smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C(=O)c2c(C)oc3ccc(O)c(CN4CCOCC4)c32)cc1 ZINC000022779736 844681876 /nfs/dbraw/zinc/68/18/76/844681876.db2.gz PHQWMFMQIDLFFL-UHFFFAOYSA-N 0 0 381.428 3.519 50 10 GHCARN Cc1nonc1N=NN(Cc1cccc(Br)c1)c1nonc1C ZINC000252630270 882759759 /nfs/dbraw/zinc/75/97/59/882759759.db2.gz UYFNYMDGVLLWPG-UHFFFAOYSA-N 0 0 378.190 3.537 50 10 GHCARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(N(C)C)cc2)cc1C ZINC000001185798 203894203 /nfs/dbraw/zinc/89/42/03/203894203.db2.gz JHOTZIFZBXHVEJ-HXUWFJFHSA-N 0 0 394.544 3.801 50 10 GHCARN CCOc1ccc(NC(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 ZINC000001908323 203922284 /nfs/dbraw/zinc/92/22/84/203922284.db2.gz QFGUEQRLTNLBFW-ATVHPVEESA-N 0 0 398.509 3.925 50 10 GHCARN COCCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S ZINC000002986648 203979823 /nfs/dbraw/zinc/97/98/23/203979823.db2.gz LHOKCDLPGVPDCR-GDNBJRDFSA-N 0 0 390.442 3.702 50 10 GHCARN CCOc1ccc(/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)c(OCC)c1 ZINC000004836790 204080372 /nfs/dbraw/zinc/08/03/72/204080372.db2.gz TYDMPYGBOAZXTF-BHFHNPPDSA-N 0 0 390.505 3.564 50 10 GHCARN COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)n3cccc3)CC2)cc1 ZINC000004910850 204089706 /nfs/dbraw/zinc/08/97/06/204089706.db2.gz QWWHKDVCQMSKGJ-HSZRJFAPSA-N 0 0 389.499 3.629 50 10 GHCARN CSC1=NSC2=NC(=O)/C(=C\c3cccn3-c3ccc(F)cc3)C(=N)N12 ZINC000004909253 204089969 /nfs/dbraw/zinc/08/99/69/204089969.db2.gz GEYRMQQZIWAHQD-KWWXOIQGSA-N 0 0 385.449 3.556 50 10 GHCARN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 ZINC000004524876 204051383 /nfs/dbraw/zinc/05/13/83/204051383.db2.gz DTJNVQIJGTVLNT-YBEGLDIGSA-N 0 0 399.830 3.931 50 10 GHCARN CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccc(Br)cc3)C2=N)S1 ZINC000004646044 204059713 /nfs/dbraw/zinc/05/97/13/204059713.db2.gz PCUJSIXCHFSLCR-XZPRFMIFSA-N 0 0 377.267 3.724 50 10 GHCARN Cc1csc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)n1 ZINC000005544122 204138683 /nfs/dbraw/zinc/13/86/83/204138683.db2.gz BQWPUXFPHDBVCT-XYOKQWHBSA-N 0 0 393.515 3.665 50 10 GHCARN Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)no1 ZINC000008725592 204286608 /nfs/dbraw/zinc/28/66/08/204286608.db2.gz DMNWINSXJMCIRT-INIZCTEOSA-N 0 0 398.488 3.756 50 10 GHCARN O=C1c2ccccc2N[C@H](c2cccc(O)c2O)N1c1ccc2c(c1)OCCO2 ZINC000008774433 204290443 /nfs/dbraw/zinc/29/04/43/204290443.db2.gz AYRBMCZQABJOEM-NRFANRHFSA-N 0 0 390.395 3.640 50 10 GHCARN CCOC(=O)/C=C/COc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1C ZINC000011690119 204350532 /nfs/dbraw/zinc/35/05/32/204350532.db2.gz OLLMTUJIUZEQHQ-LLQVVRDRSA-N 0 0 390.439 3.991 50 10 GHCARN CC[C@H](C(=O)NCc1ccc(N(C)C)cc1)N1c2ccccc2CCCC1=O ZINC000021870961 204766064 /nfs/dbraw/zinc/76/60/64/204766064.db2.gz WLQZHBSKORAAOV-HXUWFJFHSA-N 0 0 379.504 3.517 50 10 GHCARN CN(C)c1ccc(CN(C)C(=O)c2ccccc2I)cc1 ZINC000039975992 204868107 /nfs/dbraw/zinc/86/81/07/204868107.db2.gz QIEDBZFVCUGPFO-UHFFFAOYSA-N 0 0 394.256 3.629 50 10 GHCARN CCc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)cc1 ZINC000035527523 204993132 /nfs/dbraw/zinc/99/31/32/204993132.db2.gz FOAFJDGQZCPOEZ-UHFFFAOYSA-N 0 0 382.485 3.638 50 10 GHCARN CN(C)c1ccc(CN(C)C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1 ZINC000040104793 205052091 /nfs/dbraw/zinc/05/20/91/205052091.db2.gz HQTHGIPFVBOGCD-UHFFFAOYSA-N 0 0 380.492 3.653 50 10 GHCARN CN(C)c1ccc(/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)cc1 ZINC000033334471 206098993 /nfs/dbraw/zinc/09/89/93/206098993.db2.gz YBNWLXOEZBMKJB-CKLXWILVSA-N 0 0 395.513 3.676 50 10 GHCARN Cc1ccsc1/C=C1/SC(N2CCN(Cc3ccccc3)CC2)=NC1=O ZINC000096346681 206123573 /nfs/dbraw/zinc/12/35/73/206123573.db2.gz OPLXTGJHBPVMKV-QGOAFFKASA-N 0 0 383.542 3.845 50 10 GHCARN COc1ccc(N2CCOCC2)c(NC(=O)COc2ccc(Cl)c(C)c2)c1 ZINC000007496986 221000343 /nfs/dbraw/zinc/00/03/43/221000343.db2.gz SQLQXWPRYXJAJW-UHFFFAOYSA-N 0 0 390.867 3.511 50 10 GHCARN Cc1ccc(OCc2nc(CC(=O)NCc3ccc(N(C)C)cc3)cs2)cc1 ZINC000012554567 221205869 /nfs/dbraw/zinc/20/58/69/221205869.db2.gz RHPXNSBFNKBCDZ-UHFFFAOYSA-N 0 0 395.528 3.955 50 10 GHCARN O=C(C1=CN(c2cccc(F)c2)c2ccccc2S1(=O)=O)N1CCCCC1 ZINC000048988471 132434818 /nfs/dbraw/zinc/43/48/18/132434818.db2.gz YBNLFBWGHCAIBY-UHFFFAOYSA-N 0 0 386.448 3.605 50 10 GHCARN Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCN(c2ccccc2)CC1 ZINC000007129506 136195180 /nfs/dbraw/zinc/19/51/80/136195180.db2.gz NWQUVSGJAUFERI-UHFFFAOYSA-N 0 0 392.528 3.528 50 10 GHCARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1cccc([N+](=O)[O-])c1 ZINC000000842820 570226112 /nfs/dbraw/zinc/22/61/12/570226112.db2.gz CSSPIWQNJFMNBN-GFCCVEGCSA-N 0 0 383.356 3.699 50 10 GHCARN CN(C)c1ccc([C@H]2SCCN2C(=O)c2cc3ccccc3oc2=O)cc1 ZINC000000863327 570227252 /nfs/dbraw/zinc/22/72/52/570227252.db2.gz KTXUPCOVVXPAAI-HXUWFJFHSA-N 0 0 380.469 3.747 50 10 GHCARN CC(C)CCN(C[C@H]1CN(Cc2ccccc2O)CCO1)C(=O)c1ccccc1 ZINC000034686578 570295969 /nfs/dbraw/zinc/29/59/69/570295969.db2.gz XOXFQMOBFSZXTP-JOCHJYFZSA-N 0 0 396.531 3.782 50 10 GHCARN O=C1C(=CNOCc2ccc(Cl)cc2Cl)C=NN1c1cccc(Cl)n1 ZINC000015953328 570299931 /nfs/dbraw/zinc/29/99/31/570299931.db2.gz ZOVJRGPHVSEDBB-FLIBITNWSA-N 0 0 397.649 3.980 50 10 GHCARN O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1CN1CCCC1 ZINC000027830633 570444333 /nfs/dbraw/zinc/44/43/33/570444333.db2.gz FLVWBIFESXOOBP-LCYFTJDESA-N 0 0 383.336 3.704 50 10 GHCARN CC1=C(C(=O)O[C@@H]2CC[C@H](C)[C@H](C)C2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 ZINC000102060666 570542541 /nfs/dbraw/zinc/54/25/41/570542541.db2.gz PGIBQQKMAPFGKC-GOYGXENFSA-N 0 0 385.508 3.748 50 10 GHCARN CC1=NN(c2ccc(C(=O)OC(C)C)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000005657165 570679975 /nfs/dbraw/zinc/67/99/75/570679975.db2.gz DPVWHQVYVQUHIV-UNOMPAQXSA-N 0 0 393.399 3.966 50 10 GHCARN Cc1c(Cl)cccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(C)C)cc1 ZINC000000976031 570741681 /nfs/dbraw/zinc/74/16/81/570741681.db2.gz SYUVIODKKFKXAV-LJQANCHMSA-N 0 0 398.894 3.981 50 10 GHCARN COc1ccc(/C=C2\SC(N3CCc4ccccc4C3)=NC2=O)cc1OC ZINC000013496608 570756211 /nfs/dbraw/zinc/75/62/11/570756211.db2.gz FGUCSSWHLIZSDL-UNOMPAQXSA-N 0 0 380.469 3.732 50 10 GHCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3O)C2=O)cc1 ZINC000013785672 570790425 /nfs/dbraw/zinc/79/04/25/570790425.db2.gz NBZXQYBPOUZITD-ATVHPVEESA-N 0 0 398.509 3.931 50 10 GHCARN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000007129210 570800232 /nfs/dbraw/zinc/80/02/32/570800232.db2.gz HESLBNVMFGBWST-UHFFFAOYSA-N 0 0 381.457 3.589 50 10 GHCARN CCOC(=O)CCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](CC)C2 ZINC000022330316 570886247 /nfs/dbraw/zinc/88/62/47/570886247.db2.gz MBHHABYHJNLYCS-LBPRGKRZSA-N 0 0 381.494 3.722 50 10 GHCARN Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N(C)C3CCC(C)CC3)sc2n1 ZINC000014152053 570903504 /nfs/dbraw/zinc/90/35/04/570903504.db2.gz VVCMHIYFJVSYBT-UHFFFAOYSA-N 0 0 389.521 3.689 50 10 GHCARN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc2c(s1)CCCC2 ZINC000084341318 571013343 /nfs/dbraw/zinc/01/33/43/571013343.db2.gz PZEVFBPOTXAIGG-UHFFFAOYSA-N 0 0 388.508 3.657 50 10 GHCARN Cc1cc(C(=O)N2CCC[N@@H+](C)CC2)c(C)n1-c1ccc(Br)cc1 ZINC000097024607 861092975 /nfs/dbraw/zinc/09/29/75/861092975.db2.gz ZNFRNXGICOBWSO-UHFFFAOYSA-N 0 0 390.325 3.634 50 10 GHCARN COc1ccc(C(=O)C2CCN(C(=O)C=Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC000096983335 915318577 /nfs/dbraw/zinc/31/85/77/915318577.db2.gz QVWLDWGZDATLCH-MLPAPPSSSA-N 0 0 392.499 3.896 50 10 GHCARN CC(C)(C)c1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc1 ZINC000096935903 203834280 /nfs/dbraw/zinc/83/42/80/203834280.db2.gz ZHSBRVKFPTUJLO-SAPNQHFASA-N 0 0 390.574 3.518 50 10 GHCARN O=C1N=C(N2CCOCC2)S/C1=C/c1ccccc1OCc1ccccc1 ZINC000000851134 203859560 /nfs/dbraw/zinc/85/95/60/203859560.db2.gz CUAUJYOXSVQCDG-XMHGGMMESA-N 0 0 380.469 3.568 50 10 GHCARN O=C(NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccs1 ZINC000004086359 204026954 /nfs/dbraw/zinc/02/69/54/204026954.db2.gz RIHJVVHRLYBWEP-UHFFFAOYSA-N 0 0 392.461 3.650 50 10 GHCARN O=C(Nc1cccc(F)c1)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000004694295 204065576 /nfs/dbraw/zinc/06/55/76/204065576.db2.gz GVRQFQCNYYWMNG-UHFFFAOYSA-N 0 0 390.326 3.762 50 10 GHCARN O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)NC1CCCCC1 ZINC000004860395 204083796 /nfs/dbraw/zinc/08/37/96/204083796.db2.gz HWVMNNCIPNQGEW-KAMYIIQDSA-N 0 0 380.560 3.788 50 10 GHCARN Cc1ccc(C)n1-c1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1 ZINC000004541434 204051009 /nfs/dbraw/zinc/05/10/09/204051009.db2.gz IPEJQJZTBCPMRD-UHFFFAOYSA-N 0 0 379.441 3.521 50 10 GHCARN COc1cc(OC)c(OC)cc1/C=C1\SC(N2CCCCCC2)=NC1=O ZINC000004576150 204054961 /nfs/dbraw/zinc/05/49/61/204054961.db2.gz AWAXKEUMCIXDRJ-BOPFTXTBSA-N 0 0 376.478 3.559 50 10 GHCARN CN(C)c1ccc(/C=C2\C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)cc1 ZINC000004618444 204058263 /nfs/dbraw/zinc/05/82/63/204058263.db2.gz YBNWLXOEZBMKJB-DGBANISESA-N 0 0 395.513 3.676 50 10 GHCARN COc1ccc(OCCOc2cccc(C=C3SC(=S)NC3=O)c2)cc1 ZINC000005102380 204111331 /nfs/dbraw/zinc/11/13/31/204111331.db2.gz PKHGTXCIAYEUJW-ATVHPVEESA-N 0 0 387.482 3.642 50 10 GHCARN CN(C)c1cc(Nc2ccc(F)cc2)c2c(c1N)C(=O)c1ccccc1C2=O ZINC000005482724 204135130 /nfs/dbraw/zinc/13/51/30/204135130.db2.gz PUZYLIYDHPZCOG-UHFFFAOYSA-N 0 0 375.403 3.993 50 10 GHCARN COc1ccc(-n2c(C)cc(C(=O)OCC(=O)Nc3ccccc3)c2C)cc1 ZINC000007225946 204236216 /nfs/dbraw/zinc/23/62/16/204236216.db2.gz ZZSJPIFEHSAAKO-UHFFFAOYSA-N 0 0 378.428 3.898 50 10 GHCARN Cc1ccc(C)n1-c1ccc(NC(=O)CCc2c(C)nc3ncnn3c2C)cc1 ZINC000007273880 204237035 /nfs/dbraw/zinc/23/70/35/204237035.db2.gz AZPCIPKRTXNTTP-UHFFFAOYSA-N 0 0 388.475 3.720 50 10 GHCARN O=C(CCCn1cncn1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000048364047 205121473 /nfs/dbraw/zinc/12/14/73/205121473.db2.gz YFIVXNDJJMONHM-QHCPKHFHSA-N 0 0 386.455 3.823 50 10 GHCARN CC(=O)N1CCC2(CC1)N=C(c1ccc(C)cc1)C[C@@H](c1ccccc1O)N2 ZINC000065297874 205227873 /nfs/dbraw/zinc/22/78/73/205227873.db2.gz NDUODOFSLBBQEN-NRFANRHFSA-N 0 0 377.488 3.563 50 10 biogenic GHCARN Cc1ccc(O)c(CN2CCCn3nc(C(=O)Nc4ccccc4)cc3C2)c1 ZINC000065493172 205236947 /nfs/dbraw/zinc/23/69/47/205236947.db2.gz NUFHJTTZPVNUIY-UHFFFAOYSA-N 0 0 376.460 3.555 50 10 GHCARN COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C(=NNc2ccc(C)cc2)C1=O ZINC000098212050 205602211 /nfs/dbraw/zinc/60/22/11/205602211.db2.gz DFCSJTJPUNRYCK-QURGRASLSA-N 0 0 378.388 3.757 50 10 GHCARN COc1ccc(-c2cnc(SCC(=O)NCc3ccccc3OC)n2C)cc1 ZINC000007423690 205786412 /nfs/dbraw/zinc/78/64/12/205786412.db2.gz ZGMYRPJDYILRRU-UHFFFAOYSA-N 0 0 397.500 3.513 50 10 GHCARN CCN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)C(=O)N(CC)C1=S ZINC000005795146 205771563 /nfs/dbraw/zinc/77/15/63/205771563.db2.gz PTFALSQCSCXYPT-UHFFFAOYSA-N 0 0 388.876 3.979 50 10 GHCARN Cc1cc(C)c(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)cc1C ZINC000098002424 206124162 /nfs/dbraw/zinc/12/41/62/206124162.db2.gz HLVPDIXHJNCVGR-QGOAFFKASA-N 0 0 390.574 3.535 50 10 GHCARN Cc1cc(C2=NNC(=NC[C@H]3CCCO3)SC2)c(C)n1-c1ccc(F)cc1 ZINC000007985349 221019286 /nfs/dbraw/zinc/01/92/86/221019286.db2.gz CZZJXSDVDWQZIW-QGZVFWFLSA-N 0 0 386.496 3.809 50 10 GHCARN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccs1 ZINC000000681188 570217058 /nfs/dbraw/zinc/21/70/58/570217058.db2.gz HEUMLELVBKUANX-PTNGSMBKSA-N 0 0 385.441 3.643 50 10 GHCARN Cc1ccc(C(=O)CN2C(=O)SC(=Cc3ccc(N(C)C)cc3)C2=O)cc1 ZINC000000976760 570232576 /nfs/dbraw/zinc/23/25/76/570232576.db2.gz XSFQJXIPJRXINO-UNOMPAQXSA-N 0 0 380.469 3.980 50 10 GHCARN COc1ccc(C(=O)NN2C(=O)/C(=C\c3sccc3C)SC2=S)cc1 ZINC000001412543 570262516 /nfs/dbraw/zinc/26/25/16/570262516.db2.gz NAYYMERHHDWOFA-NTEUORMPSA-N 0 0 390.511 3.611 50 10 GHCARN COc1cc2c(cc1OC)CN(Cc1cc(Cl)cc(C(C)=O)c1O)CC2 ZINC000097395026 570526502 /nfs/dbraw/zinc/52/65/02/570526502.db2.gz MDKOQODJBOIISL-UHFFFAOYSA-N 0 0 375.852 3.824 50 10 GHCARN COc1cccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)c1O ZINC000097552262 570549048 /nfs/dbraw/zinc/54/90/48/570549048.db2.gz FIYPCQKNWCYPAU-UHFFFAOYSA-N 0 0 383.370 3.807 50 10 GHCARN Cc1ccn(-c2ccccc2CNC(=O)c2cc(C)n(-c3ccccn3)c2C)n1 ZINC000151967755 570622893 /nfs/dbraw/zinc/62/28/93/570622893.db2.gz IQJPXQADZUIIFV-UHFFFAOYSA-N 0 0 385.471 3.913 50 10 GHCARN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000857517 570664002 /nfs/dbraw/zinc/66/40/02/570664002.db2.gz XJAFOYFKSLLAQT-UHFFFAOYSA-N 0 0 383.356 3.999 50 10 GHCARN CCOC(=O)c1sc2nc(N3CCCCC3)c3c(c2c1N)CC(C)(C)OC3 ZINC000013775174 570789359 /nfs/dbraw/zinc/78/93/59/570789359.db2.gz DMWFSRNRABKAON-UHFFFAOYSA-N 0 0 389.521 3.897 50 10 GHCARN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1cccs1 ZINC000013942084 570806981 /nfs/dbraw/zinc/80/69/81/570806981.db2.gz SXPZVVLYVCSCNQ-NTEUORMPSA-N 0 0 391.495 3.807 50 10 GHCARN COc1cc2c(cc1NCC(=O)Nc1ccc(C(N)=O)cc1)oc1ccccc12 ZINC000012563606 570868825 /nfs/dbraw/zinc/86/88/25/570868825.db2.gz LNABRWPAUGOVDM-UHFFFAOYSA-N 0 0 389.411 3.744 50 10 GHCARN COc1ccc([C@H]2CC(c3cc(Br)ccc3O)=NN2C(C)=O)cc1 ZINC000097104970 570894155 /nfs/dbraw/zinc/89/41/55/570894155.db2.gz PWARDDMHUPFRJP-QGZVFWFLSA-N 0 0 389.249 3.861 50 10 GHCARN CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCC ZINC000015685515 570901951 /nfs/dbraw/zinc/90/19/51/570901951.db2.gz QYYJFCVUBSPYNK-XFFZJAGNSA-N 0 0 388.308 3.735 50 10 GHCARN Cc1nn(CN(C)Cc2ccc(N3CCCCC3)cc2)c(=O)c2ccccc12 ZINC000014215410 570904140 /nfs/dbraw/zinc/90/41/40/570904140.db2.gz SVMZDEYEAKSFID-UHFFFAOYSA-N 0 0 376.504 3.785 50 10 GHCARN CN1CCCc2cc([C@H](CNC(=O)CCC3CCCC3)N3CCOCC3)ccc21 ZINC000016838258 570912554 /nfs/dbraw/zinc/91/25/54/570912554.db2.gz QLNKECWEEXVNHZ-QHCPKHFHSA-N 0 0 399.579 3.529 50 10 GHCARN CCOc1ccc(/C=C2\SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)c(OCC)c1 ZINC000001246487 570949759 /nfs/dbraw/zinc/94/97/59/570949759.db2.gz TYDMPYGBOAZXTF-GBBOCIJVSA-N 0 0 390.505 3.564 50 10 GHCARN N=C1/C(=C/c2ccc(OC(=O)c3ccccc3F)cc2)C(=O)N=C2SC=CN21 ZINC000004906732 843017710 /nfs/dbraw/zinc/01/77/10/843017710.db2.gz QPSYKSOQYUOYTQ-OTLVRQKTSA-N 0 0 393.399 3.822 50 10 GHCARN COc1ccc(C=C2SC(=S)NC2=O)cc1OC(=O)c1ccc(C)cc1 ZINC000002792923 861629134 /nfs/dbraw/zinc/62/91/34/861629134.db2.gz SIZQKGNPASUHPG-YBEGLDIGSA-N 0 0 385.466 3.712 50 10 GHCARN Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000002449810 859504494 /nfs/dbraw/zinc/50/44/94/859504494.db2.gz LVZATGIVXLVSBI-ZMWDXYKNSA-N 0 0 383.864 3.997 50 10 GHCARN COc1cccc(OCCOc2cccc(C=C3SC(=S)NC3=O)c2)c1 ZINC000013940186 860270069 /nfs/dbraw/zinc/27/00/69/860270069.db2.gz ANDCOMOYJGXFSD-BOPFTXTBSA-N 0 0 387.482 3.642 50 10 GHCARN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000020978803 860687517 /nfs/dbraw/zinc/68/75/17/860687517.db2.gz AOAWPFIWLFVDEJ-UHFFFAOYSA-N 0 0 399.516 3.757 50 10 GHCARN CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)N2CCCC2)cc1 ZINC000254467452 1021179732 /nfs/dbraw/zinc/17/97/32/1021179732.db2.gz NRTRCBSHYYCHQV-UHFFFAOYSA-N 0 0 380.448 3.947 50 10 GHCARN CCCOc1cc(/C=C2/SC(=S)N(CCCOC)C2=O)ccc1OC ZINC000096930821 203834693 /nfs/dbraw/zinc/83/46/93/203834693.db2.gz WNINBCIBZNIPFH-FOWTUZBSSA-N 0 0 381.519 3.722 50 10 GHCARN CCN1C(=O)/C(=C/c2cc(Br)c(OC)c(OC)c2)SC1=S ZINC000001160842 203891675 /nfs/dbraw/zinc/89/16/75/203891675.db2.gz YOAQPZVESJVYII-XFFZJAGNSA-N 0 0 388.308 3.687 50 10 GHCARN Cc1cc(C(=O)OCC(=O)NCc2ccc(F)cc2)c(C)n1-c1ccccc1 ZINC000004835387 204080739 /nfs/dbraw/zinc/08/07/39/204080739.db2.gz QQUDEBCYGWURHZ-UHFFFAOYSA-N 0 0 380.419 3.706 50 10 GHCARN CC1=CSC2=NC(=O)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=N)N12 ZINC000004909206 204090284 /nfs/dbraw/zinc/09/02/84/204090284.db2.gz CQWDVEJGEUPBFS-QBIJJOOHSA-N 0 0 379.401 3.552 50 10 GHCARN COc1cc(OC)cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC000005198010 204117385 /nfs/dbraw/zinc/11/73/85/204117385.db2.gz OAVRTXFIBDOFBA-UHFFFAOYSA-N 0 0 387.391 3.732 50 10 GHCARN CCOC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccccc1OCC ZINC000005186160 204118231 /nfs/dbraw/zinc/11/82/31/204118231.db2.gz WGACKOGILDCENA-LGMDPLHJSA-N 0 0 381.388 3.774 50 10 GHCARN CCCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S ZINC000005892295 204155909 /nfs/dbraw/zinc/15/59/09/204155909.db2.gz MGIXZFXLRYXHLK-NTCAYCPXSA-N 0 0 379.503 3.630 50 10 GHCARN O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1O ZINC000006227934 204171701 /nfs/dbraw/zinc/17/17/01/204171701.db2.gz GGEMCFKZONIVOE-GXDHUFHOSA-N 0 0 390.511 3.684 50 10 GHCARN Cc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1-c1ccccc1F ZINC000006383836 204176887 /nfs/dbraw/zinc/17/68/87/204176887.db2.gz XSOLRYHQVGTWMG-UHFFFAOYSA-N 0 0 376.387 3.712 50 10 GHCARN CN(C)c1ccc(CN(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000008777018 204289365 /nfs/dbraw/zinc/28/93/65/204289365.db2.gz UGHUHNRODOAMSQ-UHFFFAOYSA-N 0 0 396.491 3.536 50 10 GHCARN Cc1cc(C(=O)CSc2nnnn2C2CCCC2)c(C)n1-c1ccccn1 ZINC000008026875 204259605 /nfs/dbraw/zinc/25/96/05/204259605.db2.gz FZCPTTFZJWXERP-UHFFFAOYSA-N 0 0 382.493 3.566 50 10 GHCARN CCCn1c(=O)[nH]nc1SCC(=O)c1cc(C)n(-c2ccccc2F)c1C ZINC000009245704 204304610 /nfs/dbraw/zinc/30/46/10/204304610.db2.gz MBYBDVSXKUJBRS-UHFFFAOYSA-N 0 0 388.468 3.503 50 10 GHCARN COc1cc2c(cc1NCC(=O)NC(=O)NC1CCCC1)oc1ccccc12 ZINC000011619341 204348206 /nfs/dbraw/zinc/34/82/06/204348206.db2.gz AMJJKVLFRACKHE-UHFFFAOYSA-N 0 0 381.432 3.775 50 10 GHCARN Cc1cc(C(=O)Cn2nc(-c3ccco3)oc2=O)c(C)n1-c1cccc(C)c1 ZINC000058367804 205173901 /nfs/dbraw/zinc/17/39/01/205173901.db2.gz YWYJBHOIPNLTRY-UHFFFAOYSA-N 0 0 377.400 3.695 50 10 GHCARN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)cc1 ZINC000033690534 206099082 /nfs/dbraw/zinc/09/90/82/206099082.db2.gz NCWYDSBHJBOROP-WJDWOHSUSA-N 0 0 376.478 3.521 50 10 GHCARN CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3ccc(O)c(OCC)c3)C2=O)cc1 ZINC000001010729 570235288 /nfs/dbraw/zinc/23/52/88/570235288.db2.gz LOSWVBTWKYPLFH-LDADJPATSA-N 0 0 394.427 3.774 50 10 GHCARN CCOC(=O)c1cccc(-n2c(C)cc(C=C3SC(=S)NC3=O)c2C)c1 ZINC000001178781 570254936 /nfs/dbraw/zinc/25/49/36/570254936.db2.gz CBFXFFWSPHQLJU-MHWRWJLKSA-N 0 0 386.498 3.760 50 10 GHCARN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(N(C)C)cc1 ZINC000005764748 570276240 /nfs/dbraw/zinc/27/62/40/570276240.db2.gz JNQIBYMAVCCBHB-CPNJWEJPSA-N 0 0 380.419 3.769 50 10 GHCARN CCCCC1(CC(=O)OC)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000003000259 570325448 /nfs/dbraw/zinc/32/54/48/570325448.db2.gz DPHABMIJTRUVEF-UHFFFAOYSA-N 0 0 380.444 3.721 50 10 GHCARN CCOCCCN1C(=O)CC[C@@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CC[C@@H]21 ZINC000011838481 570437436 /nfs/dbraw/zinc/43/74/36/570437436.db2.gz FMRWGYUOTJKQBB-KNQAVFIVSA-N 0 0 396.531 3.785 50 10 GHCARN COc1ccc(N2CCN(C(=O)CSCc3ccccc3Cl)CC2)cc1 ZINC000002964826 570524978 /nfs/dbraw/zinc/52/49/78/570524978.db2.gz CYMPVDJGFGRDOA-UHFFFAOYSA-N 0 0 390.936 3.931 50 10 GHCARN CC(=C\c1ccccc1)/C=C1\SC(=S)N(NC(=O)c2ccncc2)C1=O ZINC000005296920 570549266 /nfs/dbraw/zinc/54/92/66/570549266.db2.gz QLZMBBWAMXJYKC-DXHZZVMKSA-N 0 0 381.482 3.574 50 10 GHCARN COC(=O)C1=CN(c2ccc(C)c(C)c2)c2cc(F)c(F)cc2S1(=O)=O ZINC000035462700 570553037 /nfs/dbraw/zinc/55/30/37/570553037.db2.gz XZQTUACVLVFJSO-UHFFFAOYSA-N 0 0 379.384 3.521 50 10 GHCARN CC(=O)N1c2ccccc2C(=C2SC(Nc3ccc(Cl)cc3)=NC2=O)C1=O ZINC000013778042 570789945 /nfs/dbraw/zinc/78/99/45/570789945.db2.gz UXKHXBAGZOVEJL-NXVVXOECSA-N 0 0 397.843 3.686 50 10 GHCARN CC(=O)c1ccc(N2CCN(Cc3c(O)ccc4ccncc43)CC2)c(F)c1 ZINC000012517621 570826580 /nfs/dbraw/zinc/82/65/80/570826580.db2.gz JXFLAHSSAMRGGN-UHFFFAOYSA-N 0 0 379.435 3.604 50 10 GHCARN CCc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3O)C2=O)cc1 ZINC000015799933 570905091 /nfs/dbraw/zinc/90/50/91/570905091.db2.gz MLWXOPTYDBELFI-GZTJUZNOSA-N 0 0 398.509 3.795 50 10 GHCARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000016400273 570924178 /nfs/dbraw/zinc/92/41/78/570924178.db2.gz LTXCGZGDSCCXTK-ZROIWOOFSA-N 0 0 387.398 3.909 50 10 GHCARN CC(=O)N1CCN(C(=S)c2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000001307088 570957404 /nfs/dbraw/zinc/95/74/04/570957404.db2.gz ZMRBDOONPJUPJT-UHFFFAOYSA-N 0 0 393.306 3.549 50 10 GHCARN CN(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000004745546 570960340 /nfs/dbraw/zinc/96/03/40/570960340.db2.gz HYEIEZAIJPHJJM-FOWTUZBSSA-N 0 0 386.498 3.530 50 10 GHCARN Cc1cccc(C2=NN3C(=NC(=O)/C(=C/c4ccc(N(C)C)cc4)C3=N)S2)c1 ZINC000004845603 842675069 /nfs/dbraw/zinc/67/50/69/842675069.db2.gz WLSUCYAKNUSPQJ-ACUDIFQKSA-N 0 0 389.484 3.728 50 10 GHCARN CCCCn1c(=O)c2sccc2nc1SCC(=O)c1ccc(O)c(O)c1 ZINC000002909309 861777172 /nfs/dbraw/zinc/77/71/72/861777172.db2.gz VFOREMAZXBGDOF-UHFFFAOYSA-N 0 0 390.486 3.644 50 10 GHCARN COc1ccc(CN2CC(=O)N(c3cc(Cl)ccc3C)C2=S)cc1OC ZINC000003033702 862130628 /nfs/dbraw/zinc/13/06/28/862130628.db2.gz ZSEWSMQBEGXYAL-UHFFFAOYSA-N 0 0 390.892 3.799 50 10 GHCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C\c4ccc(N(C)C)cc4)C3=N)S2)cc1 ZINC000027546762 855183454 /nfs/dbraw/zinc/18/34/54/855183454.db2.gz BNDURNVGBVMDKH-SABKFZPKSA-N 0 0 389.484 3.728 50 10 GHCARN COCC(=O)Nc1cccc(NC(=O)Cc2ccc(-n3c(C)ccc3C)cc2)c1 ZINC000040158002 856688904 /nfs/dbraw/zinc/68/89/04/856688904.db2.gz LYWHGZOVKFLYAM-UHFFFAOYSA-N 0 0 391.471 3.860 50 10 GHCARN COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2C)C1=O ZINC000002446031 859303387 /nfs/dbraw/zinc/30/33/87/859303387.db2.gz PQUMTDRWERLVRY-WJDWOHSUSA-N 0 0 384.482 3.550 50 10 GHCARN Cc1oc2ccc(O)c(CN3CCOCC3)c2c1C(=O)Nc1ccc(C)cc1 ZINC000019794006 860370094 /nfs/dbraw/zinc/37/00/94/860370094.db2.gz OJGIPEYIYDWOGZ-UHFFFAOYSA-N 0 0 380.444 3.840 50 10 GHCARN COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)c2C)c1 ZINC000020236965 860522887 /nfs/dbraw/zinc/52/28/87/860522887.db2.gz KZRSNEZWODLXOD-CMVSNXJPSA-N 0 0 376.416 3.553 50 10 GHCARN O=C(/C=C\c1cnccn1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000222104177 222605662 /nfs/dbraw/zinc/60/56/62/222605662.db2.gz MFIUHUJPWJCSDJ-UTCJRWHESA-N 0 0 379.441 3.556 50 10 GHCARN CCN(CC)c1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(OC)c1 ZINC000000639619 203844726 /nfs/dbraw/zinc/84/47/26/203844726.db2.gz BKOYGRNNCBUZIR-DEDYPNTBSA-N 0 0 393.487 3.943 50 10 GHCARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2)C1=O ZINC000004457096 204045371 /nfs/dbraw/zinc/04/53/71/204045371.db2.gz JEWXWNNYVNMTQJ-INQVIGDZSA-N 0 0 388.489 3.665 50 10 GHCARN CCOC(=O)[C@@H]1CCCN(C2=NC(=O)/C(=C\c3ccc(Cl)cc3)S2)C1 ZINC000004580514 204054679 /nfs/dbraw/zinc/05/46/79/204054679.db2.gz LLFQUIJEQNOOTM-QQFZQELXSA-N 0 0 378.881 3.585 50 10 GHCARN CCc1ccc([C@@H]2CC(=O)NC(NC(=O)c3ccc(C(C)(C)C)cc3)=N2)cc1 ZINC000006817826 204211613 /nfs/dbraw/zinc/21/16/13/204211613.db2.gz ROEHFTWOKJSRCS-IBGZPJMESA-N 0 0 377.488 3.894 50 10 GHCARN Cc1cc(C(=O)CSc2nc[nH]n2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000006477143 204179639 /nfs/dbraw/zinc/17/96/39/204179639.db2.gz WUXKZMQSSHHVJY-UHFFFAOYSA-N 0 0 378.404 3.789 50 10 GHCARN CN(C)c1cc(NCCc2ccccc2)c2c(c1N)C(=O)c1ccccc1C2=O ZINC000006664852 204190042 /nfs/dbraw/zinc/19/00/42/204190042.db2.gz HHQWHBLNOVHEPJ-UHFFFAOYSA-N 0 0 385.467 3.765 50 10 GHCARN C[C@@H]1CCCN(c2cc(NCCO)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000006737953 204196910 /nfs/dbraw/zinc/19/69/10/204196910.db2.gz RYPYOYGTRPNZAU-CYBMUJFWSA-N 0 0 377.444 3.680 50 10 GHCARN C[N@H+](Cc1ccccc1)Cc1c([O-])c(C(=O)N2CCOCC2)cc2ccccc21 ZINC000007814629 204252286 /nfs/dbraw/zinc/25/22/86/204252286.db2.gz QBGYHVOBVSCCJW-UHFFFAOYSA-N 0 0 390.483 3.650 50 10 GHCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccn3)C2=O)cc1 ZINC000008656974 204283913 /nfs/dbraw/zinc/28/39/13/204283913.db2.gz WWKPVMLLNAWGCL-QINSGFPZSA-N 0 0 383.498 3.620 50 10 GHCARN CN(C)c1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 ZINC000009232510 204303447 /nfs/dbraw/zinc/30/34/47/204303447.db2.gz KLEKCVFPEXBGOM-LICLKQGHSA-N 0 0 384.482 3.887 50 10 GHCARN COc1cccc(NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC000009422541 204310873 /nfs/dbraw/zinc/31/08/73/204310873.db2.gz HCPVACTUZFMELD-UHFFFAOYSA-N 0 0 386.407 3.521 50 10 GHCARN Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)N(C)c3ccccc3)sc2n1 ZINC000010645097 204336973 /nfs/dbraw/zinc/33/69/73/204336973.db2.gz MKDUEDVNWONKFX-ZDUSSCGKSA-N 0 0 383.473 3.704 50 10 GHCARN CCc1cc(=O)oc2c1ccc([O-])c2C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000057140833 205155228 /nfs/dbraw/zinc/15/52/28/205155228.db2.gz HIAAXAVZVZQMPG-UHFFFAOYSA-N 0 0 392.499 3.815 50 10 GHCARN COc1ccc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 ZINC000006090641 205772727 /nfs/dbraw/zinc/77/27/27/205772727.db2.gz VLRIJDBCKNRQRX-NTEUORMPSA-N 0 0 390.511 3.597 50 10 GHCARN Cc1cc(C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)c(C)n1-c1ccccc1C ZINC000225432680 206047322 /nfs/dbraw/zinc/04/73/22/206047322.db2.gz VHHVGZHOCGMHFG-PGRDOPGGSA-N 0 0 392.503 3.644 50 10 GHCARN CC1CCN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CC1 ZINC000098003909 206124368 /nfs/dbraw/zinc/12/43/68/206124368.db2.gz QOROVKPPKHFKKN-VBKFSLOCSA-N 0 0 392.521 3.676 50 10 GHCARN Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)Nc3ccccc3C)sc2n1 ZINC000012553885 221206056 /nfs/dbraw/zinc/20/60/56/221206056.db2.gz SMUQTKJNDYIUTI-CYBMUJFWSA-N 0 0 383.473 3.988 50 10 GHCARN COC(=O)c1ccc(COc2ccccc2C=C2SC(=S)NC2=O)cc1 ZINC000003321824 522046625 /nfs/dbraw/zinc/04/66/25/522046625.db2.gz WQGWKTPUXTYOLE-MHWRWJLKSA-N 0 0 385.466 3.541 50 10 GHCARN CCCc1cc2c(-c3ccccc3)cc(=O)oc2c(C[NH+]2CCN(C)CC2)c1[O-] ZINC000019908970 570229122 /nfs/dbraw/zinc/22/91/22/570229122.db2.gz CAGDMNJGCTYLMC-UHFFFAOYSA-N 0 0 392.499 3.866 50 10 GHCARN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000001053666 570239035 /nfs/dbraw/zinc/23/90/35/570239035.db2.gz JFUDGYPYMPAAHQ-PDGQHHTCSA-N 0 0 395.455 3.978 50 10 GHCARN COc1ccc(N=Cc2c(C)[n-]n(-c3ccc(C)cc3C)c2=O)c([N+](=O)[O-])c1 ZINC000100507702 570272895 /nfs/dbraw/zinc/27/28/95/570272895.db2.gz XYDHWHCYQKRAMV-LFIBNONCSA-N 0 0 380.404 3.939 50 10 GHCARN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(OC)c1O ZINC000002301337 570281612 /nfs/dbraw/zinc/28/16/12/570281612.db2.gz QWDBXVDVUGUHMA-ATVHPVEESA-N 0 0 379.412 3.586 50 10 GHCARN COc1ccc(N2CCN(CC(=O)c3c[nH]c4ccc(OC)cc34)C[C@H]2C)cc1 ZINC000035369235 570344198 /nfs/dbraw/zinc/34/41/98/570344198.db2.gz YCSNFBNKAMBTGJ-MRXNPFEDSA-N 0 0 393.487 3.579 50 10 GHCARN COc1cccc(-n2c(C)cc(C(=O)Nc3cnc4c(c3)c(C)nn4C)c2C)c1 ZINC000024465125 570384223 /nfs/dbraw/zinc/38/42/23/570384223.db2.gz KECGBKOQMJWPKJ-UHFFFAOYSA-N 0 0 389.459 3.945 50 10 GHCARN CC(=O)Nc1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1 ZINC000027530348 570435066 /nfs/dbraw/zinc/43/50/66/570435066.db2.gz VRXCBIGFTALWJV-MHWRWJLKSA-N 0 0 399.453 3.959 50 10 GHCARN COc1ccc(N2CC[NH+](Cc3cc(=O)oc4cc(C)cc(C)c34)CC2)cc1 ZINC000054105896 570440501 /nfs/dbraw/zinc/44/05/01/570440501.db2.gz HHSAXWSTWZZCNQ-UHFFFAOYSA-N 0 0 378.472 3.741 50 10 GHCARN Cn1c2ccccc2nc1-c1cc2ccc([O-])c(C[NH+]3CCCC3)c2oc1=O ZINC000001155881 570453048 /nfs/dbraw/zinc/45/30/48/570453048.db2.gz PKQHRMASFBIBTR-UHFFFAOYSA-N 0 0 375.428 3.648 50 10 biogenic GHCARN COc1ccc(/C=C2\SC(N3CCc4ccccc4C3)=NC2=O)c(OC)c1 ZINC000013513393 570633500 /nfs/dbraw/zinc/63/35/00/570633500.db2.gz CCMQXMYXNOWKBX-ODLFYWEKSA-N 0 0 380.469 3.732 50 10 GHCARN COc1ccc(N2CCN(Cc3nc(-c4ccccc4Cl)no3)CC2)cc1 ZINC000055561867 570696731 /nfs/dbraw/zinc/69/67/31/570696731.db2.gz FIQZDBSRMLJGPS-UHFFFAOYSA-N 0 0 384.867 3.721 50 10 GHCARN O=C(Nc1ccc2c(c1)OCCCO2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000058166804 570713853 /nfs/dbraw/zinc/71/38/53/570713853.db2.gz MZDNXXUFHZKGBG-SFHVURJKSA-N 0 0 398.459 3.767 50 10 GHCARN CC1(C)[C@H]2CC[C@@H]1[C@@H](O[C@@H]1CC(=O)Cc3c(O)c4cccc(O)c4c(O)c31)C2 ZINC000004568188 570728679 /nfs/dbraw/zinc/72/86/79/570728679.db2.gz NLLZPZMJMSXUEY-FKOVJARKSA-N 0 0 382.456 3.576 50 10 GHCARN Cc1ccccc1C(=O)NN1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S ZINC000013533975 570756853 /nfs/dbraw/zinc/75/68/53/570756853.db2.gz MPCOFJBVUXUPAX-SFQUDFHCSA-N 0 0 397.525 3.607 50 10 GHCARN CCCCN1C(=O)C(=Cc2ccc(N(C)C)cc2)C(=O)N(CCCC)C1=S ZINC000096558504 570759279 /nfs/dbraw/zinc/75/92/79/570759279.db2.gz BYNSSWIKMRFXTR-UHFFFAOYSA-N 0 0 387.549 3.692 50 10 GHCARN COCCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1nccs1 ZINC000044085894 570862724 /nfs/dbraw/zinc/86/27/24/570862724.db2.gz AREHULOVPJIUQV-UHFFFAOYSA-N 0 0 388.518 3.692 50 10 GHCARN COCCn1c(-c2ccccc2)cnc1SCC(=O)Nc1nc(C)cs1 ZINC000044085849 570862773 /nfs/dbraw/zinc/86/27/73/570862773.db2.gz LDFKLJQMSHWQHD-UHFFFAOYSA-N 0 0 388.518 3.692 50 10 GHCARN COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)C3CC3)CC2)cc1 ZINC000023181575 570944203 /nfs/dbraw/zinc/94/42/03/570944203.db2.gz UWNHEZYWERCZFZ-IERDGZPVSA-N 0 0 399.560 3.535 50 10 GHCARN O=c1oc2c(ccc3c2CN(c2ccc4c(c2)OCCO4)CO3)c2c1CCCC2 ZINC000002122897 570956394 /nfs/dbraw/zinc/95/63/94/570956394.db2.gz PQMMJXFEBUNXJY-UHFFFAOYSA-N 0 0 391.423 3.800 50 10 biogenic GHCARN CCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O ZINC000001416562 570992041 /nfs/dbraw/zinc/99/20/41/570992041.db2.gz XFWMYQACXBTPJI-FOWTUZBSSA-N 0 0 384.482 3.632 50 10 GHCARN O=C(Oc1cccc2c1C(=O)c1c(O)cccc1C2=O)[C@H]1C[C@H]1c1ccccc1 ZINC000005003650 570994703 /nfs/dbraw/zinc/99/47/03/570994703.db2.gz RALBSMPFIOXCGQ-IRXDYDNUSA-N 0 0 384.387 3.877 50 10 GHCARN CCCSc1nnc2c(n1)O[C@H](c1ccc(O)c(O)c1)Nc1ccccc1-2 ZINC000002911679 848141870 /nfs/dbraw/zinc/14/18/70/848141870.db2.gz UUOOFLRGKXQGHH-QGZVFWFLSA-N 0 0 382.445 3.955 50 10 GHCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1O ZINC000001300490 853897416 /nfs/dbraw/zinc/89/74/16/853897416.db2.gz XPHUGXBOPLSGQO-LCJGLDDCSA-N 0 0 377.425 3.705 50 10 GHCARN CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 ZINC000004291567 862941911 /nfs/dbraw/zinc/94/19/11/862941911.db2.gz BOJLNYGJIGQGFT-MFOYZWKCSA-N 0 0 398.465 3.780 50 10 GHCARN