNSKAFELY-UHFFFAOYSA-N 0 0 376.504 3.973 40 10 GHCBRN O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1c[nH]c2ccccc12 ZINC000020226939 221477918 /nfs/dbraw/zinc/47/79/18/221477918.db2.gz HOLKJNBUCBJQDT-XSFVSMFZSA-N 0 0 388.496 3.960 40 10 GHCBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(F)c1 ZINC000408584191 533267193 /nfs/dbraw/zinc/26/71/93/533267193.db2.gz MVPNKAGSJMJRKM-BOPFTXTBSA-N 0 0 382.347 3.611 40 10 GHCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000408770452 533267606 /nfs/dbraw/zinc/26/76/06/533267606.db2.gz XRLDQVLTITVGFK-ZHZULCJRSA-N 0 0 376.456 3.938 40 10 GHCBRN COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(C)cc1 ZINC000112121190 533321526 /nfs/dbraw/zinc/32/15/26/533321526.db2.gz PBNLUZYJZGRDJB-ZHZULCJRSA-N 0 0 381.407 3.786 40 10 GHCBRN CCOc1cc([N+](=O)[O-])c(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC ZINC000096193419 222396838 /nfs/dbraw/zinc/39/68/38/222396838.db2.gz WRSLFSNPAPKCKN-YBEGLDIGSA-N 0 0 381.388 3.808 40 10 GHCBRN COC(=O)c1ccc(C)c(-n2c(C)cc(C=C3SC(=S)NC3=O)c2C)c1 ZINC000408996177 534049587 /nfs/dbraw/zinc/04/95/87/534049587.db2.gz LGMOPDMEEKNRRL-SXGWCWSVSA-N 0 0 386.498 3.678 40 10 GHCBRN CCOc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2)C1=O ZINC000020987176 570285980 /nfs/dbraw/zinc/28/59/80/570285980.db2.gz XFWMYQACXBTPJI-VBKFSLOCSA-N 0 0 384.482 3.632 40 10 GHCBRN COc1ccc2cc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)[nH]c2c1 ZINC000102739397 570291752 /nfs/dbraw/zinc/29/17/52/570291752.db2.gz YZSAEOKVXBMSAR-PXNMLYILSA-N 0 0 398.465 3.531 40 10 GHCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1O ZINC000222741115 570423212 /nfs/dbraw/zinc/42/32/12/570423212.db2.gz JKCUIGXEHSWDIR-VQTJNVASSA-N 0 0 378.501 3.797 40 10 GHCBRN Cc1cccc([C@@H]2C[C@]3(CC(C)(C)NC(=S)N3)Oc3c(O)c(O)ccc32)c1 ZINC000000881936 570507999 /nfs/dbraw/zinc/50/79/99/570507999.db2.gz QXQIHBVWHIABHR-YCRPNKLZSA-N 0 0 384.501 3.663 40 10 GHCBRN CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OCc1ccccc1 ZINC000032111737 570508733 /nfs/dbraw/zinc/50/87/33/570508733.db2.gz NYTJMGZZOWPXIW-XDHOZWIPSA-N 0 0 396.468 3.771 40 10 GHCBRN CCOC(=O)c1ccc(NC(=S)NCCN(C)c2ccccc2)cc1Cl ZINC000225571888 570589885 /nfs/dbraw/zinc/58/98/85/570589885.db2.gz BZHDHMGEQUBZGS-UHFFFAOYSA-N 0 0 391.924 3.940 40 10 GHCBRN CCN(CCNC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(C)cc1 ZINC000225794332 570618128 /nfs/dbraw/zinc/61/81/28/570618128.db2.gz XKVYCWXBMAFOGJ-UHFFFAOYSA-N 0 0 396.560 3.935 40 10 GHCBRN CC1=NC(=S)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)O[C@H]1CCC[C@H](C)C1 ZINC000005002898 570652605 /nfs/dbraw/zinc/65/26/05/570652605.db2.gz AMOMSDKTONIICD-SOVGHPHASA-N 0 0 