Cc1nc(COc2ccc(C=C3SC(NC4CCCCC4)=NC3=O)cc2)no1 ZINC000084281384 859775630 /nfs/dbraw/zinc/77/56/30/859775630.db2.gz VMLKMVWMJORPPK-GZTJUZNOSA-N 0 0 398.488 3.850 50 10 GHCARN Cc1cc(C(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)c(C)n1-c1ccccc1 ZINC000828145190 865212705 /nfs/dbraw/zinc/21/27/05/865212705.db2.gz KGBDXQFTEBJLIZ-SFHVURJKSA-N 0 0 391.471 3.722 50 10 GHCARN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)cc1 ZINC000001187874 203894017 /nfs/dbraw/zinc/89/40/17/203894017.db2.gz KYHGCBQIXPPJEM-SFQUDFHCSA-N 0 0 398.509 3.931 50 10 GHCARN COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000002208730 203930988 /nfs/dbraw/zinc/93/09/88/203930988.db2.gz TTXXCIITLXGLEH-QDECMSLZSA-N 0 0 396.270 3.845 50 10 GHCARN CC(=O)c1cccc(N2C(=O)C(=C3C(=O)Nc4ccccc43)SC2=S)c1 ZINC000002702152 203956323 /nfs/dbraw/zinc/95/63/23/203956323.db2.gz YZHKDIRREBBTSX-NXVVXOECSA-N 0 0 380.450 3.617 50 10 GHCARN O=C1Nc2ccc([N+](=O)[O-])cc2C1=C1SC(=S)N(c2ccccc2)C1=O ZINC000004038868 204025380 /nfs/dbraw/zinc/02/53/80/204025380.db2.gz LOHAFPWCUBRRCG-YPKPFQOOSA-N 0 0 383.410 3.972 50 10 GHCARN COc1ccc(N2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)cc1 ZINC000004191049 204032158 /nfs/dbraw/zinc/03/21/58/204032158.db2.gz NCNFFXUXRAHXOY-UHFFFAOYSA-N 0 0 380.517 3.905 50 10 GHCARN COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OC ZINC000004872008 204084169 /nfs/dbraw/zinc/08/41/69/204084169.db2.gz AQPGTJYEZZHVFC-UHFFFAOYSA-N 0 0 387.391 3.732 50 10 biogenic GHCARN O=C1Nc2ccc([N+](=O)[O-])cc2C1=C1SC(=S)N(Cc2ccccc2)C1=O ZINC000004537798 204050601 /nfs/dbraw/zinc/05/06/01/204050601.db2.gz CWJRFUMWQDBGOL-PFONDFGASA-N 0 0 397.437 3.968 50 10 GHCARN N=C1/C(=C/c2ccc(O)cc2)C(=O)N=C2SN=C(SCc3ccccc3)N21 ZINC000004616734 204058818 /nfs/dbraw/zinc/05/88/18/204058818.db2.gz POKNPOQYLJFYGB-YERBQUFUSA-N 0 0 394.481 3.902 50 10 GHCARN N=C1/C(=C/c2ccc(OC(=O)c3ccc(F)cc3)cc2)C(=O)N=C2SC=CN21 ZINC000004656115 204059016 /nfs/dbraw/zinc/05/90/16/204059016.db2.gz APBWMTSORKWQOV-HJMKZUPFSA-N 0 0 393.399 3.822 50 10 GHCARN Cc1csc(NC(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)n1 ZINC000005094515 204110844 /nfs/dbraw/zinc/11/08/44/204110844.db2.gz AVLPTEYVEXKWCH-YRNVUSSQSA-N 0 0 395.556 3.743 50 10 GHCARN Cc1cccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 ZINC000006747944 204198176 /nfs/dbraw/zinc/19/81/76/204198176.db2.gz PJMZSSWPTFLSGS-QFIPXVFZSA-N 0 0 382.504 3.648 50 10 GHCARN CCOc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 ZINC000008613798 204282672 /nfs/dbraw/zinc/28/26/72/204282672.db2.gz LRMHHAUCHYBTSK-QFIPXVFZSA-N 0 0 382.504 3.973 50 10 GHCARN CCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cc(C)ccc3OC)C2=N)S1 ZINC000032964091 204935862 /nfs/dbraw/zinc/93/58/62/204935862.db2.gz PAOWCSWWSCDRHH-DXEGXXAFSA-N 0 0 393.472 3.823 50 10 GHCARN Cn1ccnc1COc1ccc(C=C2SC(NC3CCCCC3)=NC2=O)cc1 ZINC000040139736 205056448 /nfs/dbraw/zinc/05/64/48/205056448.db2.gz DJYXFHCBEFIMBY-AQTBWJFISA-N 0 0 396.516 3.892 50 10 GHCARN Cc1cc(C(=O)[C@@H](C)N2CCC(C(N)=O)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000057873189 205161016 /nfs/dbraw/zinc/16/10/16/205161016.db2.gz CVRJLVNECLLUMP-OAHLLOKOSA-N 0 0 387.911 3.516 50 10 GHCARN C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCCc2cc(OC(F)F)ccc21 ZINC000065596893 136164132 /nfs/dbraw/zinc/16/41/32/136164132.db2.gz QSLDDXPMLMXCPQ-GFCCVEGCSA-N 0 0 390.386 3.797 50 10 GHCARN C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(N4CCOCC4)cc3)cc2)C1 ZINC000072437700 136170544 /nfs/dbraw/zinc/17/05/44/136170544.db2.gz NVNJGPBEOOAJBE-LJQANCHMSA-N 0 0 393.531 3.690 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3csc(-c4cccs4)n3)CC2)cc1 ZINC000061198230 536691178 /nfs/dbraw/zinc/69/11/78/536691178.db2.gz PHFBZMSPUHVFGX-UHFFFAOYSA-N 0 0 385.514 3.843 50 10 GHCARN CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N2CCCCCC2)cc1 ZINC000000674550 570216088 /nfs/dbraw/zinc/21/60/88/570216088.db2.gz NMOSKSWYOZEEAR-RELWKKBWSA-N 0 0 391.515 3.926 50 10 GHCARN CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N(C)C1=O ZINC000000911224 570229528 /nfs/dbraw/zinc/22/95/28/570229528.db2.gz DIAKWDYVGHGDTQ-UHFFFAOYSA-N 0 0 379.199 3.687 50 10 GHCARN CCOc1c(O)ccc(/C=C2/C(=O)N(c3cccc(C)c3)N=C2C)c1[N+](=O)[O-] ZINC000000996126 570234315 /nfs/dbraw/zinc/23/43/15/570234315.db2.gz SJAAGLUIKSJTCU-LFIBNONCSA-N 0 0 381.388 3.814 50 10 GHCARN Cc1ccc(/C=C2/SC(=S)N(CN3CCN(c4ccccc4)CC3)C2=O)o1 ZINC000020065768 570238536 /nfs/dbraw/zinc/23/85/36/570238536.db2.gz FVEKAMLLNWHURM-QGOAFFKASA-N 0 0 399.541 3.569 50 10 GHCARN CN1C(=O)/C(=C/c2cc(Br)c(Br)o2)SC1=S ZINC000001193044 570256992 /nfs/dbraw/zinc/25/69/92/570256992.db2.gz QXIPPEDBKWPYFQ-UTCJRWHESA-N 0 0 383.086 3.636 50 10 GHCARN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1O ZINC000001416692 570262490 /nfs/dbraw/zinc/26/24/90/570262490.db2.gz WZAYNTUUTRVDBT-BOPFTXTBSA-N 0 0 386.498 3.873 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4Cl)n[nH]3)CC2)cc1 ZINC000046455136 570272926 /nfs/dbraw/zinc/27/29/26/570272926.db2.gz UEZJAUGXTIABOE-UHFFFAOYSA-N 0 0 396.878 3.701 50 10 GHCARN [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cc(Cl)cc(Br)c2[O-])N1 ZINC000575442885 570313139 /nfs/dbraw/zinc/31/31/39/570313139.db2.gz DEECMNORASODAB-CYBMUJFWSA-N 0 0 392.644 3.655 50 10 GHCARN Cc1cc(C(=O)CSc2n[nH]c(=O)n2C2CC2)c(C)n1-c1ccc(C)c(C)c1 ZINC000008503742 570381559 /nfs/dbraw/zinc/38/15/59/570381559.db2.gz AQOXONYLFMZDOA-UHFFFAOYSA-N 0 0 396.516 3.906 50 10 GHCARN Cc1cc(C(=O)Nc2ccc(N3CCOCC3)nc2C)c(C)n1-c1ccccc1 ZINC000123167479 570408777 /nfs/dbraw/zinc/40/87/77/570408777.db2.gz YJBHWCDEHAYCJY-UHFFFAOYSA-N 0 0 390.487 3.886 50 10 GHCARN CCc1ccc(OCCn2cccc2/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc1 ZINC000032969690 570554909 /nfs/dbraw/zinc/55/49/09/570554909.db2.gz OGXLUPDTWGRNRE-VXMHBOQLSA-N 0 0 390.443 3.580 50 10 GHCARN Cc1cc(C(=O)OCc2nc(C)c(C)o2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000058309318 570725843 /nfs/dbraw/zinc/72/58/43/570725843.db2.gz BCOGKEKHBRPVBW-UHFFFAOYSA-N 0 0 382.416 3.827 50 10 GHCARN O=C1/C(=C/c2cccc3nccnc23)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000013722546 570781005 /nfs/dbraw/zinc/78/10/05/570781005.db2.gz YIQWANZCIFHQGG-PXNMLYILSA-N 0 0 393.449 3.764 50 10 GHCARN CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H](C)C3CCCCC3)cc2)CC1 ZINC000170604661 570862303 /nfs/dbraw/zinc/86/23/03/570862303.db2.gz MRTUVGZNXSISGE-SFHVURJKSA-N 0 0 385.552 3.578 50 10 GHCARN COc1ccc(-n2c(C)cc(C(=O)O[C@H](C)C(=O)NC3CCCC3)c2C)cc1 ZINC000016047171 570913149 /nfs/dbraw/zinc/91/31/49/570913149.db2.gz SCBLTGNLUCXFHK-MRXNPFEDSA-N 0 0 384.476 3.707 50 10 GHCARN CCc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(N(C)C)cc3)NC(=O)CN21 ZINC000002114052 570950810 /nfs/dbraw/zinc/95/08/10/570950810.db2.gz YYNKLAXNLRKKGI-XXFRDUSWSA-N 0 0 375.516 3.952 50 10 biogenic GHCARN Cc1cc(C(=O)COC(=O)c2ccc3c(c2)OCCO3)c(C)n1-c1ccccc1 ZINC000002658636 861485137 /nfs/dbraw/zinc/48/51/37/861485137.db2.gz HXMSRACFZNTINA-UHFFFAOYSA-N 0 0 391.423 3.905 50 10 GHCARN CCCCOC(=O)CCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S ZINC000003196731 862245238 /nfs/dbraw/zinc/24/52/38/862245238.db2.gz OVUDEKNDMMQKFL-QINSGFPZSA-N 0 0 379.503 3.630 50 10 GHCARN Cc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000027549444 855185968 /nfs/dbraw/zinc/18/59/68/855185968.db2.gz JFXDXTNZUSLDGI-BGQXKEBWSA-N 0 0 381.436 3.872 50 10 GHCARN COc1ccc2ncc(/C=C/[C@]34NC(=O)CN3c3ccccc3C4(C)C)cc2c1 ZINC000003999928 862699118 /nfs/dbraw/zinc/69/91/18/862699118.db2.gz AAHHTLIZFZOYIZ-LTDXDOBXSA-N 0 0 385.467 3.881 50 10 biogenic GHCARN COc1cc(/C=C2/C(=N)N3c4cc(C)c(C)cc4SC3=NC2=O)ccc1O ZINC000009111193 856802807 /nfs/dbraw/zinc/80/28/07/856802807.db2.gz HPPYEKOQILCSGZ-PQJMHHKISA-N 0 0 379.441 3.887 50 10 GHCARN O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Oc1ccccc1O ZINC000009764050 857342629 /nfs/dbraw/zinc/34/26/29/857342629.db2.gz IGFZDBQZRAOTSC-VBKFSLOCSA-N 0 0 385.466 3.589 50 10 GHCARN CCOc1ccccc1/C=C1\C(=O)N(Cc2ccccc2)C(C)=C1C(=O)OC ZINC000013371813 859897946 /nfs/dbraw/zinc/89/79/46/859897946.db2.gz KXRZCIYKFQOIRY-RGEXLXHISA-N 0 0 377.440 3.958 50 10 GHCARN COc1ccc(/C=C2/SC(=S)N(CNc3ccc(OC)cc3)C2=O)cc1 ZINC000003044318 860425590 /nfs/dbraw/zinc/42/55/90/860425590.db2.gz MTIJBWJDCMVRCE-GZTJUZNOSA-N 0 0 386.498 3.975 50 10 GHCARN COc1ccc(OC)c(CNC2(c3ccccc3)C(=O)c3ccccc3C2=O)c1 ZINC000020575071 860610540 /nfs/dbraw/zinc/61/05/40/860610540.db2.gz ZVGWJACMIKKSPC-UHFFFAOYSA-N 0 0 387.435 3.768 50 10 GHCARN COc1cccc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1O ZINC000015836676 863702687 /nfs/dbraw/zinc/70/26/87/863702687.db2.gz DLQXBGQUEFZQLB-WMQSWVATSA-N 0 0 384.461 3.600 50 10 GHCARN O=C(NN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccc(F)c(F)c1 ZINC000003267535 901091728 /nfs/dbraw/zinc/09/17/28/901091728.db2.gz MEGUWCCBEJSBKH-KPKJPENVSA-N 0 0 382.438 3.573 50 10 GHCARN CC(=O)Oc1ccc(N2C(=O)c3ccc(Oc4ccc(N)cc4)cc3C2=O)cc1 ZINC000001504989 919153091 /nfs/dbraw/zinc/15/30/91/919153091.db2.gz UTRATNDIMKIMFU-UHFFFAOYSA-N 0 0 388.379 3.787 50 10 GHCARN CCCCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000003879094 204020513 /nfs/dbraw/zinc/02/05/13/204020513.db2.gz MYJWQYMOOJWRGL-GOSISDBHSA-N 0 0 375.538 3.669 50 10 GHCARN Oc1cc2c(cc1O)CN(C(=S)NCCc1ccc(Cl)cc1)CCC2 ZINC000003871859 204021374 /nfs/dbraw/zinc/02/13/74/204021374.db2.gz DRCMAZOSEIMCHM-UHFFFAOYSA-N 0 0 376.909 3.617 50 10 in-vivo GHCARN CC1=NN(c2ccc(C(=O)OC(C)C)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1 ZINC000004520430 204049574 /nfs/dbraw/zinc/04/95/74/204049574.db2.gz HCCWBCACEAZPAI-YBEGLDIGSA-N 0 0 383.360 3.559 50 10 GHCARN Cc1ccc(C(C)(C)O[C@H]2CC(=O)Cc3c(O)c4cccc(O)c4c(O)c32)cc1 ZINC000004568187 204054669 /nfs/dbraw/zinc/05/46/69/204054669.db2.gz HWBQGRFPUCBOTB-LMNJBCLMSA-N 0 0 392.451 3.995 50 10 GHCARN CCN1C(=O)C(=CNc2ccc(Nc3ccccc3)cc2)C(=O)N(CC)C1=S ZINC000006910866 204222722 /nfs/dbraw/zinc/22/27/22/204222722.db2.gz KKWKNXWYQOYGCN-UHFFFAOYSA-N 0 0 394.500 3.722 50 10 GHCARN Cc1nc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)n(CC(C)C)c1C ZINC000007030001 204230921 /nfs/dbraw/zinc/23/09/21/204230921.db2.gz XVJCFFFSLPLCDX-UHFFFAOYSA-N 0 0 388.581 3.973 50 10 GHCARN COc1ccc(-n2c(C)cc(C(=O)Cn3ncc4ccccc4c3=O)c2C)cc1 ZINC000008194681 204265604 /nfs/dbraw/zinc/26/56/04/204265604.db2.gz MLSIFYBOPWJSSE-UHFFFAOYSA-N 0 0 387.439 3.696 50 10 GHCARN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2nnc3ccccn32)c1 ZINC000010056592 204330815 /nfs/dbraw/zinc/33/08/15/204330815.db2.gz MGFCTHDTDXHJGL-UHFFFAOYSA-N 0 0 379.851 3.720 50 10 GHCARN Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)Nc3ccccc3F)sc2n1 ZINC000010645071 204337286 /nfs/dbraw/zinc/33/72/86/204337286.db2.gz PALJTTICUJKJIW-NSHDSACASA-N 0 0 387.436 3.818 50 10 GHCARN O=C(NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccc(F)cc1 ZINC000013646211 204500141 /nfs/dbraw/zinc/50/01/41/204500141.db2.gz NBFWSTXCHOBPOQ-ZROIWOOFSA-N 0 0 376.409 3.511 50 10 GHCARN CCCOc1ccc(/C=C2\SC(=S)N(CCOC)C2=O)cc1OCC ZINC000016212916 204592902 /nfs/dbraw/zinc/59/29/02/204592902.db2.gz DZOMRSLSQFMPRA-VBKFSLOCSA-N 0 0 381.519 3.722 50 10 GHCARN CC(=O)Oc1ccc(/C=C2\C(=O)N=C3SC(C4CCCCC4)=NN3C2=N)cc1 ZINC000030930096 204899748 /nfs/dbraw/zinc/89/97/48/204899748.db2.gz SICXNELDMMDGEJ-XGMUFTHNSA-N 0 0 396.472 3.811 50 10 GHCARN CCN(CC)c1ccc(CN(C)C(=O)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000032894853 204925475 /nfs/dbraw/zinc/92/54/75/204925475.db2.gz NOOCTLSZBYBMQU-UHFFFAOYSA-N 0 0 376.504 3.920 50 10 GHCARN COc1c(C)cnc(CNC(=S)Nc2ccc3c(c2)OC(F)(F)O3)c1C ZINC000050254149 205129399 /nfs/dbraw/zinc/12/93/99/205129399.db2.gz MQQHIJORFFOILL-UHFFFAOYSA-N 0 0 381.404 3.515 50 10 GHCARN O=C(CN(Cc1ccc(F)cc1)C1CC1)NCc1ccc(N2CCCC2)cc1 ZINC000071810482 205299384 /nfs/dbraw/zinc/29/93/84/205299384.db2.gz BKWPYCWFVYNNRU-UHFFFAOYSA-N 0 0 381.495 3.707 50 10 GHCARN COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(Br)cc2)c1 ZINC000007496762 221000468 /nfs/dbraw/zinc/00/04/68/221000468.db2.gz HXEABDMQSXYRJC-UHFFFAOYSA-N 0 0 391.265 3.547 50 10 GHCARN CN(C)c1ccc(NC(=O)CN2CCCc3cc(OC(F)F)ccc32)cc1 ZINC000065596852 136164240 /nfs/dbraw/zinc/16/42/40/136164240.db2.gz QNDKTMSFDIHVFW-UHFFFAOYSA-N 0 0 375.419 3.745 50 10 GHCARN Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C\C(=O)N1CC(=O)Nc2ccccc21 ZINC000098053621 136188862 /nfs/dbraw/zinc/18/88/62/136188862.db2.gz WJVSUDQLLDPKPC-QXMHVHEDSA-N 0 0 390.418 3.627 50 10 GHCARN COc1ccc(N2CCN(C(=S)Nc3cccc(OC(F)F)c3)CC2)cc1 ZINC000000795721 524421235 /nfs/dbraw/zinc/42/12/35/524421235.db2.gz RZHVVNXFSPJJOE-UHFFFAOYSA-N 0 0 393.459 3.816 50 10 GHCARN CC(C)Cn1cc(C(F)F)c(C(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000134873379 535349784 /nfs/dbraw/zinc/34/97/84/535349784.db2.gz RSOLXHRQFZWHGQ-UHFFFAOYSA-N 0 0 376.451 3.789 50 10 GHCARN CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2Br)SC1=S ZINC000000976716 570232627 /nfs/dbraw/zinc/23/26/27/570232627.db2.gz YEHVQTKYNVUELF-SDQBBNPISA-N 0 0 388.308 3.687 50 10 GHCARN COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(OC)c1O ZINC000001151667 570249228 /nfs/dbraw/zinc/24/92/28/570249228.db2.gz XLPYZMNYHCKQDW-XNTDXEJSSA-N 0 0 379.503 3.943 50 10 GHCARN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC000009494636 570371558 /nfs/dbraw/zinc/37/15/58/570371558.db2.gz SQHGTQNKBSONKH-UHFFFAOYSA-N 0 0 377.421 3.571 50 10 GHCARN COc1cc([N+](=O)[O-])cc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)c1[O-] ZINC000239338659 570429199 /nfs/dbraw/zinc/42/91/99/570429199.db2.gz KXCWQDNTZPHYMT-AZUAARDMSA-N 0 0 389.496 3.538 50 10 GHCARN CC(=O)c1cccc(N2C(=O)C(=C3c4ccccc4N(C)C3=O)SC2=S)c1 ZINC000002702154 570505657 /nfs/dbraw/zinc/50/56/57/570505657.db2.gz WOXVNPXXXMTPDT-MSUUIHNZSA-N 0 0 394.477 3.642 50 10 GHCARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 ZINC000012413419 570656328 /nfs/dbraw/zinc/65/63/28/570656328.db2.gz UZWJGEQCFNOUAP-PDGQHHTCSA-N 0 0 393.439 3.977 50 10 GHCARN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C/c1ccccc1 ZINC000005824261 570794859 /nfs/dbraw/zinc/79/48/59/570794859.db2.gz ZMUXXDIRZPCJKX-HMMYKYKNSA-N 0 0 377.440 3.611 50 10 GHCARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000013943676 570807348 /nfs/dbraw/zinc/80/73/48/570807348.db2.gz DYAYBPQZKFZOKL-UYRXBGFRSA-N 0 0 393.439 3.971 50 10 GHCARN COc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000015769047 570907136 /nfs/dbraw/zinc/90/71/36/570907136.db2.gz MUSGNTKEUCFUMI-YBEGLDIGSA-N 0 0 385.466 3.712 50 10 GHCARN O=C(NN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S)c1ccccc1Cl ZINC000016672867 570930298 /nfs/dbraw/zinc/93/02/98/570930298.db2.gz MDIKVIAGMVIASR-NTEUORMPSA-N 0 0 390.873 3.592 50 10 GHCARN CC1=Nc2ncnn2[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OC1CCCCC1 ZINC000001291753 570956081 /nfs/dbraw/zinc/95/60/81/570956081.db2.gz XWLBOBYCLLAZDG-IBGZPJMESA-N 0 0 381.480 3.509 50 10 GHCARN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000002133935 570962453 /nfs/dbraw/zinc/96/24/53/570962453.db2.gz XCFSJLSVPPGVKQ-HKWRFOASSA-N 0 0 377.440 3.611 50 10 biogenic GHCARN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1ccc(C)c(O)c1O ZINC000170656283 571000173 /nfs/dbraw/zinc/00/01/73/571000173.db2.gz JJNMXKDMJGSAPG-UHFFFAOYSA-N 0 0 379.460 3.789 50 10 GHCARN Cc1cc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)c(C)n1-c1cccc(C)c1 ZINC000154454647 855884859 /nfs/dbraw/zinc/88/48/59/855884859.db2.gz PPTVFXAKGFHJKT-UHFFFAOYSA-N 0 0 375.428 3.986 50 10 GHCARN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@]23CCC=C2N(C)C(=O)CC3)cc1 ZINC000169785385 859780630 /nfs/dbraw/zinc/78/06/30/859780630.db2.gz GHPWDHHHLSPVFV-HSZRJFAPSA-N 0 0 377.488 3.740 50 10 GHCARN CN(C)c1ccc(CNC(=O)C(O)(c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000002290479 871944717 /nfs/dbraw/zinc/94/47/17/871944717.db2.gz YYQBOSGLKBSTER-UHFFFAOYSA-N 0 0 396.437 3.583 50 10 GHCARN CCN(CC)c1ccc(CN(C)C(=O)/C=C/c2ccc(C(=O)NC)cc2)cc1 ZINC000032455293 886636756 /nfs/dbraw/zinc/63/67/56/886636756.db2.gz FPMMAASLBZAYCE-LFIBNONCSA-N 0 0 379.504 3.564 50 10 GHCARN CCCCCOc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1OC ZINC000033352147 892094554 /nfs/dbraw/zinc/09/45/54/892094554.db2.gz MLOWZVIIVIYUTG-JXAWBTAJSA-N 0 0 390.505 3.567 50 10 GHCARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000000909693 203863849 /nfs/dbraw/zinc/86/38/49/203863849.db2.gz SFSPIFZWINQRPM-FQEVSTJZSA-N 0 0 378.476 3.636 50 10 GHCARN CCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=N)S1 ZINC000004311420 204038247 /nfs/dbraw/zinc/03/82/47/204038247.db2.gz NOVVDZSCCORDSI-KXKVSBCVSA-N 0 0 395.400 3.884 50 10 GHCARN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000004741592 204072013 /nfs/dbraw/zinc/07/20/13/204072013.db2.gz LUVXYSQSPZEDJH-HXUWFJFHSA-N 0 0 376.460 3.954 50 10 GHCARN Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1ccc(C)cc1C ZINC000004661146 204060892 /nfs/dbraw/zinc/06/08/92/204060892.db2.gz PPVQGNWUHLMJQU-NRKWFKHNSA-N 0 0 377.473 3.960 50 10 GHCARN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccnc1 ZINC000005090789 204110032 /nfs/dbraw/zinc/11/00/32/204110032.db2.gz PNCUEXXAJVGZDW-GXDHUFHOSA-N 0 0 389.527 3.763 50 10 GHCARN COc1ccc([C@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)cc1OC ZINC000004942494 204095360 /nfs/dbraw/zinc/09/53/60/204095360.db2.gz KUTOVKLALJKPHB-QGZVFWFLSA-N 0 0 392.411 3.994 50 10 GHCARN CN1C(=O)/C(=C2\c3ccccc3N(Cc3ccccc3F)C2=O)SC1=S ZINC000004954194 204095934 /nfs/dbraw/zinc/09/59/34/204095934.db2.gz YGJYCARLJXRCBT-NXVVXOECSA-N 0 0 384.457 3.574 50 10 GHCARN Cc1ccc(NC=C2C(=O)NC(=S)N(C3CCCCC3)C2=O)cc1Cl ZINC000005561096 204140146 /nfs/dbraw/zinc/14/01/46/204140146.db2.gz GQJJCERUKNHBJL-GXDHUFHOSA-N 0 0 377.897 3.520 50 10 GHCARN COc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1CSc1nccn1C ZINC000008782489 204289954 /nfs/dbraw/zinc/28/99/54/204289954.db2.gz XKPOZVXXLXOKSV-ZROIWOOFSA-N 0 0 391.543 3.552 50 10 GHCARN CCN(CC)c1ccc(CN(C)C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)cc1 ZINC000009932603 204327512 /nfs/dbraw/zinc/32/75/12/204327512.db2.gz MFHSKEYZCIVREU-UHFFFAOYSA-N 0 0 395.482 3.833 50 10 GHCARN COc1ccc(-n2c(C)cc(C(=O)N3CCC(c4nc(C)no4)CC3)c2C)cc1 ZINC000084080256 205392460 /nfs/dbraw/zinc/39/24/60/205392460.db2.gz TUMPBRCRFVVWEC-UHFFFAOYSA-N 0 0 394.475 3.814 50 10 GHCARN O=C(N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)C(F)(F)F ZINC000001027647 205707460 /nfs/dbraw/zinc/70/74/60/205707460.db2.gz SPMFYCOOXXYYMO-VMPITWQZSA-N 0 0 396.209 3.739 50 10 GHCARN COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C)SC4=NC3=O)c2C)c1 ZINC000005487953 205769666 /nfs/dbraw/zinc/76/96/66/205769666.db2.gz AJLATQCKIYRCIG-DVUFLMGDSA-N 0 0 393.472 3.742 50 10 GHCARN Cc1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)c(C)n1-c1cccc(F)c1 ZINC000225431648 206047090 /nfs/dbraw/zinc/04/70/90/206047090.db2.gz UINXOUPBTSEYGL-UHFFFAOYSA-N 0 0 393.418 3.841 50 10 GHCARN Nc1ccc(CCNC(=O)CSCc2ccc(Br)cc2F)cc1 ZINC000225468596 206051713 /nfs/dbraw/zinc/05/17/13/206051713.db2.gz HEEIOZPSXFWUNE-UHFFFAOYSA-N 0 0 397.313 3.763 50 10 GHCARN Cc1ccccc1C1=NN2C(=NC(=O)/C(=C/c3ccc(N(C)C)cc3)C2=N)S1 ZINC000032109557 206089392 /nfs/dbraw/zinc/08/93/92/206089392.db2.gz PUVWDPMBJQGQBX-ACUDIFQKSA-N 0 0 389.484 3.728 50 10 GHCARN O=C(/C=C\c1ccc2c(c1)OCO2)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000033456589 206097841 /nfs/dbraw/zinc/09/78/41/206097841.db2.gz BWUJWCXKTWKYHJ-LUAWRHEFSA-N 0 0 397.386 3.843 50 10 GHCARN Cc1cccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(F)cc32)c1 ZINC000048988572 132434780 /nfs/dbraw/zinc/43/47/80/132434780.db2.gz VWXLHGMPAXBXBX-UHFFFAOYSA-N 0 0 386.448 3.523 50 10 GHCARN C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc4c(c3)COC4=O)cc2)C1 ZINC000096140837 136184401 /nfs/dbraw/zinc/18/44/01/136184401.db2.gz YJNHPWNBWRNMBI-OAHLLOKOSA-N 0 0 379.460 3.915 50 10 GHCARN COc1ccc(N2CCN(CC(=O)c3c[nH]c4ccc(C)cc34)C[C@@H]2C)cc1 ZINC000002224493 536697255 /nfs/dbraw/zinc/69/72/55/536697255.db2.gz ZEIMRPMNCPVADE-KRWDZBQOSA-N 0 0 377.488 3.878 50 10 GHCARN COc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000001161369 570252065 /nfs/dbraw/zinc/25/20/65/570252065.db2.gz NNYIRRPJSCIWFL-UHFFFAOYSA-N 0 0 395.286 3.730 50 10 GHCARN O=C(NN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)c1ccccc1O ZINC000001212753 570258466 /nfs/dbraw/zinc/25/84/66/570258466.db2.gz WFQYUKLBKOQALM-ZROIWOOFSA-N 0 0 390.873 3.592 50 10 GHCARN O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1O ZINC000001232284 570259359 /nfs/dbraw/zinc/25/93/59/570259359.db2.gz BQASERKPKJGDHW-VBKFSLOCSA-N 0 0 384.482 3.622 50 10 GHCARN Cc1cccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(N(C)C)cc2)c1C ZINC000001241480 570259576 /nfs/dbraw/zinc/25/95/76/570259576.db2.gz SFCAAAFQLVNFSR-FQEVSTJZSA-N 0 0 378.476 3.636 50 10 GHCARN O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccc1O ZINC000002303589 570281867 /nfs/dbraw/zinc/28/18/67/570281867.db2.gz GGEMCFKZONIVOE-UVTDQMKNSA-N 0 0 390.511 3.684 50 10 GHCARN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCCc1c[nH]c2ccccc12 ZINC000100149208 570307681 /nfs/dbraw/zinc/30/76/81/570307681.db2.gz DRDCWIPPPVKSGW-CPNJWEJPSA-N 0 0 389.415 3.515 50 10 GHCARN CCCC(=O)N[C@@H](c1ccc(OC)c(OC)c1)c1ccc2cccnc2c1O ZINC000002873371 570314151 /nfs/dbraw/zinc/31/41/51/570314151.db2.gz YAYIASZMXDWVNI-FQEVSTJZSA-N 0 0 380.444 3.963 50 10 biogenic GHCARN C[C@H]1CCCC[C@@]12NC(=O)N(CN(C)Cc1ccc(N3CCCCC3)cc1)C2=O ZINC000023653293 570368215 /nfs/dbraw/zinc/36/82/15/570368215.db2.gz UQEQEIIUUFHENS-FDDCHVKYSA-N 0 0 398.551 3.567 50 10 GHCARN CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN3CCOCC3)c21 ZINC000019593719 570468233 /nfs/dbraw/zinc/46/82/33/570468233.db2.gz OGXGATRCXHSTEV-UHFFFAOYSA-N 0 0 381.428 3.814 50 10 GHCARN COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc(OC)c1OC ZINC000001241736 570537929 /nfs/dbraw/zinc/53/79/29/570537929.db2.gz JCUHLNOOAKCLKT-OQLLNIDSSA-N 0 0 391.470 3.707 50 10 GHCARN COc1cc(/C=C2\C(=N)N3c4cc(C)c(C)cc4SC3=NC2=O)ccc1O ZINC000013554264 570656230 /nfs/dbraw/zinc/65/62/30/570656230.db2.gz HPPYEKOQILCSGZ-IIQNZDCVSA-N 0 0 379.441 3.887 50 10 GHCARN O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc(Br)cc1 ZINC000013673687 570771248 /nfs/dbraw/zinc/77/12/48/570771248.db2.gz DNUOSEQGTAPVON-UHFFFAOYSA-N 0 0 395.322 3.528 50 10 GHCARN Cc1ccccc1NC(=O)c1cc2ccccc2c(C[NH+]2CCOCC2)c1[O-] ZINC000032751068 570791779 /nfs/dbraw/zinc/79/17/79/570791779.db2.gz ZVTHPUXBIBGTKJ-UHFFFAOYSA-N 0 0 376.456 3.938 50 10 GHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000016134433 570914648 /nfs/dbraw/zinc/91/46/48/570914648.db2.gz YQDAXUABSVQCTE-UHFFFAOYSA-N 0 0 376.859 3.517 50 10 GHCARN CCC(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000023181510 570944069 /nfs/dbraw/zinc/94/40/69/570944069.db2.gz VVQIVVCYGKKCRM-IERDGZPVSA-N 0 0 387.549 3.535 50 10 GHCARN COC(=O)CC1CC[NH+](Cc2c3c(C(=O)c4ccco4)coc3ccc2[O-])CC1 ZINC000252510731 570980121 /nfs/dbraw/zinc/98/01/21/570980121.db2.gz ZPDVZHNEBKVHQW-UHFFFAOYSA-N 0 0 397.427 3.738 50 10 biogenic GHCARN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2cccnc2)C1=O ZINC000004140163 862818689 /nfs/dbraw/zinc/81/86/89/862818689.db2.gz UJYUORPOXWBWRS-RLGXRJJKSA-N 0 0 395.509 3.868 50 10 GHCARN O=S(=O)(c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O ZINC000004248182 862902142 /nfs/dbraw/zinc/90/21/42/862902142.db2.gz FVFWVAXNHNTNGO-FQEVSTJZSA-N 0 0 378.453 3.932 50 10 GHCARN COCCn1c(C)cc(/C=C2/NC(=S)N(c3cccc(C)c3C)C2=O)c1C ZINC000170598427 860395773 /nfs/dbraw/zinc/39/57/73/860395773.db2.gz NXBRSHMMRCOXGL-LDADJPATSA-N 0 0 383.517 3.630 50 10 GHCARN COc1cccc([C@@H](CC(=O)NCc2ccc(N(C)C)cc2)n2cccc2)c1 ZINC000020998554 860693208 /nfs/dbraw/zinc/69/32/08/860693208.db2.gz XFPXNUPVRXUSQH-JOCHJYFZSA-N 0 0 377.488 3.859 50 10 GHCARN COCCCN1C(=O)/C(=C/c2cccc(OC)c2OC(F)F)SC1=S ZINC000096930820 915217421 /nfs/dbraw/zinc/21/74/21/915217421.db2.gz QIQHBMQCKGVPPL-XFXZXTDPSA-N 0 0 389.445 3.534 50 10 GHCARN CCN(CC)c1ccc(C=c2sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1 ZINC000254740879 916946115 /nfs/dbraw/zinc/94/61/15/916946115.db2.gz LCKZPNXSJSJYHO-UHFFFAOYSA-N 0 0 390.512 3.520 50 10 GHCARN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)cc1O ZINC000001162078 203890935 /nfs/dbraw/zinc/89/09/35/203890935.db2.gz AJEJROWTOQGAFL-SDQBBNPISA-N 0 0 388.308 3.775 50 10 GHCARN COc1ccc(-n2c(C)cc(C(=O)Cn3nnc(-c4ccccc4)n3)c2C)cc1 ZINC000002659020 203953939 /nfs/dbraw/zinc/95/39/39/203953939.db2.gz WHENVXBQKKXYGP-UHFFFAOYSA-N 0 0 387.443 3.639 50 10 GHCARN Cc1cc(C(=O)OCc2cc(=O)n3ccsc3n2)c(C)n1-c1ccccc1 ZINC000003542746 204013214 /nfs/dbraw/zinc/01/32/14/204013214.db2.gz ZXVGAHWXNJNKLJ-UHFFFAOYSA-N 0 0 379.441 3.521 50 10 GHCARN COc1cccc(-n2c(/C=C/c3ccc(O)c(O)c3)nc3ccccc3c2=O)c1 ZINC000004827600 204079284 /nfs/dbraw/zinc/07/92/84/204079284.db2.gz QEJLVHXLTGBOGR-ZRDIBKRKSA-N 0 0 386.407 3.976 50 10 GHCARN CSC1=NSC2=NC(=O)/C(=C\c3cccn3-c3ccccc3F)C(=N)N12 ZINC000004909247 204090126 /nfs/dbraw/zinc/09/01/26/204090126.db2.gz QDRSPSBEIIOEQR-SKGSMITLSA-N 0 0 385.449 3.556 50 10 GHCARN COc1ccc(-n2c(C)cc(C(=O)Cn3nc(C)c([N+](=O)[O-])c3C)c2C)cc1 ZINC000004500145 204048460 /nfs/dbraw/zinc/04/84/60/204048460.db2.gz ZORGSNYMABDLMA-UHFFFAOYSA-N 0 0 382.420 3.707 50 10 GHCARN COc1ccc2c3ccc(OCC(=O)N4CCC[C@H](C)C4)c(C)c3oc(=O)c2c1 ZINC000004540358 204050655 /nfs/dbraw/zinc/05/06/55/204050655.db2.gz PPLAJPOKTUCMSU-AWEZNQCLSA-N 0 0 395.455 3.901 50 10 GHCARN CCOc1ccccc1CNC(=O)c1nc(-c2ccc(-n3cccc3)cc2)no1 ZINC000004623122 204058227 /nfs/dbraw/zinc/05/82/27/204058227.db2.gz LIONNUAAJXQGIB-UHFFFAOYSA-N 0 0 388.427 3.856 50 10 GHCARN O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000005201185 204119400 /nfs/dbraw/zinc/11/94/00/204119400.db2.gz KOEBINNAVCEWSW-NTEUORMPSA-N 0 0 387.398 3.909 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3c4c(nc5ccccc53)CCC4)CC2)cc1 ZINC000005348729 204127348 /nfs/dbraw/zinc/12/73/48/204127348.db2.gz GWYOVRVOECDFIF-UHFFFAOYSA-N 0 0 387.483 3.695 50 10 GHCARN COc1ccc(N2CCN(c3cc(Nc4ccc(C)cc4)ncn3)CC2)cc1 ZINC000006793771 204207624 /nfs/dbraw/zinc/20/76/24/204207624.db2.gz YICLEEVEJODETD-UHFFFAOYSA-N 0 0 375.476 3.864 50 10 GHCARN Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCC(c2ccccc2)=N1 ZINC000007130613 204233605 /nfs/dbraw/zinc/23/36/05/204233605.db2.gz MBRCFYUPYSHXGW-UHFFFAOYSA-N 0 0 376.485 3.816 50 10 GHCARN CC1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccccc2O)CC1 ZINC000007814779 204252553 /nfs/dbraw/zinc/25/25/53/204252553.db2.gz ZVTYGQPQDWOICF-GOSISDBHSA-N 0 0 383.517 3.863 50 10 GHCARN Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)no1 ZINC000008725593 204285814 /nfs/dbraw/zinc/28/58/14/204285814.db2.gz DMNWINSXJMCIRT-MRXNPFEDSA-N 0 0 398.488 3.756 50 10 GHCARN Cc1cc(C(=O)CSc2nnnn2Cc2ccco2)c(C)n1-c1ccccc1 ZINC000011306895 204344554 /nfs/dbraw/zinc/34/45/54/204344554.db2.gz SBPSFRRDFVIRMG-UHFFFAOYSA-N 0 0 393.472 3.697 50 10 GHCARN COc1ccc(/C=C2/SC(N3CCN(c4ccccc4C)CC3)=NC2=O)cc1 ZINC000012378264 204401941 /nfs/dbraw/zinc/40/19/41/204401941.db2.gz FYSDEEINTYRUTB-HMMYKYKNSA-N 0 0 393.512 3.796 50 10 GHCARN COC(=O)c1sc2nc(N3CCCCC3)c3c(c2c1N)CC(C)(C)OC3 ZINC000012384536 204403583 /nfs/dbraw/zinc/40/35/83/204403583.db2.gz OWMGCXDNACHEAA-UHFFFAOYSA-N 0 0 375.494 3.507 50 10 GHCARN Cc1cc(OCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1C(C)C ZINC000012638243 204433703 /nfs/dbraw/zinc/43/37/03/204433703.db2.gz WUDLZHMFVYAHTC-UHFFFAOYSA-N 0 0 396.531 3.992 50 10 GHCARN CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)cc1 ZINC000046044267 205102954 /nfs/dbraw/zinc/10/29/54/205102954.db2.gz YBUVOPCFDFOWQQ-QGZVFWFLSA-N 0 0 399.922 3.575 50 10 GHCARN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000053916313 205138385 /nfs/dbraw/zinc/13/83/85/205138385.db2.gz WDPJGDQSFGUPJL-MRXNPFEDSA-N 0 0 381.501 3.877 50 10 GHCARN CN(C)c1ccc(CNC(=O)CCc2cn(C)nc2-c2ccc(F)cc2)cc1 ZINC000064861326 205197780 /nfs/dbraw/zinc/19/77/80/205197780.db2.gz SDDYMJUHISCJLT-UHFFFAOYSA-N 0 0 380.467 3.541 50 10 GHCARN COc1ccc(OC)c(C2=C/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)O2)c1 ZINC000002914469 205722963 /nfs/dbraw/zinc/72/29/63/205722963.db2.gz ZHYWIXQEYSILCX-ZSOIEALJSA-N 0 0 398.411 3.711 50 10 GHCARN COC(=O)C1=CN(c2ccc(C(C)C)cc2)c2cc(F)ccc2S1(=O)=O ZINC000064979184 136158441 /nfs/dbraw/zinc/15/84/41/136158441.db2.gz VJSIVIIVHLWOSP-UHFFFAOYSA-N 0 0 375.421 3.889 50 10 GHCARN CCN1c2ccccc2/C(=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)C1=O ZINC000001002914 570234691 /nfs/dbraw/zinc/23/46/91/570234691.db2.gz SOAMCMXNEAVLNU-MSUUIHNZSA-N 0 0 396.493 3.838 50 10 GHCARN CCOc1ccc(NC(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 ZINC000006078870 570235343 /nfs/dbraw/zinc/23/53/43/570235343.db2.gz QFGUEQRLTNLBFW-SFQUDFHCSA-N 0 0 398.509 3.925 50 10 GHCARN CN(C)c1ccc(CNC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000015774069 570240882 /nfs/dbraw/zinc/24/08/82/570240882.db2.gz WPUZWHIXTDQYHO-QHCPKHFHSA-N 0 0 399.494 3.641 50 10 GHCARN O=C(CN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccccc1F ZINC000001744826 570267721 /nfs/dbraw/zinc/26/77/21/570267721.db2.gz YNJIDCJRKFKBQM-DHDCSXOGSA-N 0 0 390.436 3.805 50 10 GHCARN Cc1cc(C(=O)NCc2nncn2-c2ccccc2)c(C)n1-c1cccc(F)c1 ZINC000114678725 570274147 /nfs/dbraw/zinc/27/41/47/570274147.db2.gz IFZAVWBHROSOSW-UHFFFAOYSA-N 0 0 389.434 3.744 50 10 GHCARN COc1ccc(N2C(=O)c3ccccc3N(C)[C@@H]2c2ccc(O)c(O)c2)cc1 ZINC000023624189 570367128 /nfs/dbraw/zinc/36/71/28/570367128.db2.gz FRHZKVYYSAFBHY-NRFANRHFSA-N 0 0 376.412 3.902 50 10 GHCARN Cc1ccc(C(=O)N2CCC(CC(=O)NCc3ccc(N(C)C)cc3)CC2)cc1 ZINC000032974223 570562902 /nfs/dbraw/zinc/56/29/02/570562902.db2.gz IAFGAPKPYDPQCP-UHFFFAOYSA-N 0 0 393.531 3.620 50 10 GHCARN O=C1Nc2ccccc2/C1=C/c1nc2ccccc2c(=O)n1Cc1ccccc1 ZINC000013777718 570678145 /nfs/dbraw/zinc/67/81/45/570678145.db2.gz HDIOEXSAQMWABC-RGEXLXHISA-N 0 0 379.419 3.938 50 10 GHCARN CCN1C(=O)/C(=C/c2ccc(OC)c(Cn3nc(C)cc3C)c2)SC1=S ZINC000001015982 570746893 /nfs/dbraw/zinc/74/68/93/570746893.db2.gz