387.549 3.667 40 10 GHCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)C(C)=C2C(=O)OC)cc1OC ZINC000006964055 570754232 /nfs/dbraw/zinc/75/42/32/570754232.db2.gz RXHRRCZTYMBVOW-AQTBWJFISA-N 0 0 393.439 3.971 40 10 GHCBRN Cc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)n1-c1cccnc1 ZINC000409093276 231158492 /nfs/dbraw/zinc/15/84/92/231158492.db2.gz YNCXHQUWPXDLRZ-PGLQMZEQSA-N 0 0 399.541 3.869 40 10 GHCBRN CC(=O)O[C@H](C)c1cc2c(s1)C(=O)c1scc([C@@H](C)OC(C)=O)c1C2=O ZINC000001652352 212251925 /nfs/dbraw/zinc/25/19/25/212251925.db2.gz JFEMGTTXNHRUOR-HTQZYQBOSA-N 0 0 392.454 3.833 40 10 GHCBRN CCCOC(=O)CCCN1C(=O)/C(=C/c2cccc(OC)c2)SC1=S ZINC000007262439 220990448 /nfs/dbraw/zinc/99/04/48/220990448.db2.gz VZRXQJTTZYPZKP-QINSGFPZSA-N 0 0 379.503 3.630 40 10 GHCBRN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccn3)C2=O)cc1 ZINC000017373749 221384240 /nfs/dbraw/zinc/38/42/40/221384240.db2.gz WWKPVMLLNAWGCL-NTCAYCPXSA-N 0 0 383.498 3.620 40 10 GHCBRN CCN(CC)c1ccc(CNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000193746070 222567171 /nfs/dbraw/zinc/56/71/71/222567171.db2.gz YNNCZUNLBLNXID-UHFFFAOYSA-N 0 0 379.504 3.585 40 10 GHCBRN COc1ccc(NCN2C(=O)/C(=C\c3ccccc3OC)SC2=S)cc1 ZINC000408722191 534185679 /nfs/dbraw/zinc/18/56/79/534185679.db2.gz RASXEGNZGHMMFE-GZTJUZNOSA-N 0 0 386.498 3.975 40 10 GHCBRN CCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)C(=O)N(c2ccccc2)C1=S ZINC000409022435 528162116 /nfs/dbraw/zinc/16/21/16/528162116.db2.gz NULDLRWYUVIRIV-CYVLTUHYSA-N 0 0 393.512 3.706 40 10 GHCBRN CCCN1C(=O)S/C(=C\c2cc(OC)c(N3CCCC3)cc2OC)C1=O ZINC000409093796 528175983 /nfs/dbraw/zinc/17/59/83/528175983.db2.gz AAGDWOSSBGZAQO-BOPFTXTBSA-N 0 0 376.478 3.750 40 10 GHCBRN CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000020450413 570256718 /nfs/dbraw/zinc/25/67/18/570256718.db2.gz XLTZWCAYQOYRAC-NRFANRHFSA-N 0 0 382.504 3.818 40 10 GHCBRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000020480975 570261339 /nfs/dbraw/zinc/26/13/39/570261339.db2.gz GZDCYPYPXWDQKG-JOCHJYFZSA-N 0 0 382.504 3.614 40 10 GHCBRN CCN(CC)c1ccc(/C=C2/NC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000004622890 570388274 /nfs/dbraw/zinc/38/82/74/570388274.db2.gz ZGZRIZLITVYWFX-CAPFRKAQSA-N 0 0 379.529 3.833 40 10 GHCBRN COc1ccc(NC2=NC(=O)C(=Cc3ccc4c(c3)OCO4)S2)c(OC)c1 ZINC000005551726 570445439 /nfs/dbraw/zinc/44/54/39/570445439.db2.gz LUAKQYDWUNHGLF-IUXPMGMMSA-N 0 0 384.413 3.515 40 10 GHCBRN CC(C)C1=NN2C(=NC(=O)/C(=C/c3ccc(Br)cc3)C2=N)S1 ZINC000032109408 570508632 /nfs/dbraw/zinc/50/86/32/570508632.db2.gz PCUJSIXCHFSLCR-XXHWOJSFSA-N 0 0 377.267 3.724 40 10 GHCBRN CCOc1ccc(/C=C2\C(=O)N(c3cccc(OC)c3)C(C)=C2C(=O)OC)cc1 ZINC000032109283 