SBBZWBDLMGBQNH-YVLHZVERSA-N 0 0 387.530 3.778 50 10 GHCARN COc1ccc(N2CCN(Cc3nc(Cc4cccc(F)c4)no3)[C@@H](C)C2)cc1 ZINC000013595370 570761419 /nfs/dbraw/zinc/76/14/19/570761419.db2.gz GYEKTZVRDOGVSU-INIZCTEOSA-N 0 0 396.466 3.519 50 10 GHCARN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(OC)c1OC ZINC000013714156 570778420 /nfs/dbraw/zinc/77/84/20/570778420.db2.gz JCUHLNOOAKCLKT-DHDCSXOGSA-N 0 0 391.470 3.707 50 10 GHCARN O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NC1CCCC1 ZINC000013810415 570791281 /nfs/dbraw/zinc/79/12/81/570791281.db2.gz QCQIWQFQYHCJCG-PTNGSMBKSA-N 0 0 394.949 3.990 50 10 GHCARN COc1ccc(-n2[n-]c(C)c(C=Nc3cc([N+](=O)[O-])ccc3Cl)c2=O)cc1 ZINC000101112584 570814149 /nfs/dbraw/zinc/81/41/49/570814149.db2.gz XWTWKROBAQMEJB-XNTDXEJSSA-N 0 0 386.795 3.975 50 10 GHCARN FC(F)(F)c1nnc2ccc(N3CC=C(c4c[nH]c5ccccc45)CC3)nn21 ZINC000014244322 570836498 /nfs/dbraw/zinc/83/64/98/570836498.db2.gz ZJWBFQBXFKPDEQ-UHFFFAOYSA-N 0 0 384.365 3.918 50 10 GHCARN CN(C)c1ccc(CNC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000012564972 570869797 /nfs/dbraw/zinc/86/97/97/570869797.db2.gz GQTZSMBOIYWPEH-UHFFFAOYSA-N 0 0 388.467 3.679 50 10 GHCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc2ccccc2nc1N1CCOCC1 ZINC000012585331 570880810 /nfs/dbraw/zinc/88/08/10/570880810.db2.gz CFXGYMDJVATGFD-PGMHBOJBSA-N 0 0 398.466 3.878 50 10 GHCARN COc1cccc(C=C2SC(=S)NC2=O)c1OCc1ccc(F)cc1 ZINC000016225384 570918118 /nfs/dbraw/zinc/91/81/18/570918118.db2.gz RBTREFBCASNWLF-DHDCSXOGSA-N 0 0 375.446 3.902 50 10 GHCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2cccnc2)C1=O ZINC000016711604 570931628 /nfs/dbraw/zinc/93/16/28/570931628.db2.gz UJYUORPOXWBWRS-JMRZXEDWSA-N 0 0 395.509 3.868 50 10 GHCARN O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(F)cc1 ZINC000001266350 570951375 /nfs/dbraw/zinc/95/13/75/570951375.db2.gz PIPCBZHWCYUHRE-MDWZMJQESA-N 0 0 378.475 3.727 50 10 GHCARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc2c(c1)OCCO2)CO3 ZINC000002122724 570956380 /nfs/dbraw/zinc/95/63/80/570956380.db2.gz RZTJUAVZCJRRER-UHFFFAOYSA-N 0 0 379.412 3.792 50 10 biogenic GHCARN Cc1c(C)c(=O)oc2c(C)c3c(cc12)CN(c1ccc2c(c1)OCCO2)CO3 ZINC000002123247 570956723 /nfs/dbraw/zinc/95/67/23/570956723.db2.gz LJRDJHDPKXGECL-UHFFFAOYSA-N 0 0 379.412 3.846 50 10 biogenic GHCARN CC12CN3CC(c4ccccc4)(CN(C1)C3c1c(O)ccc3ccccc31)C2=O ZINC000019323680 570974495 /nfs/dbraw/zinc/97/44/95/570974495.db2.gz FUPKOYYMJAVKPH-UHFFFAOYSA-N 0 0 384.479 3.702 50 10 biogenic GHCARN COc1ccc(N2CCN([C@H](CNC(=O)CC(C)(C)C)c3ccco3)CC2)cc1 ZINC000056946205 861848097 /nfs/dbraw/zinc/84/80/97/861848097.db2.gz SKQRIYBIESAZHQ-HXUWFJFHSA-N 0 0 399.535 3.704 50 10 GHCARN Cc1cc(N(Cc2ccccc2O)C[C@H]2CCCO2)nc(-c2ccccn2)n1 ZINC000095446145 860583635 /nfs/dbraw/zinc/58/36/35/860583635.db2.gz IZRIGEKDPCQQOV-GOSISDBHSA-N 0 0 376.460 3.738 50 10 GHCARN COc1cc(C=C2SC(NC3CCCCC3)=NC2=O)cc(OC)c1OC ZINC000096669681 914904038 /nfs/dbraw/zinc/90/40/38/914904038.db2.gz BNZGNEPIVKZEGF-LFIBNONCSA-N 0 0 376.478 3.605 50 10 GHCARN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000000638318 203842768 /nfs/dbraw/zinc/84/27/68/203842768.db2.gz BGGIEISHQIWAFQ-ZDLGFXPLSA-N 0 0 391.423 3.909 50 10 GHCARN CC1CCN(C(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 ZINC000001217957 203897649 /nfs/dbraw/zinc/89/76/49/203897649.db2.gz CKLSKBTYGOPXOY-KAMYIIQDSA-N 0 0 380.560 3.598 50 10 GHCARN Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)N1CC(=O)Nc2ccccc21 ZINC000003408054 204004208 /nfs/dbraw/zinc/00/42/08/204004208.db2.gz WJVSUDQLLDPKPC-VAWYXSNFSA-N 0 0 390.418 3.627 50 10 GHCARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000004062677 204025404 /nfs/dbraw/zinc/02/54/04/204025404.db2.gz JZMBXAQQOFJYKV-UHFFFAOYSA-N 0 0 377.421 3.571 50 10 GHCARN C[C@@H]1CN(C2=NC(=O)/C(=C\c3cccc(Br)c3)S2)C[C@H](C)O1 ZINC000004754894 204073345 /nfs/dbraw/zinc/07/33/45/204073345.db2.gz LLFMTYDCNKDIDJ-WMNKIYBBSA-N 0 0 381.295 3.529 50 10 GHCARN CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc2c(C[NH+](C)C)c1[O-] ZINC000004755930 204073974 /nfs/dbraw/zinc/07/39/74/204073974.db2.gz UIMKDHMERHEQAK-UHFFFAOYSA-N 0 0 389.455 3.975 50 10 GHCARN CN(C)c1ccc([C@@H](CNC(=O)c2ccco2)N2CCc3ccccc32)cc1 ZINC000005098692 204110412 /nfs/dbraw/zinc/11/04/12/204110412.db2.gz ILJMHRJXOQSNJU-OAQYLSRUSA-N 0 0 375.472 3.879 50 10 GHCARN Cc1cc(C(=O)COC(=O)C2CC2)c(C)n1-c1cccc(Br)c1 ZINC000005711234 204147821 /nfs/dbraw/zinc/14/78/21/204147821.db2.gz JXKVCASULBIUBG-UHFFFAOYSA-N 0 0 376.250 3.993 50 10 GHCARN CN1C(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)NC1=S ZINC000005879175 204156438 /nfs/dbraw/zinc/15/64/38/204156438.db2.gz KKLUIMQZXZMLGL-YRNVUSSQSA-N 0 0 391.792 3.605 50 10 GHCARN COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc4ccccc4c3)CC2)cc1 ZINC000006399153 204177244 /nfs/dbraw/zinc/17/72/44/204177244.db2.gz MWAPZPIJNUEKDI-GOSISDBHSA-N 0 0 390.483 3.965 50 10 GHCARN CCOc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000006747964 204197957 /nfs/dbraw/zinc/19/79/57/204197957.db2.gz SKURDGRHALRMIB-FQEVSTJZSA-N 0 0 382.504 3.973 50 10 GHCARN CC(C)C(=O)O[C@H](C)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O ZINC000007814563 204252918 /nfs/dbraw/zinc/25/29/18/204252918.db2.gz KPOHDXZSDHEAOV-LLVKDONJSA-N 0 0 399.830 3.642 50 10 GHCARN CCOC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 ZINC000008872617 204292361 /nfs/dbraw/zinc/29/23/61/204292361.db2.gz BMQXEYIKMVUDEJ-RGEXLXHISA-N 0 0 397.471 3.869 50 10 GHCARN CCN1C(=O)/C(=C\c2cn(CC(=O)OC(C)C)c3ccccc23)SC1=S ZINC000009235809 204303627 /nfs/dbraw/zinc/30/36/27/204303627.db2.gz FUBQWCOPQNTZRQ-CXUHLZMHSA-N 0 0 388.514 3.814 50 10 GHCARN Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C(=O)NC3CC3)c3ccccc3)sc2n1 ZINC000010645212 204336956 /nfs/dbraw/zinc/33/69/56/204336956.db2.gz LYPIWNKTUHQIGR-QGZVFWFLSA-N 0 0 395.484 3.672 50 10 GHCARN COc1ccc2c(c1)CCCN2Cc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000015565985 204569091 /nfs/dbraw/zinc/56/90/91/204569091.db2.gz SRIYUZOAYCZXSC-UHFFFAOYSA-N 0 0 381.432 3.715 50 10 GHCARN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1C1=C[C@@H]2OCO[C@H]2C=C1 ZINC000026771499 204848117 /nfs/dbraw/zinc/84/81/17/204848117.db2.gz XCWKBNLMOGZJKV-JWRDJFKJSA-N 0 0 382.466 3.564 50 10 GHCARN Cc1cc(C(=O)CN(C)CC(=O)NC(C)(C)C)c(C)n1-c1ccc(C)c(F)c1 ZINC000026885416 204850049 /nfs/dbraw/zinc/85/00/49/204850049.db2.gz YDDMZGDYSOQPTQ-UHFFFAOYSA-N 0 0 387.499 3.571 50 10 GHCARN Cc1nc(COc2ccc(C=C3SC(NC4CCCCC4)=NC3=O)cc2)no1 ZINC000098055307 205600369 /nfs/dbraw/zinc/60/03/69/205600369.db2.gz VMLKMVWMJORPPK-BOPFTXTBSA-N 0 0 398.488 3.850 50 10 GHCARN C[C@@H]1CN(c2ccc(CNC(=O)CCC(=O)c3ccccc3)cc2F)C[C@H](C)O1 ZINC000048365410 132433127 /nfs/dbraw/zinc/43/31/27/132433127.db2.gz SKLPOZAARUQOMB-CALCHBBNSA-N 0 0 398.478 3.719 50 10 GHCARN COc1ccc(N2CCN([C@@H](C)C(=O)c3c[nH]c4ccccc43)C[C@H]2C)cc1 ZINC000061947425 536700113 /nfs/dbraw/zinc/70/01/13/536700113.db2.gz QBWWYEMWPYCDIA-SJORKVTESA-N 0 0 377.488 3.958 50 10 GHCARN COc1ccc(N2CCN([C@@H](C)C(=O)c3c[nH]c4ccccc43)C[C@@H]2C)cc1 ZINC000061947426 536700436 /nfs/dbraw/zinc/70/04/36/536700436.db2.gz QBWWYEMWPYCDIA-IRXDYDNUSA-N 0 0 377.488 3.958 50 10 GHCARN COc1ccc(N2CCN(c3nc4c(C)cccc4cc3CO)[C@@H](C)C2)cc1 ZINC000095360360 536702040 /nfs/dbraw/zinc/70/20/40/536702040.db2.gz GHWNDNNKKIPXOH-KRWDZBQOSA-N 0 0 377.488 3.759 50 10 GHCARN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000000685980 570217956 /nfs/dbraw/zinc/21/79/56/570217956.db2.gz ZJKGNMJEKVTERL-PDGQHHTCSA-N 0 0 392.411 3.776 50 10 GHCARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 ZINC000000799797 570223903 /nfs/dbraw/zinc/22/39/03/570223903.db2.gz FWKXOPVGLUZCPY-GOSISDBHSA-N 0 0 384.867 3.673 50 10 GHCARN COc1ccc2oc(C)c(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2c1 ZINC000048265057 570225180 /nfs/dbraw/zinc/22/51/80/570225180.db2.gz IKHZDMYIKPEPJD-UHFFFAOYSA-N 0 0 394.471 3.859 50 10 GHCARN COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(C(C)C)C1=O ZINC000001006003 570234688 /nfs/dbraw/zinc/23/46/88/570234688.db2.gz QCCOXUGMJVOMNQ-YVLHZVERSA-N 0 0 376.478 3.749 50 10 GHCARN CCOC(=O)c1ccc(-n2c(C)cc(C=C3SC(=S)NC3=O)c2C)cc1 ZINC000001205554 570257715 /nfs/dbraw/zinc/25/77/15/570257715.db2.gz MZCRRZKRFBYGSA-YBEGLDIGSA-N 0 0 386.498 3.760 50 10 GHCARN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)cc1 ZINC000001417320 570262467 /nfs/dbraw/zinc/26/24/67/570262467.db2.gz SBOYTLXUMHTFKK-LFIBNONCSA-N 0 0 384.482 3.550 50 10 GHCARN Nc1cccc(C(=O)Nc2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)c1 ZINC000100009101 570264862 /nfs/dbraw/zinc/26/48/62/570264862.db2.gz FFSCMMOUQKDVKY-UHFFFAOYSA-N 0 0 397.649 3.709 50 10 GHCARN Cc1cc(C(=O)CSc2nnnn2C)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000006626304 570279029 /nfs/dbraw/zinc/27/90/29/570279029.db2.gz ZQFSEBYOIQQCBV-UHFFFAOYSA-N 0 0 396.303 3.899 50 10 GHCARN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000022287304 570312213 /nfs/dbraw/zinc/31/22/13/570312213.db2.gz LKFUTHBLXGZASR-UHFFFAOYSA-N 0 0 386.439 3.982 50 10 GHCARN COc1ccc([C@H](NC(=O)C(C)C)c2ccc3cccnc3c2O)cc1OC ZINC000002873350 570314144 /nfs/dbraw/zinc/31/41/44/570314144.db2.gz GUGKZZCJXZJTGZ-IBGZPJMESA-N 0 0 380.444 3.819 50 10 biogenic GHCARN Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)no1 ZINC000016056051 570314590 /nfs/dbraw/zinc/31/45/90/570314590.db2.gz IQOVGLTVTWXASG-MRXNPFEDSA-N 0 0 381.432 3.883 50 10 GHCARN Cc1ccc2nsnc2c1S(=O)(=O)Nc1ccccc1Br ZINC000005260188 570660188 /nfs/dbraw/zinc/66/01/88/570660188.db2.gz GOMFTRWINCBSDW-UHFFFAOYSA-N 0 0 384.280 3.563 50 10 GHCARN O=C1NC(=S)NC(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000017208849 570702061 /nfs/dbraw/zinc/70/20/61/570702061.db2.gz PNVVBTXCBFYHNN-UHFFFAOYSA-N 0 0 397.887 3.657 50 10 GHCARN CCN(CC)c1ccc(/C=c2/sc3nnc(-c4ccccc4C)n3c2=O)cc1 ZINC000013108907 570746592 /nfs/dbraw/zinc/74/65/92/570746592.db2.gz OHBSLURBCZIRKJ-XMHGGMMESA-N 0 0 390.512 3.520 50 10 GHCARN CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C1/C(=O)Nc2ccccc21 ZINC000013381964 570754012 /nfs/dbraw/zinc/75/40/12/570754012.db2.gz CJRATXGHEDFZSV-FOCLMDBBSA-N 0 0 382.217 3.578 50 10 GHCARN O=C(NCc1ccccc1)c1c2ccccn2c2c1C(=O)c1ccccc1C2=O ZINC000013732528 570783192 /nfs/dbraw/zinc/78/31/92/570783192.db2.gz FUGGXQQESYGZJI-UHFFFAOYSA-N 0 0 380.403 3.645 50 10 GHCARN COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c(C)noc3C)c2C)cc1 ZINC000003301690 570853539 /nfs/dbraw/zinc/85/35/39/570853539.db2.gz ACENETIJNYTROC-UHFFFAOYSA-N 0 0 382.416 3.747 50 10 GHCARN Cc1cc(C(=O)COc2cnn(C)c2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000170600326 570858169 /nfs/dbraw/zinc/85/81/69/570858169.db2.gz RDDDUDKNXYNISX-UHFFFAOYSA-N 0 0 375.375 3.691 50 10 GHCARN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](CCc3noc(C)n3)C2)cc1 ZINC000675024016 840929753 /nfs/dbraw/zinc/92/97/53/840929753.db2.gz JYWKSIQCIJPQNX-SFHVURJKSA-N 0 0 378.476 3.880 50 10 GHCARN Cc1nnc2n1N[C@@H](c1ccc(N(C)C)cc1)[C@@H](C(=O)c1ccc(C)cc1)S2 ZINC000003258355 862286752 /nfs/dbraw/zinc/28/67/52/862286752.db2.gz HUMULPMOVXZNNX-ICSRJNTNSA-N 0 0 393.516 3.603 50 10 GHCARN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1csc(-c2ccccn2)n1 ZINC000057997185 862311559 /nfs/dbraw/zinc/31/15/59/862311559.db2.gz ZMMDEWZDUQBHTG-UHFFFAOYSA-N 0 0 380.517 3.862 50 10 GHCARN COc1ccc(C=C2SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)cc1OC ZINC000004193758 862854928 /nfs/dbraw/zinc/85/49/28/862854928.db2.gz JOOLBNYSBJFLRV-WQRHYEAKSA-N 0 0 397.456 3.745 50 10 GHCARN COc1ccccc1N1CCN(c2cccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC000020070023 860482164 /nfs/dbraw/zinc/48/21/64/860482164.db2.gz RQOLIPWWXUQZDS-UHFFFAOYSA-N 0 0 398.462 3.797 50 10 GHCARN O=C(/C=C/c1cnccn1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000095365056 885410530 /nfs/dbraw/zinc/41/05/30/885410530.db2.gz MFIUHUJPWJCSDJ-ZZXKWVIFSA-N 0 0 379.441 3.556 50 10 GHCARN Cn1ccnc1COc1ccc(C=C2SC(NC3CCCCC3)=NC2=O)cc1 ZINC000097152208 203835991 /nfs/dbraw/zinc/83/59/91/203835991.db2.gz DJYXFHCBEFIMBY-QGOAFFKASA-N 0 0 396.516 3.892 50 10 GHCARN COc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccccc3)C2=O)cc1 ZINC000003091893 203984545 /nfs/dbraw/zinc/98/45/45/203984545.db2.gz VKVJCPLBXBKFBJ-PTNGSMBKSA-N 0 0 385.470 3.633 50 10 GHCARN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1O ZINC000004838680 204080524 /nfs/dbraw/zinc/08/05/24/204080524.db2.gz PLXAIJJIWQHOTB-DHDCSXOGSA-N 0 0 388.426 3.715 50 10 GHCARN CCc1ccccc1-n1cccc1/C=C1/C(=N)N2C(SC)=NSC2=NC1=O ZINC000004909284 204090351 /nfs/dbraw/zinc/09/03/51/204090351.db2.gz ZHTTUBKAXPBHRF-PLGUFMGPSA-N 0 0 395.513 3.979 50 10 GHCARN C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(Br)cc3)S2)C[C@H](C)O1 ZINC000004614662 204058240 /nfs/dbraw/zinc/05/82/40/204058240.db2.gz UCXZZOXSGKTSOF-UDDXXMGHSA-N 0 0 381.295 3.529 50 10 GHCARN O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000005172455 204116118 /nfs/dbraw/zinc/11/61/18/204116118.db2.gz KGAUDSHJZCUFLS-ZROIWOOFSA-N 0 0 387.398 3.909 50 10 GHCARN COCCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S ZINC000005052097 204107269 /nfs/dbraw/zinc/10/72/69/204107269.db2.gz KBHQKUYHZSGTNT-XNTDXEJSSA-N 0 0 390.442 3.702 50 10 GHCARN O=C1c2ccccc2-c2onc3c2c1c(NCCO)cc3N1CCCCCC1 ZINC000006737951 204197418 /nfs/dbraw/zinc/19/74/18/204197418.db2.gz UGNXLCOCDSEXCX-UHFFFAOYSA-N 0 0 377.444 3.824 50 10 GHCARN COc1cc(/C=C2\SC(N3CCCCCC3)=NC2=O)cc(OC)c1OC ZINC000013547680 204494615 /nfs/dbraw/zinc/49/46/15/204494615.db2.gz OHVAIHPVLHIYLX-VBKFSLOCSA-N 0 0 376.478 3.559 50 10 GHCARN CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCCCC2)cc1 ZINC000022204169 204775891 /nfs/dbraw/zinc/77/58/91/204775891.db2.gz ALSDSRCOWVOSGV-FXBPSFAMSA-N 0 0 377.488 3.536 50 10 GHCARN Cc1cc(C(=O)Nc2ccc(N3CCOCC3)nc2)c(C)n1-c1ccccc1 ZINC000022994685 204795128 /nfs/dbraw/zinc/79/51/28/204795128.db2.gz FRICQBNLMHQJNZ-UHFFFAOYSA-N 0 0 376.460 3.578 50 10 GHCARN C[C@@H](NC(=O)c1coc(COc2cccc3cccnc32)n1)c1ccccc1O ZINC000067804823 205261103 /nfs/dbraw/zinc/26/11/03/205261103.db2.gz VAVFRVUIKMUWCD-CQSZACIVSA-N 0 0 389.411 3.998 50 10 GHCARN Nc1ccc(Cn2cnc(-c3nc(-c4ccc(Br)cc4)no3)c2)cc1 ZINC000067341782 205247805 /nfs/dbraw/zinc/24/78/05/205247805.db2.gz VFSLZASLNZXIGH-UHFFFAOYSA-N 0 0 396.248 3.993 50 10 GHCARN CCOc1ccc(-n2c(C)cc(C(=O)COc3ccc(C(N)=O)cc3)c2C)cc1 ZINC000006289965 220927006 /nfs/dbraw/zinc/92/70/06/220927006.db2.gz WOZYLKSZVFBDLD-UHFFFAOYSA-N 0 0 392.455 3.853 50 10 GHCARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000000909696 570229473 /nfs/dbraw/zinc/22/94/73/570229473.db2.gz SFSPIFZWINQRPM-HXUWFJFHSA-N 0 0 378.476 3.636 50 10 GHCARN CCN1C(=O)C(=Cc2ccc(-c3ccc(C(C)=O)cc3)o2)C(=O)N(CC)C1=S ZINC000001158177 570251036 /nfs/dbraw/zinc/25/10/36/570251036.db2.gz QQDSEZACXVUURN-UHFFFAOYSA-N 0 0 396.468 3.528 50 10 GHCARN Oc1cc2c(cc1[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)OCO2 ZINC000020745066 570279053 /nfs/dbraw/zinc/27/90/53/570279053.db2.gz RSRXHKPLBDWUTH-SFHVURJKSA-N 0 0 382.243 