570508777 /nfs/dbraw/zinc/50/87/77/570508777.db2.gz LPSJWNCLAIJHPR-MOSHPQCFSA-N 0 0 393.439 3.971 40 10 GHCBRN COC(=O)c1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1C ZINC000000924726 570538497 /nfs/dbraw/zinc/53/84/97/570538497.db2.gz MLASIDXOVHYGJK-UHFFFAOYSA-N 0 0 381.457 3.605 40 10 GHCBRN O=C(CCSc1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)cc1 ZINC000010113297 570782766 /nfs/dbraw/zinc/78/27/66/570782766.db2.gz YRUDZOMOAKSNIR-UHFFFAOYSA-N 0 0 390.936 3.975 40 10 GHCBRN COCCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(N)cc2)n1 ZINC000004400827 570953399 /nfs/dbraw/zinc/95/33/99/570953399.db2.gz RYHKYWJDESUWAW-UHFFFAOYSA-N 0 0 379.247 3.849 40 10 GHCBRN Cc1ccc(-c2ccc(C=C3C(=O)OC4(CCCC4)OC3=O)o2)cc1[N+](=O)[O-] ZINC000058865866 230940782 /nfs/dbraw/zinc/94/07/82/230940782.db2.gz JAOFLFJOVKXCOD-UHFFFAOYSA-N 0 0 383.356 3.917 40 10 GHCBRN Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 ZINC000409023985 231148958 /nfs/dbraw/zinc/14/89/58/231148958.db2.gz OSUCBFVYJHAZRL-LICLKQGHSA-N 0 0 383.473 3.638 40 10 GHCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1N1CCOCC1 ZINC000409067397 231154058 /nfs/dbraw/zinc/15/40/58/231154058.db2.gz CUCHRHQNGBFKOQ-LDADJPATSA-N 0 0 397.862 3.582 40 10 GHCBRN Cc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1N1CCCC1 ZINC000409081880 231156491 /nfs/dbraw/zinc/15/64/91/231156491.db2.gz LHMMOYBIEBMSNZ-JIHKLPAASA-N 0 0 388.558 3.975 40 10 GHCBRN CC1(c2ccc(Cl)cc2)OC(=O)C(=Cc2ccc([N+](=O)[O-])s2)C(=O)O1 ZINC000001868636 212258387 /nfs/dbraw/zinc/25/83/87/212258387.db2.gz SSBCGWAIELJLRY-UHFFFAOYSA-N 0 0 379.777 3.666 40 10 GHCBRN CN1C(=O)/C(=C\c2ccc(Oc3nc(Cl)ncc3F)cc2)SC1=S ZINC000009310449 221077197 /nfs/dbraw/zinc/07/71/97/221077197.db2.gz QJQIFIJSCYWDDW-IZZDOVSWSA-N 0 0 381.841 3.892 40 10 GHCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cccc(OC)c1OC ZINC000408794562 533268721 /nfs/dbraw/zinc/26/87/21/533268721.db2.gz JOQIDBBGVZHFQA-QINSGFPZSA-N 0 0 397.402 3.720 40 10 GHCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1OC ZINC000408999944 533265551 /nfs/dbraw/zinc/26/55/51/533265551.db2.gz LWVCJLVGGDULNU-UYRXBGFRSA-N 0 0 393.439 3.577 40 10 GHCBRN COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1 ZINC000409342524 533554660 /nfs/dbraw/zinc/55/46/60/533554660.db2.gz DRGPYVGMMDFICS-BOPFTXTBSA-N 0 0 399.493 3.953 40 10 GHCBRN COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)CC2)cc1 ZINC000059317901 136155689 /nfs/dbraw/zinc/15/56/89/136155689.db2.gz XFTPLBXOQQJQLT-MRXNPFEDSA-N 0 0 388.895 3.773 40 10 GHCBRN O=C1[C@H](Cc2ccc3c(c2)OCO3)SC(=S)N1Cc1ccc(F)cc1 ZINC000409160855 534838462 /nfs/dbraw/zinc/83/84/62/534838462.db2.gz JPTCXFWRJCNZLM-INIZCTEOSA-N 