3.849 50 10 GHCARN CCOC(=O)COc1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1 ZINC000012413395 570656315 /nfs/dbraw/zinc/65/63/15/570656315.db2.gz OTAQWQRIJDKLEF-PDGQHHTCSA-N 0 0 381.453 3.998 50 10 GHCARN CCCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2c(C[NH+](C)C)c1[O-] ZINC000000941923 570732229 /nfs/dbraw/zinc/73/22/29/570732229.db2.gz KJHRDNNKNHKYDW-UHFFFAOYSA-N 0 0 381.428 3.908 50 10 biogenic GHCARN CCCNc1nc(-c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cs1 ZINC000013069621 570745045 /nfs/dbraw/zinc/74/50/45/570745045.db2.gz PXGREMFAOAFZQT-UHFFFAOYSA-N 0 0 390.534 3.687 50 10 GHCARN CCN1C(=O)/C(=C/c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)SC1=S ZINC000001015958 570746659 /nfs/dbraw/zinc/74/66/59/570746659.db2.gz YZUDZDTUPGJYFM-DHDCSXOGSA-N 0 0 390.442 3.988 50 10 GHCARN COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000001196147 570792847 /nfs/dbraw/zinc/79/28/47/570792847.db2.gz SYGTWLXVSHCVNS-HRYODUOUSA-N 0 0 396.270 3.845 50 10 GHCARN NC(=O)CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccco1 ZINC000044085410 570862326 /nfs/dbraw/zinc/86/23/26/570862326.db2.gz NONRSQHHRBIZIQ-UHFFFAOYSA-N 0 0 392.278 3.531 50 10 GHCARN CCCc1ccc([C@H](C)NC(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000013323189 570895318 /nfs/dbraw/zinc/89/53/18/570895318.db2.gz XDLBMVCWIOHUTF-IBGZPJMESA-N 0 0 395.547 3.647 50 10 GHCARN CCC(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000023181507 570944122 /nfs/dbraw/zinc/94/41/22/570944122.db2.gz VVQIVVCYGKKCRM-KKSFZXQISA-N 0 0 387.549 3.535 50 10 GHCARN COc1ccccc1NC(=O)CN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000001256325 570950870 /nfs/dbraw/zinc/95/08/70/570950870.db2.gz JACILMGOGWRKOA-ZROIWOOFSA-N 0 0 390.511 3.597 50 10 GHCARN CC1=NNC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O ZINC000022130625 838226442 /nfs/dbraw/zinc/22/64/42/838226442.db2.gz MGJTYNRYHNEGDB-PDGQHHTCSA-N 0 0 396.406 3.535 50 10 GHCARN CCCCN1C(=O)C(=Cc2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)NC1=S ZINC000002818394 846675588 /nfs/dbraw/zinc/67/55/88/846675588.db2.gz HUNMGLGNNKLFAV-FOWTUZBSSA-N 0 0 398.444 3.653 50 10 GHCARN Cc1ccc(C)n1-c1ccc(C(=O)NCCc2noc(-c3ccncc3)n2)cc1 ZINC000169768014 859749863 /nfs/dbraw/zinc/74/98/63/859749863.db2.gz GVWQDIOLRINCDR-UHFFFAOYSA-N 0 0 387.443 3.512 50 10 GHCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3coc4ccccc4c3=O)C2=N)S1 ZINC000020332211 860547519 /nfs/dbraw/zinc/54/75/19/860547519.db2.gz JCROODVGXHFNRV-PBVFITIYSA-N 0 0 394.456 3.992 50 10 GHCARN CN(C)c1ccc(/C=C\C(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 ZINC000096179403 860800152 /nfs/dbraw/zinc/80/01/52/860800152.db2.gz WPBWJDKQRMYLOO-UVTDQMKNSA-N 0 0 378.520 3.858 50 10 GHCARN COc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1Br ZINC000001405969 203905927 /nfs/dbraw/zinc/90/59/27/203905927.db2.gz JOTCORZNQPWTPE-UHFFFAOYSA-N 0 0 381.222 3.602 50 10 GHCARN O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000001417238 203907588 /nfs/dbraw/zinc/90/75/88/203907588.db2.gz KHEBCEFKKNGQHO-OMCISZLKSA-N 0 0 385.422 3.550 50 10 GHCARN Cc1cc(C(=O)OCC(=O)N2CCc3ccccc3C2)c(C)n1-c1ccccc1 ZINC000003224076 203990514 /nfs/dbraw/zinc/99/05/14/203990514.db2.gz ZOZSTCOXNNMLLZ-UHFFFAOYSA-N 0 0 388.467 3.836 50 10 GHCARN COc1cccc(CNn2c(=O)c3ccccc3nc2-c2cccc(C)c2)c1O ZINC000004034487 204023957 /nfs/dbraw/zinc/02/39/57/204023957.db2.gz QFWWHKPAAVZBEL-UHFFFAOYSA-N 0 0 387.439 3.830 50 10 GHCARN Cc1cc(C)cc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(N(C)C)cc2)c1 ZINC000004189213 204031207 /nfs/dbraw/zinc/03/12/07/204031207.db2.gz URPKTGWJEJGRBO-HXUWFJFHSA-N 0 0 394.544 3.801 50 10 GHCARN O=S(=O)(c1ccccc1)N1N=C(c2cccs2)C[C@H]1c1ccccc1O ZINC000004248188 204034415 /nfs/dbraw/zinc/03/44/15/204034415.db2.gz COXATANIZCLHHA-KRWDZBQOSA-N 0 0 384.482 3.994 50 10 GHCARN CC(=C\c1ccccc1)/C=C1\SC(=S)N(NC(=O)c2cccc(O)c2)C1=O ZINC000004567478 204054862 /nfs/dbraw/zinc/05/48/62/204054862.db2.gz OMDGPBKEAHNZFQ-NEOBQEPSSA-N 0 0 396.493 3.885 50 10 GHCARN COc1cccc(CNc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C)c1O ZINC000004625754 204058630 /nfs/dbraw/zinc/05/86/30/204058630.db2.gz DVOFUESPDGSYMW-UHFFFAOYSA-N 0 0 380.492 3.886 50 10 GHCARN CCOC(=O)c1sc(N2N=C(C)/C(=C\c3ccc(N(C)C)cc3)C2=O)nc1C ZINC000004663107 204061283 /nfs/dbraw/zinc/06/12/83/204061283.db2.gz FNYSIEFJKMCANZ-LFIBNONCSA-N 0 0 398.488 3.500 50 10 GHCARN Cc1cc(C)cc(OS(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC000005234106 204120045 /nfs/dbraw/zinc/12/00/45/204120045.db2.gz PTEIVJJKLQSFCN-UHFFFAOYSA-N 0 0 392.432 3.847 50 10 GHCARN CCOC(=O)c1cc2ccc3c(c2oc1=O)CN(c1ccc(OCC)cc1)CO3 ZINC000006900559 204223291 /nfs/dbraw/zinc/22/32/91/204223291.db2.gz NYBCKPHXIJCSIA-UHFFFAOYSA-N 0 0 395.411 3.725 50 10 GHCARN Cc1cc(C(=O)CSc2ncc(-c3ccccc3)n2C)c(C)n1-c1nc[nH]n1 ZINC000008344313 204272922 /nfs/dbraw/zinc/27/29/22/204272922.db2.gz BLACAMYLAAEHFT-UHFFFAOYSA-N 0 0 392.488 3.588 50 10 GHCARN COc1ccc(-n2c(C)cc(CNS(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000009527509 204313708 /nfs/dbraw/zinc/31/37/08/204313708.db2.gz ZKGAACZCHOHUKC-UHFFFAOYSA-N 0 0 384.501 3.890 50 10 GHCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnn(-c2ccccc2)n1 ZINC000010962566 204340873 /nfs/dbraw/zinc/34/08/73/204340873.db2.gz KJECXHZMSXXGBP-UHFFFAOYSA-N 0 0 375.476 3.530 50 10 GHCARN COc1ccc(N2CCN(C(=O)C[C@@H](c3cccs3)n3cccc3)CC2)cc1 ZINC000020997185 204749187 /nfs/dbraw/zinc/74/91/87/204749187.db2.gz CBEVRUBGTWWTDL-FQEVSTJZSA-N 0 0 395.528 3.887 50 10 GHCARN CN(C)c1ccc(CNC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 ZINC000051364608 205133714 /nfs/dbraw/zinc/13/37/14/205133714.db2.gz DNGOOOZTIXJDAX-FQEVSTJZSA-N 0 0 387.483 3.589 50 10 GHCARN COC(=O)C1=CN(c2cc(Cl)ccc2C)c2ccc(F)cc2S1(=O)=O ZINC000263619004 206185026 /nfs/dbraw/zinc/18/50/26/206185026.db2.gz WLQFKBUWACPPAE-UHFFFAOYSA-N 0 0 381.812 3.727 50 10 GHCARN COc1ccc2ccc(O)c(CN3CCCc4cc(S(C)(=O)=O)ccc43)c2c1 ZINC000059578956 136155667 /nfs/dbraw/zinc/15/56/67/136155667.db2.gz NYVXUCXQJUUKRL-UHFFFAOYSA-N 0 0 397.496 3.910 50 10 GHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1Br ZINC000010906778 136199496 /nfs/dbraw/zinc/19/94/96/136199496.db2.gz NFPDFUXZJFRYIH-UHFFFAOYSA-N 0 0 389.293 3.558 50 10 GHCARN CC1(C)OC(=O)C(C=Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)O1 ZINC000001037670 570237263 /nfs/dbraw/zinc/23/72/63/570237263.db2.gz XMPSVXUZYWFNRT-UHFFFAOYSA-N 0 0 383.244 3.856 50 10 GHCARN CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N(C)C1=O ZINC000001050303 570238740 /nfs/dbraw/zinc/23/87/40/570238740.db2.gz IKPXSRBMIPCSIF-UHFFFAOYSA-N 0 0 379.199 3.687 50 10 GHCARN COc1ccc(N2CCN(C(=O)COc3cccc4ccccc43)CC2)cc1 ZINC000001121427 570243828 /nfs/dbraw/zinc/24/38/28/570243828.db2.gz RGBJARUQSUETLP-UHFFFAOYSA-N 0 0 376.456 3.576 50 10 GHCARN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCCc1ccc(Cl)cc1 ZINC000100149197 570307641 /nfs/dbraw/zinc/30/76/41/570307641.db2.gz DXLAHTVUVJKSSW-LDADJPATSA-N 0 0 384.823 3.687 50 10 GHCARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1ccc(OC)cc1OC ZINC000100207992 570327210 /nfs/dbraw/zinc/32/72/10/570327210.db2.gz DYAYBPQZKFZOKL-CPNJWEJPSA-N 0 0 393.439 3.971 50 10 GHCARN C[C@H]1CCCC[C@]12NC(=O)N(CN(C)Cc1ccc(N3CCCCC3)cc1)C2=O ZINC000023653299 570368282 /nfs/dbraw/zinc/36/82/82/570368282.db2.gz UQEQEIIUUFHENS-MBSDFSHPSA-N 0 0 398.551 3.567 50 10 GHCARN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccccc2NS(C)(=O)=O)cc1 ZINC000024885569 570407425 /nfs/dbraw/zinc/40/74/25/570407425.db2.gz HLMYKULFJAJPCJ-UHFFFAOYSA-N 0 0 383.473 3.718 50 10 GHCARN CC1=CC2=NC(=O)/C(=C\c3cccn3CCOc3cc(C)cc(C)c3)C(=N)N2O1 ZINC000032969683 570554904 /nfs/dbraw/zinc/55/49/04/570554904.db2.gz YEGGYOHIXFAKCM-CUVVSLBBSA-N 0 0 390.443 3.634 50 10 GHCARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 ZINC000012413425 570656303 /nfs/dbraw/zinc/65/63/03/570656303.db2.gz UKMVUPTUCKHQLW-RGEXLXHISA-N 0 0 391.423 3.741 50 10 GHCARN CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O ZINC000005781449 570670525 /nfs/dbraw/zinc/67/05/25/570670525.db2.gz TVDPCUCTYBXINS-MHWRWJLKSA-N 0 0 388.265 3.769 50 10 GHCARN CCc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3O)C2=O)cc1 ZINC000001186720 570792127 /nfs/dbraw/zinc/79/21/27/570792127.db2.gz MLWXOPTYDBELFI-BOPFTXTBSA-N 0 0 398.509 3.795 50 10 GHCARN CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)NC1=S ZINC000013942809 570807089 /nfs/dbraw/zinc/80/70/89/570807089.db2.gz ISFNSXIHYAKDED-XFFZJAGNSA-N 0 0 381.240 3.510 50 10 GHCARN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000004541597 570854487 /nfs/dbraw/zinc/85/44/87/570854487.db2.gz ZMCFGQNWPLOQDQ-UHFFFAOYSA-N 0 0 392.411 3.618 50 10 GHCARN COC(=O)Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(C)cc1 ZINC000044085942 570862777 /nfs/dbraw/zinc/86/27/77/570862777.db2.gz YLONQUMOOGRIIQ-UHFFFAOYSA-N 0 0 395.484 3.762 50 10 GHCARN COc1ccc(-c2cc3ccc([O-])c(C[NH+]4CCCC4)c3oc2=O)cc1OC ZINC000001237922 570947902 /nfs/dbraw/zinc/94/79/02/570947902.db2.gz SBBPSSHBFOXAGV-UHFFFAOYSA-N 0 0 381.428 3.779 50 10 biogenic GHCARN CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C)oc2c(C[NH+](C)C)c1[O-] ZINC000000638443 203822913 /nfs/dbraw/zinc/82/29/13/203822913.db2.gz HZPUUACPCDVOAH-UHFFFAOYSA-N 0 0 395.455 3.869 50 10 biogenic GHCARN COc1ccc2c3ccc(OCC(=O)NC4CCCCC4)cc3oc(=O)c2c1 ZINC000001130600 203886685 /nfs/dbraw/zinc/88/66/85/203886685.db2.gz OVYJLQGRKUOMMA-UHFFFAOYSA-N 0 0 381.428 3.783 50 10 GHCARN CCC1=NN2C(=NC(=O)/C(=C\c3ccc(OC(=O)c4ccco4)cc3)C2=N)S1 ZINC000004694962 204065147 /nfs/dbraw/zinc/06/51/47/204065147.db2.gz IJOHLTYEFLRHSB-WMQSWVATSA-N 0 0 394.412 3.528 50 10 GHCARN CC1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 ZINC000004746567 204073481 /nfs/dbraw/zinc/07/34/81/204073481.db2.gz MHOMSORAFNFTOU-NTCAYCPXSA-N 0 0 394.587 3.988 50 10 GHCARN CN1C(=O)/C(=C\c2cc(Br)c(Br)o2)SC1=S ZINC000005719679 204149160 /nfs/dbraw/zinc/14/91/60/204149160.db2.gz QXIPPEDBKWPYFQ-ZZXKWVIFSA-N 0 0 383.086 3.636 50 10 GHCARN Cc1c([O-])c(C[NH2+]C[C@@H]2CCCO2)cc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000006719731 204194743 /nfs/dbraw/zinc/19/47/43/204194743.db2.gz DZHBDCLKZYKEAM-IBGZPJMESA-N 0 0 393.483 3.975 50 10 GHCARN O=C1c2ccccc2-c2onc3c2c1c(N1CCOCC1)cc3N1CCCCC1 ZINC000006737877 204197337 /nfs/dbraw/zinc/19/73/37/204197337.db2.gz RVFQNGBERDCZOR-UHFFFAOYSA-N 0 0 389.455 3.866 50 10 GHCARN CC(C)OC(=O)c1ccc(-c2ccc(C=C3C(=O)OC(C)(C)OC3=O)o2)cc1 ZINC000006754422 204200489 /nfs/dbraw/zinc/20/04/89/204200489.db2.gz YMBQLOISHLQMED-UHFFFAOYSA-N 0 0 384.384 3.731 50 10 GHCARN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3C)SC2=S)cc1 ZINC000006925026 204225610 /nfs/dbraw/zinc/22/56/10/204225610.db2.gz GHLISXPGCCJUAR-LFIBNONCSA-N 0 0 384.482 3.550 50 10 GHCARN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1ccc(N2CCOCC2)cc1 ZINC000007586194 204243652 /nfs/dbraw/zinc/24/36/52/204243652.db2.gz FIUJDXAYYGPHDX-LGMDPLHJSA-N 0 0 393.512 3.856 50 10 GHCARN CCOC(=O)c1sc(N2N=C(C)/C(=C\c3ccc(C)s3)C2=O)nc1C ZINC000008306612 204270642 /nfs/dbraw/zinc/27/06/42/204270642.db2.gz HEWBHTGWKSVZBK-MDWZMJQESA-N 0 0 375.475 3.804 50 10 GHCARN CCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCc3ccccc32)c1 ZINC000009661513 204319110 /nfs/dbraw/zinc/31/91/10/204319110.db2.gz OVNXRQRKTMAKEV-UHFFFAOYSA-N 0 0 398.466 3.752 50 10 GHCARN COc1ccc(N2CCN(c3nccn4nc(-c5ccccc5)cc34)CC2)cc1 ZINC000033266310 204953436 /nfs/dbraw/zinc/95/34/36/204953436.db2.gz OPXQWWPTOWTDHK-UHFFFAOYSA-N 0 0 385.471 3.732 50 10 GHCARN CCN(CC)c1ccc(/C=C2\N=C(c3ccc(NC(C)=O)cc3)OC2=O)cc1 ZINC000000675951 205694186 /nfs/dbraw/zinc/69/41/86/205694186.db2.gz XSQMOVOYOJONKW-ZHZULCJRSA-N 0 0 377.444 3.836 50 10 GHCARN CC1(C)OC(=O)C(=Cc2ccc(N3CCC(C(F)(F)F)CC3)cc2)C(=O)O1 ZINC000263640044 206184866 /nfs/dbraw/zinc/18/48/66/206184866.db2.gz USRBAKLBJOYIQC-UHFFFAOYSA-N 0 0 383.366 3.685 50 10 GHCARN COC(OC)(c1[nH]nc2c1ccc1c2C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000004817781 206214517 /nfs/dbraw/zinc/21/45/17/206214517.db2.gz ARZFYNKIHZOZHO-UHFFFAOYSA-N 0 0 398.418 3.832 50 10 GHCARN Cc1cc(C)cc(OCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 ZINC000012062721 221146971 /nfs/dbraw/zinc/14/69/71/221146971.db2.gz XJHSPSZSQIYXOE-QFIPXVFZSA-N 0 0 396.531 3.956 50 10 GHCARN C[C@H]1CN(c2ccc(CNC(=O)c3cn(C)c4ccccc34)cc2F)C[C@H](C)O1 ZINC000065475758 136163971 /nfs/dbraw/zinc/16/39/71/136163971.db2.gz GTRURBXULHNHMT-HOTGVXAUSA-N 0 0 395.478 3.861 50 10 GHCARN COc1ccc([C@H]2CC(c3cc(Br)ccc3O)=NN2)cc1OC ZINC000001463805 570229877 /nfs/dbraw/zinc/22/98/77/570229877.db2.gz PVYDRMXIVHTQDK-CYBMUJFWSA-N 0 0 377.238 3.611 50 10 GHCARN Cc1ccc(C)c(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(N(C)C)cc2)c1 ZINC000001137946 570247473 /nfs/dbraw/zinc/24/74/73/570247473.db2.gz XINZFLXOMLCNSS-FQEVSTJZSA-N 0 0 394.544 3.801 50 10 GHCARN O=C(C1=CN(c2ccc(Cl)cc2)c2ccccc2S1(=O)=O)N1CCCC1 ZINC000049003779 570261716 /nfs/dbraw/zinc/26/17/16/570261716.db2.gz YGYQZKJWOVQOCC-UHFFFAOYSA-N 0 0 388.876 3.729 50 10 GHCARN CN(C)c1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000001417230 570262519 /nfs/dbraw/zinc/26/25/19/570262519.db2.gz USAHODNQAJJJIC-RQZCQDPDSA-N 0 0 384.482 3.887 50 10 GHCARN CSc1ccc(C(=O)c2coc3ccc(O)c(CN4CCOCC4)c32)cc1 ZINC000218519554 570335968 /nfs/dbraw/zinc/33/59/68/570335968.db2.gz UZPXTLBLCUIHHK-UHFFFAOYSA-N 0 0 383.469 3.924 50 10 GHCARN COc1ccc(N2CCN(Cc3cc(=O)oc4ccc(Cl)cc34)CC2)cc1 ZINC000054147542 570450582 /nfs/dbraw/zinc/45/05/82/570450582.db2.gz XOAWGABLPXPHPD-UHFFFAOYSA-N 0 0 384.863 3.777 50 10 aggregator GHCARN Oc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)cc1O ZINC000035606419 570555670 /nfs/dbraw/zinc/55/56/70/570555670.db2.gz FUIRFQQDHSRRGC-UHFFFAOYSA-N 0 0 375.384 3.927 50 10 GHCARN O=c1cc(-c2cc3ccccc3oc2=O)c2ccc([O-])c(C[NH+]3CCCC3)c2o1 ZINC000004353802 570691003 /nfs/dbraw/zinc/69/10/03/570691003.db2.gz QITCTCYYUNZGMV-UHFFFAOYSA-N 0 0 389.407 3.868 50 10 biogenic GHCARN O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)NCc1ccco1 ZINC000000924820 570725902 /nfs/dbraw/zinc/72/59/02/570725902.db2.gz XKLMZZVDIGSWTM-GOSISDBHSA-N 0 0 397.500 3.731 50 10 GHCARN Cc1c(Cl)cccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(C)C)cc1 ZINC000000976030 570741751 /nfs/dbraw/zinc/74/17/51/570741751.db2.gz SYUVIODKKFKXAV-IBGZPJMESA-N 0 0 398.894 3.981 50 10 GHCARN COc1ccc([C@]2(c3ccc(O)cc3O)C[C@@H](c3ccco3)NC(=S)N2)cc1 ZINC000001072534 570751666 /nfs/dbraw/zinc/75/16/66/570751666.db2.gz KXWJJGUWUDIHFH-UWJYYQICSA-N 0 0 396.468 3.552 50 10 GHCARN COC(=O)c1sc2nc(C(F)(F)F)c(C(=O)c3cccs3)cc2c1N ZINC000013653903 570767176 /nfs/dbraw/zinc/76/71/76/570767176.db2.gz CAMMEHMNUXGENR-UHFFFAOYSA-N 0 0 386.376 3.976 50 10 GHCARN COc1ccc(-c2cc3ccc([O-])c(C[NH2+]CC(C)C)c3oc2=O)cc1OC ZINC000013722200 570780404 /nfs/dbraw/zinc/78/04/04/570780404.db2.gz ADGRFBHWJWIXRI-UHFFFAOYSA-N 0 0 383.444 3.928 50 10 GHCARN COc1ccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1 ZINC000013748540 570784669 /nfs/dbraw/zinc/78/46/69/570784669.db2.gz BBNYSPPNXZCGPS-RGEXLXHISA-N 0 0 397.475 3.627 50 10 GHCARN CC(=O)N(c1nc(C=C2SC(=S)NC2=O)cs1)c1ccc(F)cc1F ZINC000015187979 570786999 /nfs/dbraw/zinc/78/69/99/570786999.db2.gz OLRGDPYIDKTIOX-XGICHPGQSA-N 0 0 397.453 3.595 50 10 GHCARN COc1cc(OC)cc(C2=NN(C(=O)c3ccco3)[C@H](c3ccccc3O)C2)c1 ZINC000170615735 570873301 /nfs/dbraw/zinc/87/33/01/570873301.db2.gz YHLDSIVAPPSQRI-IBGZPJMESA-N 0 0 392.411 3.994 50 10 GHCARN CCC(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000023181500 570944260 /nfs/dbraw/zinc/94/42/60/570944260.db2.gz VVQIVVCYGKKCRM-HRAATJIYSA-N 0 0 387.549 3.535 50 10 GHCARN CC[C@@H](C)N1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)NC1=S ZINC000004873023 842798220 /nfs/dbraw/zinc/79/82/20/842798220.db2.gz NTUUOWUQNNUIOZ-VCRXTVNUSA-N 0 0 395.528 3.828 50 10 GHCARN COCCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S ZINC000002834791 861680054 /nfs/dbraw/zinc/68/00/54/861680054.db2.gz NZMSAUPQTSJXMG-GDNBJRDFSA-N 0 0 390.442 3.702 50 10 GHCARN COc1ccc(OC)c(-c2cc3ccc([O-])c(C[NH+]4CCCC4)c3oc2=O)c1 ZINC000004085524 862768568 /nfs/dbraw/zinc/76/85/68/862768568.db2.gz SWCNRZPDEOAADZ-UHFFFAOYSA-N 0 0 381.428 3.779 50 10 biogenic GHCARN O=C1/C(=C/c2coc3ccc(O)cc3c2=O)SC(=S)N1Cc1ccccc1 ZINC000002242077 860444188 /nfs/dbraw/zinc/44/41/88/860444188.db2.gz PYAZDIRQWQQTGA-IUXPMGMMSA-N 0 0 395.461 3.900 50 10 GHCARN COc1ccc(-c2coc3c(ccc([O-])c3C[NH+]3CCCC3)c2=O)cc1OC ZINC000020411434 860567242 /nfs/dbraw/zinc/56/72/42/860567242.db2.gz TZXDLAGDEKDERO-UHFFFAOYSA-N 0 0 381.428 3.779 50 10 biogenic GHCARN Cc1cc(-c2ccc(C)c(S(=O)(=O)NCc3ccc(N(C)C)cc3)c2)on1 ZINC000020580377 860613044 /nfs/dbraw/zinc/61/30/44/860613044.db2.gz JDRUXCHATWQJMO-UHFFFAOYSA-N 0 0 385.489 3.503 50 10 GHCARN COc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000020921930 860673306 /nfs/dbraw/zinc/67/33/06/860673306.db2.gz HLYYXTLBEKAVQI-DHDCSXOGSA-N 0 0 389.429 3.542 50 10 GHCARN CCCCOc1ccc(C(=O)NC2=N[C@H](c3ccc(C)cc3)CC(=O)N2)cc1 ZINC000020924301 860673896 /nfs/dbraw/zinc/67/38/96/860673896.db2.gz PMUZFRGZURDXQB-IBGZPJMESA-N 0 0 379.460 3.521 50 10 GHCARN COc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccccc3O)C2)c(OC)c1 ZINC000095945221 860710382 /nfs/dbraw/zinc/71/03/82/860710382.db2.gz UJAYTKGJFMJTJY-GOSISDBHSA-N 0 0 392.411 3.994 50 10 GHCARN COc1ccc(C(=O)C2CCN(C(=O)C=Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC000026132328 870860126 /nfs/dbraw/zinc/86/01/26/870860126.db2.gz QVWLDWGZDATLCH-AWNIVKPZSA-N 0 0 392.499 3.896 50 10 GHCARN COc1ccc(-c2cc3ccc([O-])c(C[NH+]4CCCC4)c3oc2=O)c(OC)c1 ZINC000004084911 204026723 /nfs/dbraw/zinc/02/67/23/204026723.db2.gz LDYSAUNMMYGANF-UHFFFAOYSA-N 0 0 381.428 3.779 50 10 biogenic GHCARN O=C1S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccccc1F ZINC000004674939 204062009 /nfs/dbraw/zinc/06/20/09/204062009.db2.gz MIUHQMHQFPCGFF-CPNJWEJPSA-N 0 0 398.459 3.899 50 10 GHCARN O=C(Cc1cccc2ccccc21)NN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000005523865 204137895 /nfs/dbraw/zinc/13/78/95/204137895.db2.gz HVTVORNDIBNDEU-SFQUDFHCSA-N 0 0 394.477 3.908 50 10 GHCARN O=C1N/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccc(F)cc1 ZINC000006269168 204172407 /nfs/dbraw/zinc/17/24/07/204172407.db2.gz PYGINVLQWBIKOM-ZHZULCJRSA-N 0 0 379.435 3.909 50 10 GHCARN COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccc(O)c3)c2C)cc1 ZINC000006329550 204174689 /nfs/dbraw/zinc/17/46/89/204174689.db2.gz SFBMIIHHZBEBNC-UHFFFAOYSA-N 0 0 379.412 3.848 50 10 GHCARN COc1cccc(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1 ZINC000007988927 204257781 /nfs/dbraw/zinc/25/77/81/204257781.db2.gz GTEZTBPBGLHBCP-JOCHJYFZSA-N 0 0 382.504 3.512 50 10 GHCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1nc2ccccc2n1C ZINC000009516580 204313534 /nfs/dbraw/zinc/31/35/34/204313534.db2.gz JJLHXCCBQYXWRD-UHFFFAOYSA-N 0 0 391.519 3.905 50 10 GHCARN CC(=O)N[C@H](CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1cccs1 ZINC000009975982 204329487 /nfs/dbraw/zinc/32/94/87/204329487.db2.gz WPQDJJVMWCTOQM-HXUWFJFHSA-N 0 0 399.560 3.964 50 10 GHCARN CSc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000010113207 204329697 /nfs/dbraw/zinc/32/96/97/204329697.db2.gz WPJYLNTXFNWWHE-UHFFFAOYSA-N 0 0 376.547 3.877 50 10 GHCARN Cc1c2cc(F)ccc2oc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000010907302 204340528 /nfs/dbraw/zinc/34/05/28/204340528.db2.gz VIHIQMUNBJHETO-UHFFFAOYSA-N 0 0 382.435 3.989 50 10 GHCARN Cc1oc(-c2ccccc2)nc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000010906722 204340670 /nfs/dbraw/zinc/34/06/70/204340670.db2.gz MLJLHHPTQDDLHT-UHFFFAOYSA-N 0 0 391.471 3.759 50 10 GHCARN CCC[C@@H]1CCc2c(sc(NC(=O)CCC(=O)OC)c2C(=O)OCC)C1 ZINC000022330691 204779165 /nfs/dbraw/zinc/77/91/65/204779165.db2.gz UINBGTUKVPNJLJ-GFCCVEGCSA-N 0 0 381.494 3.722 50 10 GHCARN O=C(Cc1cccc2ccccc21)NN1C(=O)/C(=C/c2ccco2)SC1=S ZINC000033681625 204966423 /nfs/dbraw/zinc/96/64/23/204966423.db2.gz HVTVORNDIBNDEU-ATVHPVEESA-N 0 0 394.477 3.908 50 10 GHCARN COc1cc2c(cc1OC)C(=O)N[C@@H](c1ccc(N3CCCCCC3)cc1)N2 ZINC000063775320 205187149 /nfs/dbraw/zinc/18/71/49/205187149.db2.gz UGYWRSPAIVCYNB-NRFANRHFSA-N 0 0 381.476 3.938 50 10 GHCARN CN(C)c1ccc(CNC(=O)CCC(=O)c2ccc(Br)cc2)cc1 ZINC000018215100 205914660 /nfs/dbraw/zinc/91/46/60/205914660.db2.gz MPRUFIZWIOTTGV-UHFFFAOYSA-N 0 0 389.293 3.794 50 10 GHCARN CC1CCN(CC(=O)N2N=C(c3ccccc3O)C[C@H]2c2cccs2)CC1 ZINC000241684831 206129632 /nfs/dbraw/zinc/12/96/32/206129632.db2.gz QFNMTDHEZFMCNI-SFHVURJKSA-N 0 0 383.517 3.863 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3cc4ccc5cccnc5c4[nH]3)CC2)cc1 ZINC000008597075 221045189 /nfs/dbraw/zinc/04/51/89/221045189.db2.gz CPEMNAHDQHXFEV-UHFFFAOYSA-N 0 0 386.455 3.687 50 10 GHCARN Cc1cc(OCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1Cl ZINC000012555737 221207161 /nfs/dbraw/zinc/20/71/61/221207161.db2.gz XRZUWLVNVMTZLE-UHFFFAOYSA-N 0 0 388.895 3.522 50 10 GHCARN CCc1c(C)c2ccc([O-])c(C[NH+]3CCN(c4ccccc4)CC3)c2oc1=O ZINC000058104636 136154302 /nfs/dbraw/zinc/15/43/02/136154302.db2.gz ILRLPVNKGNGZFX-UHFFFAOYSA-N 0 0 378.472 3.692 50 10 GHCARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 ZINC000000799798 570223933 /nfs/dbraw/zinc/22/39/33/570223933.db2.gz FWKXOPVGLUZCPY-SFHVURJKSA-N 0 0 384.867 3.673 50 10 GHCARN C[NH+]1CCN(Cc2c([O-])c(Cl)cc3c(-c4ccccc4)cc(=O)oc32)CC1 ZINC000019908967 570229297 /nfs/dbraw/zinc/22/92/97/570229297.db2.gz XFBSPFIQPJJIEQ-UHFFFAOYSA-N 0 0 384.863 3.566 50 10 GHCARN CC1CCN(C2=NN3C(=NC(=O)/C(=C/c4ccc(Cl)cc4)C3=N)S2)CC1 ZINC000020356711 570252940 /nfs/dbraw/zinc/25/29/40/570252940.db2.gz AKDKWGRAWFGPSX-DNDQVXSWSA-N 0 0 387.896 3.649 50 10 GHCARN CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c1C ZINC000020462077 570261070 /nfs/dbraw/zinc/26/10/70/570261070.db2.gz FVADFTDCXSPASK-HWCWCTJWSA-N 0 0 393.472 3.742 50 10 GHCARN CCN1C(=O)N/C(=C\c2cc(C)n(-c3ccccc3Br)c2C)C1=O ZINC000000665838 570286936 /nfs/dbraw/zinc/28/69/36/570286936.db2.gz AXKFJJUAQNIUNN-GDNBJRDFSA-N 0 0 388.265 3.769 50 10 GHCARN COCCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OC)SC1=S ZINC000002976054 570321314 /nfs/dbraw/zinc/32/13/14/570321314.db2.gz IGFXMXGAGOWDNR-WDZFZDKYSA-N 0 0 378.302 3.850 50 10 GHCARN COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c(C)c4oc32)cc(O)c1O ZINC000218289255 570330056 /nfs/dbraw/zinc/33/00/56/570330056.db2.gz HBUOWARHFQBULD-UHFFFAOYSA-N 0 0 377.356 3.958 50 10 GHCARN COc1ccnc(Cn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)c1OC ZINC000604404291 570361370 /nfs/dbraw/zinc/36/13/70/570361370.db2.gz BJGYSONEXIHDSZ-UHFFFAOYSA-N 0 0 398.418 3.673 50 10 biogenic GHCARN COc1cc([N+](=O)[O-])cc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c1[O-] ZINC000239338661 570429227 /nfs/dbraw/zinc/42/92/27/570429227.db2.gz KXCWQDNTZPHYMT-UYAOXDASSA-N 0 0 389.496 3.538 50 10 GHCARN COc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)c(OC)c1 ZINC000089434781 570452914 /nfs/dbraw/zinc/45/29/14/570452914.db2.gz MFJBFMGBOWFOOG-SFHVURJKSA-N 0 0 392.411 3.994 50 10 GHCARN CC(=O)Nc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C)cc1 ZINC000005174990 570493290 /nfs/dbraw/zinc/49/32/90/570493290.db2.gz CFQNRRPGKGJRAE-UHFFFAOYSA-N 0 0 380.473 3.776 50 10 GHCARN COc1ccc([C@H](NC(C)=O)c2cc(Cl)c3cccnc3c2O)cc1OC ZINC000000869262 570533725 /nfs/dbraw/zinc/53/37/25/570533725.db2.gz YJRRXUGZZNAGQS-SFHVURJKSA-N 0 0 386.835 3.837 50 10 GHCARN COc1cccc(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)c1 ZINC000006830924 570634285 /nfs/dbraw/zinc/63/42/85/570634285.db2.gz RWMHFWNKBOHLOD-UHFFFAOYSA-N 0 0 378.428 3.898 50 10 GHCARN CN1c2ccccc2/C(=C/c2nc3ccccc3c(=O)n2Cc2ccccc2)C1=O ZINC000013774863 570677608 /nfs/dbraw/zinc/67/76/08/570677608.db2.gz UQGUQKOSFGDIDT-HKWRFOASSA-N 0 0 393.446 3.962 50 10 GHCARN COc1ccc(N2CCN(CC(=O)Nc3cccc4ccccc43)CC2)cc1 ZINC000055562687 570696777 /nfs/dbraw/zinc/69/67/77/570696777.db2.gz RGLDDQIJBYWJDP-UHFFFAOYSA-N 0 0 375.472 3.609 50 10 GHCARN COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)CC4(CCCC4)C3=O)c2C)cc1 ZINC000032719461 570763870 /nfs/dbraw/zinc/76/38/70/570763870.db2.gz FRRWZSNYKOVWCN-UHFFFAOYSA-N 0 0 394.471 3.605 50 10 GHCARN CCOC(=O)c1oc2ccccc2c1CN1CCN(c2ccc(OC)cc2)CC1 ZINC000007489365 570850937 /nfs/dbraw/zinc/85/09/37/570850937.db2.gz YMXUGVYWIGZRPN-UHFFFAOYSA-N 0 0 394.471 3.940 50 10 GHCARN CN(CC(=O)N1CCC(c2ccccc2)=N1)Cc1ccc(N2CCCCC2)cc1 ZINC000015571610 570897678 /nfs/dbraw/zinc/89/76/78/570897678.db2.gz SHCYNLWFRBXWFH-UHFFFAOYSA-N 0 0 390.531 3.745 50 10 GHCARN C[C@@H]1CN(C2=NC(=O)/C(=C/c3cccc(Br)c3)S2)C[C@@H](C)O1 ZINC000032249587 862866805 /nfs/dbraw/zinc/86/68/05/862866805.db2.gz LLFMTYDCNKDIDJ-QOWMEECXSA-N 0 0 381.295 3.529 50 10 GHCARN CCCCC12CN3CC(C)(CN(C1)C3c1cc(Br)ccc1O)C2=O ZINC000019328681 860192854 /nfs/dbraw/zinc/19/28/54/860192854.db2.gz OWNTYCKWLIZHGG-UHFFFAOYSA-N 0 0 393.325 3.550 50 10 GHCARN O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc2nonc21 ZINC000005677783 875810502 /nfs/dbraw/zinc/81/05/02/875810502.db2.gz OQRFTHWWDZJNOP-UHFFFAOYSA-N 0 0 377.731 3.696 50 10 GHCARN O=C(c1cccs1)C1=NOC2(C(=O)c3ccccc3C2=O)[C@@H]1c1ccccc1 ZINC000004334506 204039642 /nfs/dbraw/zinc/03/96/42/204039642.db2.gz GCDXZMUPCHWSAX-QGZVFWFLSA-N 0 0 387.416 3.919 50 10 GHCARN O=C1/C(=C\c2ccc(N3CCOCC3)o2)SC(=S)N1Cc1ccccc1 ZINC000004844643 204081475 /nfs/dbraw/zinc/08/14/75/204081475.db2.gz VDKCHXGUMHDULB-FOWTUZBSSA-N 0 0 386.498 3.518 50 10 GHCARN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000004675254 204061896 /nfs/dbraw/zinc/06/18/96/204061896.db2.gz RHQSHYCMRJGXDN-DEDYPNTBSA-N 0 0 386.455 3.890 50 10 GHCARN O=C1N/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccccc1F ZINC000004688439 204064402 /nfs/dbraw/zinc/06/44/02/204064402.db2.gz VRQOIAPWZZTMMT-ZHZULCJRSA-N 0 0 379.435 3.909 50 10 GHCARN COc1cc2c(cc1OC)[C@H](c1cc(Br)ccc1O)N(C)CC2 ZINC000006667462 204190191 /nfs/dbraw/zinc/19/01/91/204190191.db2.gz JEOKXNLJLFGKND-GOSISDBHSA-N 0 0 378.266 3.749 50 10 GHCARN CC(C)Nc1cc(N2CCN(C)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006737931 204196659 /nfs/dbraw/zinc/19/66/59/204196659.db2.gz BTGHEOVYQYDFDC-UHFFFAOYSA-N 0 0 376.460 3.611 50 10 GHCARN CN(CCCNC(=O)CSc1ncc(-c2ccccc2)n1C)c1ccccc1 ZINC000007105683 204232202 /nfs/dbraw/zinc/23/22/02/204232202.db2.gz DHYITPOBIMRVBD-UHFFFAOYSA-N 0 0 394.544 3.822 50 10 GHCARN O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)NC1CCCCC1 ZINC000035640701 204280637 /nfs/dbraw/zinc/28/06/37/204280637.db2.gz CULWZZVWMXRPMA-QINSGFPZSA-N 0 0 378.519 3.710 50 10 GHCARN CN1C(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)NC1=S ZINC000009009942 204297351 /nfs/dbraw/zinc/29/73/51/204297351.db2.gz AVZUDASLUWHGRZ-QGOAFFKASA-N 0 0 391.496 3.736 50 10 GHCARN Cc1cccc(C)c1OCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000011915020 204360834 /nfs/dbraw/zinc/36/08/34/204360834.db2.gz CNTCHBFMVOZOSB-QFIPXVFZSA-N 0 0 396.531 3.956 50 10 GHCARN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1C1=C[C@H]2OCO[C@@H]2C=C1 ZINC000026771498 204848105 /nfs/dbraw/zinc/84/81/05/204848105.db2.gz XCWKBNLMOGZJKV-RUSUGFBFSA-N 0 0 382.466 3.564 50 10 GHCARN CC(=O)N1CCC2(CC1)N=C(c1ccc(C)c(C)c1)C[C@H](c1ccccc1O)N2 ZINC000065297941 205227740 /nfs/dbraw/zinc/22/77/40/205227740.db2.gz LGRHAADIXKQHOK-JOCHJYFZSA-N 0 0 391.515 3.871 50 10 biogenic GHCARN COc1ccc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1 ZINC000003891052 206213946 /nfs/dbraw/zinc/21/39/46/206213946.db2.gz XACWIEPNLOEYHR-ALGNWURXSA-N 0 0 376.441 3.557 50 10 GHCARN CCCCC(OC)(OC)c1nn(C)c2c1ccc1c2C(=O)c2ccccc2C1=O ZINC000006273200 206219388 /nfs/dbraw/zinc/21/93/88/206219388.db2.gz APRIKWIKEWIBTP-UHFFFAOYSA-N 0 0 392.455 3.985 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3ccccc3-c3ncc[nH]3)CC2(C)C)cc1 ZINC000077485199 136172293 /nfs/dbraw/zinc/17/22/93/136172293.db2.gz HPTWDXCYQQZUKU-UHFFFAOYSA-N 0 0 390.487 3.826 50 10 GHCARN CCn1ccc2cc(CCC(=O)NCc3ccc(N4CCOCC4)cc3)ccc21 ZINC000096400036 136187080 /nfs/dbraw/zinc/18/70/80/136187080.db2.gz KSCPLEBPIQYOTH-UHFFFAOYSA-N 0 0 391.515 3.747 50 10 GHCARN Cc1cccc(NC2=NC(=O)C(=Cc3ccc(N4CCOCC4)cc3)S2)c1 ZINC000097990561 136188821 /nfs/dbraw/zinc/18/88/21/136188821.db2.gz VIAZELKFVMOWFW-RGEXLXHISA-N 0 0 379.485 3.914 50 10 GHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2ccccc2cc1O ZINC000010906823 136199440 /nfs/dbraw/zinc/19/94/40/136199440.db2.gz VVDILFGHNYVEGE-UHFFFAOYSA-N 0 0 376.456 3.654 50 10 GHCARN CCOc1ccc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1 ZINC000016684081 136202148 /nfs/dbraw/zinc/20/21/48/136202148.db2.gz VUVKXXMLSTZXGD-SILNSSARSA-N 0 0 393.512 3.878 50 10 GHCARN Cc1c(C(=O)NCCCN2CCOCC2)cc(C(C)(C)C)n1-c1ccccc1 ZINC000019880111 570227171 /nfs/dbraw/zinc/22/71/71/570227171.db2.gz UWGWWHOEBLUMIX-UHFFFAOYSA-N 0 0 383.536 3.535 50 10 GHCARN COc1ccc(CN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 ZINC000001167736 570252780 /nfs/dbraw/zinc/25/27/80/570252780.db2.gz REYLIOYJINMYGY-MFOYZWKCSA-N 0 0 385.466 3.825 50 10 GHCARN CCn1c(-c2ccccc2)cnc1SCC(=O)NC(=O)Cc1ccccc1 ZINC000022229697 570308388 /nfs/dbraw/zinc/30/83/88/570308388.db2.gz LFSZSUNVDJOCMM-UHFFFAOYSA-N 0 0 379.485 3.548 50 10 GHCARN CCCC(=O)N[C@H](c1ccc(OC)c(OC)c1)c1ccc2cccnc2c1O ZINC000002873372 570314130 /nfs/dbraw/zinc/31/41/30/570314130.db2.gz YAYIASZMXDWVNI-HXUWFJFHSA-N 0 0 380.444 3.963 50 10 biogenic GHCARN CC(NCCc1ccc(O)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C ZINC000100423046 570359981 /nfs/dbraw/zinc/35/99/81/570359981.db2.gz BOJTVQOQSFIEOH-UYRXBGFRSA-N 0 0 392.484 3.831 50 10 GHCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(NC(=O)c2ccncc2)C1=O ZINC000027229175 570432527 /nfs/dbraw/zinc/43/25/27/570432527.db2.gz QLZMBBWAMXJYKC-PKRRCJCNSA-N 0 0 381.482 3.574 50 10 GHCARN CC(=O)Nc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 ZINC000027530346 570435154 /nfs/dbraw/zinc/43/51/54/570435154.db2.gz BOJLNYGJIGQGFT-RQZCQDPDSA-N 0 0 398.465 3.780 50 10 GHCARN Cc1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000013055787 570744185 /nfs/dbraw/zinc/74/41/85/570744185.db2.gz