0 0 375.446 3.526 40 10 GHCBRN CC(NCC(C)C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000112120146 527538470 /nfs/dbraw/zinc/53/84/70/527538470.db2.gz HECXDQPITMUDFG-CYVLTUHYSA-N 0 0 378.432 3.865 40 10 GHCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(OC)c1O ZINC000408892338 528617568 /nfs/dbraw/zinc/61/75/68/528617568.db2.gz IEKAZGXUKAPEJL-LGMDPLHJSA-N 0 0 379.412 3.668 40 10 GHCBRN CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000019933548 570231234 /nfs/dbraw/zinc/23/12/34/570231234.db2.gz LMQXPBIBERZYFG-SFHVURJKSA-N 0 0 382.504 3.730 40 10 GHCBRN CN(Cc1ccccc1)C(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000004745423 570401708 /nfs/dbraw/zinc/40/17/08/570401708.db2.gz ORRMXCXADSMKSH-XNTDXEJSSA-N 0 0 388.539 3.608 40 10 GHCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cc(C)ccn1 ZINC000222747785 570423821 /nfs/dbraw/zinc/42/38/21/570423821.db2.gz AXQREOQMRQABRU-WOJBJXKFSA-N 0 0 377.517 3.795 40 10 GHCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)NC2CCCC2)C1=O ZINC000005370999 570435243 /nfs/dbraw/zinc/43/52/43/570435243.db2.gz ZDQOIEOOEPCRNC-YYMXQEISSA-N 0 0 386.542 3.893 40 10 GHCBRN O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1CCCC1 ZINC000005370892 570435279 /nfs/dbraw/zinc/43/52/79/570435279.db2.gz LSPWUYCGTQTDBG-ZNXZVAGTSA-N 0 0 386.542 3.847 40 10 GHCBRN CCc1ccccc1NC1=NC(=O)C(=C2c3ccccc3N(C(C)=O)C2=O)S1 ZINC000005373327 570435632 /nfs/dbraw/zinc/43/56/32/570435632.db2.gz VZFUGWUWSOUYFY-ZCXUNETKSA-N 0 0 391.452 3.595 40 10 GHCBRN COC(=O)c1ccc(Cl)c(NC(=S)NCCN(C)c2ccc(C)cc2)c1 ZINC000225796098 570618240 /nfs/dbraw/zinc/61/82/40/570618240.db2.gz YCGPDHZHPMTCML-UHFFFAOYSA-N 0 0 391.924 3.858 40 10 GHCBRN Cc1ccc(N(C)CCNC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000225796342 570618279 /nfs/dbraw/zinc/61/82/79/570618279.db2.gz GLNKXAKBLPATKO-UHFFFAOYSA-N 0 0 382.533 3.545 40 10 GHCBRN COc1ccc(N(C)CCNC(=S)Nc2ccc(OC)c3ncccc23)cc1 ZINC000225799634 570618652 /nfs/dbraw/zinc/61/86/52/570618652.db2.gz AMMVCYVSRLJQNG-UHFFFAOYSA-N 0 0 396.516 3.675 40 10 GHCBRN CCOc1cccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(C)=C2C(=O)OC)c1O ZINC000006964931 570754091 /nfs/dbraw/zinc/75/40/91/570754091.db2.gz WZLIQKBLRLLPMW-AQTBWJFISA-N 0 0 393.439 3.977 40 10 GHCBRN O=C(NN1C(=O)/C(=C\c2ccncc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000007100027 570756713 /nfs/dbraw/zinc/75/67/13/570756713.db2.gz FLHMNTKCDAPEFU-LZYBPNLTSA-N 0 0 399.541 3.530 40 10 GHCBRN COc1c(C(C)C)c(O)c(O)c2c1[C@@H](OC)[C@H]1OC(=O)[C@@]23CCCC(C)(C)[C@H]13 ZINC000067912651 574415417 /nfs/dbraw/zinc/41/54/17/574415417.db2.gz DHNUPRDARUHAJK-IWQHBPENSA-N 0 0 390.476 3.920 40 10 endogenous,in-man GHCBRN