HIHHDCBSRIJYOC-UHFFFAOYSA-N 0 0 393.487 3.758 50 10 GHCARN CN(C)c1ccc(CNC(=O)Cn2c3ccccc3nc2-c2cscn2)cc1 ZINC000012551172 570854232 /nfs/dbraw/zinc/85/42/32/570854232.db2.gz UWKYHGVEHDNQFB-UHFFFAOYSA-N 0 0 391.500 3.542 50 10 GHCARN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1(C2CC2)CCOCC1 ZINC000170596131 570854323 /nfs/dbraw/zinc/85/43/23/570854323.db2.gz IAAUFZLTZHPNFA-UHFFFAOYSA-N 0 0 394.462 3.580 50 10 GHCARN O=C1Nc2ccc(Br)cc2/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000013780175 570901404 /nfs/dbraw/zinc/90/14/04/570901404.db2.gz VBZGAESQTIHMPD-BOPFTXTBSA-N 0 0 385.261 3.778 50 10 GHCARN COc1ccc(-n2c(C)cc(C(=O)N(C)[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)c2C)cc1 ZINC000170636961 570936665 /nfs/dbraw/zinc/93/66/65/570936665.db2.gz ISUYDTONBIAMGW-TYPHKJRUSA-N 0 0 382.504 3.988 50 10 GHCARN CCN(CC)C(=O)CCN1C(=O)S/C(=C/c2ccc(OC)cc2)C1=S ZINC000005010031 570945578 /nfs/dbraw/zinc/94/55/78/570945578.db2.gz FXRJMYGAOPOPFK-NTCAYCPXSA-N 0 0 378.519 3.791 50 10 GHCARN CCCC[C@]1(C)NC(=O)N(CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1=O ZINC000003263964 862292306 /nfs/dbraw/zinc/29/23/06/862292306.db2.gz DEBCVGZOAATFKW-QFIPXVFZSA-N 0 0 381.476 3.778 50 10 GHCARN CC1=CC2=NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C(=N)N2O1 ZINC000020236128 860522605 /nfs/dbraw/zinc/52/26/05/860522605.db2.gz HUTMLOWPHRDYBD-IKTSRZDXSA-N 0 0 377.375 3.855 50 10 GHCARN O=C1/C(=C\c2ccc(O)c(Br)c2)SC(=S)N1c1cccnc1 ZINC000096401238 860922271 /nfs/dbraw/zinc/92/22/71/860922271.db2.gz HCMAXKKPEPGYGL-NTUHNPAUSA-N 0 0 393.287 3.956 50 10 GHCARN CC(C)n1c2cnccc2nc(NCc2ccc(N3CCCCC3)cc2)c1=O ZINC000097161231 861139011 /nfs/dbraw/zinc/13/90/11/861139011.db2.gz HDLMTDFMSMWNMT-UHFFFAOYSA-N 0 0 377.492 3.975 50 10 GHCARN COc1ccc2c3c(n(-c4ccc(O)cc4)c(=O)c2c1OC)-c1ccccc1C3=O ZINC000824764627 864136694 /nfs/dbraw/zinc/13/66/94/864136694.db2.gz SYXVMDMNDVPXPL-UHFFFAOYSA-N 0 0 399.402 3.925 50 10 GHCARN COCCn1c(C)cc(/C=C2\NC(=S)N(c3cccc(C)c3C)C2=O)c1C ZINC000153368896 884837259 /nfs/dbraw/zinc/83/72/59/884837259.db2.gz NXBRSHMMRCOXGL-PDGQHHTCSA-N 0 0 383.517 3.630 50 10 GHCARN O=C1N=C(NC2CCCC2)SC1=Cc1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000005899792 903554565 /nfs/dbraw/zinc/55/45/65/903554565.db2.gz VLOUPNAOZCPADG-ATVHPVEESA-N 0 0 386.477 3.698 50 10 GHCARN COC(=O)CCCCCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S ZINC000001768386 203918894 /nfs/dbraw/zinc/91/88/94/203918894.db2.gz XDQGFMPNUJYNOR-DTQAZKPQSA-N 0 0 392.546 3.687 50 10 GHCARN CCN(CC)c1ccc(/C=c2/sc3nc(-c4cccc(C)c4)nn3c2=O)cc1 ZINC000002437433 203943768 /nfs/dbraw/zinc/94/37/68/203943768.db2.gz AXISJOJGEOZMJE-XMHGGMMESA-N 0 0 390.512 3.520 50 10 GHCARN CCOc1ccc(/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1OCC ZINC000004145273 204028421 /nfs/dbraw/zinc/02/84/21/204028421.db2.gz QBFFZLBCKAKVKX-FYFVVDILSA-N 0 0 390.505 3.564 50 10 GHCARN COc1cccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1O ZINC000004838678 204081182 /nfs/dbraw/zinc/08/11/82/204081182.db2.gz VQDORRNVPJIXGX-ZROIWOOFSA-N 0 0 388.426 3.715 50 10 GHCARN COc1ccc(NCN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000004645836 204059125 /nfs/dbraw/zinc/05/91/25/204059125.db2.gz IAAVVWLNSIHMIH-LDADJPATSA-N 0 0 383.473 3.867 50 10 GHCARN CCN(CC)c1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(OC)c1 ZINC000004675938 204062061 /nfs/dbraw/zinc/06/20/61/204062061.db2.gz UWKAYLGXJJYHQG-CPNJWEJPSA-N 0 0 379.460 3.634 50 10 GHCARN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000005853442 204154707 /nfs/dbraw/zinc/15/47/07/204154707.db2.gz XBTBUVCGUVXUMN-ZROIWOOFSA-N 0 0 397.814 3.946 50 10 GHCARN Cc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(N(C)C)cc1 ZINC000005377899 204129556 /nfs/dbraw/zinc/12/95/56/204129556.db2.gz VYRPHBCGFZLEBY-FQEVSTJZSA-N 0 0 388.475 3.580 50 10 GHCARN CCCCNC(=O)CCN1C(=O)/C(=C/c2ccc(OCC)cc2)SC1=S ZINC000005596631 204141592 /nfs/dbraw/zinc/14/15/92/204141592.db2.gz TYDGPITYCXUZFR-SSZFMOIBSA-N 0 0 392.546 3.593 50 10 GHCARN CN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Sc2ccccn2)SC1=S ZINC000006273977 204173340 /nfs/dbraw/zinc/17/33/40/204173340.db2.gz KDAPLUHXECUNIF-UKTHLTGXSA-N 0 0 389.483 3.972 50 10 GHCARN COc1ccc(N2CCN(C(=O)Nc3ccccc3Br)CC2)cc1 ZINC000006389032 204176956 /nfs/dbraw/zinc/17/69/56/204176956.db2.gz OLDSRNWDIZGPQT-UHFFFAOYSA-N 0 0 390.281 3.812 50 10 GHCARN Cc1cccc(C(=O)N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)c1 ZINC000006998703 204228625 /nfs/dbraw/zinc/22/86/25/204228625.db2.gz GCVHXKQAMPPNAJ-XNTDXEJSSA-N 0 0 384.438 3.945 50 10 GHCARN Cc1cc(/C=C/C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)n1C1CC1 ZINC000008191829 204265579 /nfs/dbraw/zinc/26/55/79/204265579.db2.gz WNPJZSJGRYBKGL-IZZDOVSWSA-N 0 0 393.531 3.948 50 10 GHCARN CCCCNC=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccc(OC)cc1 ZINC000009434903 204311791 /nfs/dbraw/zinc/31/17/91/204311791.db2.gz SKJARAVYUWSATN-RGEXLXHISA-N 0 0 394.431 3.628 50 10 GHCARN CC(=O)N1N=C(c2ccccc2Br)O[C@@H]1c1ccc(N(C)C)cc1 ZINC000009529682 204314822 /nfs/dbraw/zinc/31/48/22/204314822.db2.gz HUONKWPNRNSJSG-GOSISDBHSA-N 0 0 388.265 3.754 50 10 GHCARN CC(=O)N1N=C(c2ccccc2Br)O[C@H]1c1ccc(N(C)C)cc1 ZINC000009529681 204315836 /nfs/dbraw/zinc/31/58/36/204315836.db2.gz HUONKWPNRNSJSG-SFHVURJKSA-N 0 0 388.265 3.754 50 10 GHCARN CCN(CC)c1ccc(/C=c2\sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1 ZINC000016264782 204592870 /nfs/dbraw/zinc/59/28/70/204592870.db2.gz LCKZPNXSJSJYHO-RGEXLXHISA-N 0 0 390.512 3.520 50 10 GHCARN CC(=O)NCc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000027157279 204852889 /nfs/dbraw/zinc/85/28/89/204852889.db2.gz HXFPCJFTXXBOCU-UHFFFAOYSA-N 0 0 379.504 3.585 50 10 GHCARN O=C(NCc1ccccc1O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000058246915 205170644 /nfs/dbraw/zinc/17/06/44/205170644.db2.gz FYCFSNMEPVAMRH-UHFFFAOYSA-N 0 0 394.431 3.771 50 10 GHCARN Oc1ccccc1[C@@H]1c2[nH]cnc2CCN1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067934810 205268715 /nfs/dbraw/zinc/26/87/15/205268715.db2.gz QMELLOGBBQXORY-JOCHJYFZSA-N 0 0 389.434 3.792 50 10 GHCARN CCn1ccc([C@H]2CC(c3ccccc3O)=NN2c2ccc([N+](=O)[O-])cc2)n1 ZINC000071785145 205297121 /nfs/dbraw/zinc/29/71/21/205297121.db2.gz YXCSVAJGCHDPAR-LJQANCHMSA-N 0 0 377.404 3.873 50 10 GHCARN Cc1cc(N(Cc2ccccc2O)C[C@@H]2CCCO2)nc(-c2ccccn2)n1 ZINC000095446144 205458576 /nfs/dbraw/zinc/45/85/76/205458576.db2.gz IZRIGEKDPCQQOV-SFHVURJKSA-N 0 0 376.460 3.738 50 10 GHCARN COc1ccccc1NCN1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O ZINC000059377343 206101760 /nfs/dbraw/zinc/10/17/60/206101760.db2.gz FTCJLPCCZLCDRL-LDADJPATSA-N 0 0 383.473 3.867 50 10 GHCARN C[C@@H]1CN(c2ccc(CNC(=O)c3cn(C)c4ccccc34)cc2F)C[C@H](C)O1 ZINC000065475756 136164124 /nfs/dbraw/zinc/16/41/24/136164124.db2.gz GTRURBXULHNHMT-IYBDPMFKSA-N 0 0 395.478 3.861 50 10 GHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCSc1ccc(F)cc1 ZINC000068536105 136165078 /nfs/dbraw/zinc/16/50/78/136165078.db2.gz BGGDBVLIHCYXMA-UHFFFAOYSA-N 0 0 388.508 3.803 50 10 GHCARN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000012562612 136200424 /nfs/dbraw/zinc/20/04/24/136200424.db2.gz IRXWVRVRJLCMJB-XSFVSMFZSA-N 0 0 381.863 3.983 50 10 GHCARN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1cccnc1 ZINC000000661897 570215111 /nfs/dbraw/zinc/21/51/11/570215111.db2.gz ZWRUCUGVVRYPIM-RGVLZGJSSA-N 0 0 390.418 3.721 50 10 GHCARN Cc1ccc(N2CCN(CN3C(=O)/C(=C\c4ccco4)SC3=S)CC2)cc1 ZINC000019905183 570228676 /nfs/dbraw/zinc/22/86/76/570228676.db2.gz OBLCNVWLSYMORZ-QGOAFFKASA-N 0 0 399.541 3.569 50 10 GHCARN CC(=O)N1c2ccccc2/C(=C2/SC(=S)N(c3ccc(C)cc3)C2=O)C1=O ZINC000001011268 570235038 /nfs/dbraw/zinc/23/50/38/570235038.db2.gz IIFBFMIVSIHNQT-MSUUIHNZSA-N 0 0 394.477 3.664 50 10 GHCARN CCOc1ccccc1CCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000048355120 570243494 /nfs/dbraw/zinc/24/34/94/570243494.db2.gz WRHIVEJCXKNAKS-GOSISDBHSA-N 0 0 382.504 3.732 50 10 GHCARN COC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)cc1 ZINC000001155488 570249982 /nfs/dbraw/zinc/24/99/82/570249982.db2.gz PYINTZSTPIQNJL-LFIBNONCSA-N 0 0 385.466 3.888 50 10 GHCARN Cc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3O)C2=O)cc1 ZINC000001186447 570256616 /nfs/dbraw/zinc/25/66/16/570256616.db2.gz DUKKKAKUOKSVGI-MHWRWJLKSA-N 0 0 384.482 3.541 50 10 GHCARN Cc1cccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(N(C)C)cc2)c1C ZINC000001241481 570259698 /nfs/dbraw/zinc/25/96/98/570259698.db2.gz SFCAAAFQLVNFSR-HXUWFJFHSA-N 0 0 378.476 3.636 50 10 GHCARN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000028580647 570461468 /nfs/dbraw/zinc/46/14/68/570461468.db2.gz VWZHQWGVUWGYIW-QFIPXVFZSA-N 0 0 392.455 3.714 50 10 GHCARN CC1=C(C(=O)O[C@@H]2CC[C@H](C)[C@H](C)C2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 ZINC000102060662 570542587 /nfs/dbraw/zinc/54/25/87/570542587.db2.gz PGIBQQKMAPFGKC-LOSGSANQSA-N 0 0 385.508 3.748 50 10 GHCARN CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)c3ccc(C)s3)CC2)c1O ZINC000072312063 570563955 /nfs/dbraw/zinc/56/39/55/570563955.db2.gz INXGEHUOSIKOFP-UHFFFAOYSA-N 0 0 392.908 3.576 50 10 GHCARN COc1ccc(C)cc1-n1c(C)cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c1C ZINC000005489717 570614291 /nfs/dbraw/zinc/61/42/91/570614291.db2.gz QMGRWTJHIWITIZ-AZCZGVSUSA-N 0 0 393.472 3.660 50 10 GHCARN O=C(NN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)c1cccc(O)c1 ZINC000005577945 570665128 /nfs/dbraw/zinc/66/51/28/570665128.db2.gz AWQLVRUBJQMSOX-RIYZIHGNSA-N 0 0 390.873 3.592 50 10 GHCARN C[NH+](C)Cc1c([O-])ccc2c(-c3cc4cc(Cl)ccc4oc3=O)cc(=O)oc21 ZINC000004339978 570678228 /nfs/dbraw/zinc/67/82/28/570678228.db2.gz FFZOZZSZGFOVGS-UHFFFAOYSA-N 0 0 397.814 3.987 50 10 biogenic GHCARN CC(=O)c1ccc(N2CCN(Cc3cc(Br)ccc3O)CC2)cc1 ZINC000055292199 570690685 /nfs/dbraw/zinc/69/06/85/570690685.db2.gz WQUDTDOGHHUGDH-UHFFFAOYSA-N 0 0 389.293 3.680 50 10 GHCARN COc1ccc2c3ccc(OCC(=O)N(C)c4ccccc4)cc3oc(=O)c2c1 ZINC000001131596 570756964 /nfs/dbraw/zinc/75/69/64/570756964.db2.gz PPWGUQNBVRWFCJ-UHFFFAOYSA-N 0 0 389.407 3.997 50 10 GHCARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(OC)c1OC ZINC000013801410 570791113 /nfs/dbraw/zinc/79/11/13/570791113.db2.gz AKTCLVNRCPNYAZ-JXAWBTAJSA-N 0 0 393.439 3.971 50 10 GHCARN COc1cccc(CNc2ncc(Br)cc2Br)c1O ZINC000018136781 570805883 /nfs/dbraw/zinc/80/58/83/570805883.db2.gz KECAOEBSADERDC-UHFFFAOYSA-N 0 0 388.059 3.933 50 10 GHCARN CC[C@@H](C)N1C(=O)C(=Cc2cc3c4c(c2)CCCN4CCC3)C(=O)NC1=S ZINC000001240045 835494228 /nfs/dbraw/zinc/49/42/28/835494228.db2.gz DKASVHITOBKZRI-LVLBFHFTSA-N 0 0 383.517 3.651 50 10 GHCARN CC(C)C(=O)Nc1ccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000030990532 862438493 /nfs/dbraw/zinc/43/84/93/862438493.db2.gz JYFJXDAKZNSEMB-UHFFFAOYSA-N 0 0 382.508 3.689 50 10 GHCARN CC(=O)c1cccc(N2C(=O)C(=C3C(=O)Nc4ccc(F)cc43)SC2=S)c1 ZINC000004291587 862942123 /nfs/dbraw/zinc/94/21/23/862942123.db2.gz MKUVJCBTFJCJKD-NXVVXOECSA-N 0 0 398.440 3.756 50 10 GHCARN Cc1nn(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c(=O)c(C#N)c1C ZINC000254632979 916870459 /nfs/dbraw/zinc/87/04/59/916870459.db2.gz NLAGNPXYEGIECI-UHFFFAOYSA-N 0 0 386.415 3.786 50 10 GHCARN CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccccc2)cc1 ZINC000003641565 204016319 /nfs/dbraw/zinc/01/63/19/204016319.db2.gz URVITOMORJJOEE-NRFANRHFSA-N 0 0 386.455 3.664 50 10 GHCARN C[C@H]1CN(C2=NC(=O)/C(=C/c3ccccc3Br)S2)C[C@H](C)O1 ZINC000004181622 204032179 /nfs/dbraw/zinc/03/21/79/204032179.db2.gz CRIJERHIQFIVNQ-ZCJISOJFSA-N 0 0 381.295 3.529 50 10 GHCARN CN1c2ccccc2/C(=C\c2cn(CC(=O)N3CCCC3)c3ccccc23)C1=O ZINC000004516975 204049633 /nfs/dbraw/zinc/04/96/33/204049633.db2.gz XVJDOOBZDJXAFW-XSFVSMFZSA-N 0 0 385.467 3.781 50 10 GHCARN COc1ccccc1CCNC(=O)c1nc(-c2ccc(-n3cccc3)cc2)no1 ZINC000004623118 204058253 /nfs/dbraw/zinc/05/82/53/204058253.db2.gz APEALTZVIOGQLC-UHFFFAOYSA-N 0 0 388.427 3.508 50 10 GHCARN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000005201181 204118797 /nfs/dbraw/zinc/11/87/97/204118797.db2.gz LTXCGZGDSCCXTK-NTEUORMPSA-N 0 0 387.398 3.909 50 10 GHCARN COc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)cc1OC ZINC000004942493 204095314 /nfs/dbraw/zinc/09/53/14/204095314.db2.gz KUTOVKLALJKPHB-KRWDZBQOSA-N 0 0 392.411 3.994 50 10 GHCARN CC(=C\c1ccccc1)/C=C1\SC(=S)N(NC(=O)c2ccc(O)cc2)C1=O ZINC000005031891 204104661 /nfs/dbraw/zinc/10/46/61/204104661.db2.gz FCMXIGIBNGBWOZ-YMGXUNRSSA-N 0 0 396.493 3.885 50 10 GHCARN COc1ccc(C=C2SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)c(OC)c1 ZINC000005372580 204129946 /nfs/dbraw/zinc/12/99/46/204129946.db2.gz JKQOROKEPQHHSB-ZDLGFXPLSA-N 0 0 397.456 3.745 50 10 GHCARN COc1ccc(OC)c(NC(=O)CSc2ncc(-c3ccccc3)n2C)c1 ZINC000007128727 204233879 /nfs/dbraw/zinc/23/38/79/204233879.db2.gz BSIBQEQNBQOWMY-UHFFFAOYSA-N 0 0 383.473 3.835 50 10 GHCARN O=C1c2ccccc2N[C@H](c2ccc(O)c(O)c2)N1c1ccc2c(c1)OCCO2 ZINC000008745812 204287626 /nfs/dbraw/zinc/28/76/26/204287626.db2.gz VIBWJIAJJNPCLT-NRFANRHFSA-N 0 0 390.395 3.640 50 10 GHCARN O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)NC[C@@H]1CCCO1 ZINC000008748260 204289267 /nfs/dbraw/zinc/28/92/67/204289267.db2.gz GOVCROOZZHJTHG-KRWDZBQOSA-N 0 0 397.500 3.579 50 10 GHCARN COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000009190100 204301733 /nfs/dbraw/zinc/30/17/33/204301733.db2.gz LLTQBKCGPCSFGI-MFOYZWKCSA-N 0 0 385.466 3.825 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)on3)CC2)cc1 ZINC000011915669 204360769 /nfs/dbraw/zinc/36/07/69/204360769.db2.gz DYLCJHCIRBLNSX-UHFFFAOYSA-N 0 0 397.862 3.966 50 10 GHCARN CCN1C(=O)/C(=C\C=C2/Sc3ccc(Cl)cc3N2CCO)SC1=S ZINC000015938461 204586358 /nfs/dbraw/zinc/58/63/58/204586358.db2.gz WAKRILIFYBGFGT-LSMSNJBFSA-N 0 0 398.962 3.850 50 10 GHCARN CCOC(=O)c1c2c(sc1NC(=O)CCC(=O)OC)C[C@H](C(C)(C)C)CC2 ZINC000020158763 204704710 /nfs/dbraw/zinc/70/47/10/204704710.db2.gz YPBSVGNYNKNHGM-GFCCVEGCSA-N 0 0 395.521 3.968 50 10 GHCARN O=C(CSc1nccs1)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000052914208 205135121 /nfs/dbraw/zinc/13/51/21/205135121.db2.gz ZFLNDPOGMCLWFK-UHFFFAOYSA-N 0 0 376.503 3.592 50 10 GHCARN CN(Cc1ccccc1O)C(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000053916314 205137914 /nfs/dbraw/zinc/13/79/14/205137914.db2.gz WDPJGDQSFGUPJL-INIZCTEOSA-N 0 0 381.501 3.877 50 10 GHCARN COc1cc(N(C)C[C@H](O)c2ccccc2Br)cc(OC)c1OC ZINC000154270833 205802687 /nfs/dbraw/zinc/80/26/87/205802687.db2.gz LKOVKYLPRBCWMD-HNNXBMFYSA-N 0 0 396.281 3.645 50 10 GHCARN COc1ccc(Br)c(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000032914725 206097130 /nfs/dbraw/zinc/09/71/30/206097130.db2.gz DCIBUJXYIOBMAH-UHFFFAOYSA-N 0 0 389.293 3.988 50 10 GHCARN CC1(C)OC(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)O1 ZINC000005415332 206216292 /nfs/dbraw/zinc/21/62/92/206216292.db2.gz GRKHDVDWRMRUFT-UHFFFAOYSA-N 0 0 377.736 3.728 50 10 GHCARN COc1cc(Br)cc(CN2CCN(c3ccccc3F)CC2)c1O ZINC000096876690 136187658 /nfs/dbraw/zinc/18/76/58/136187658.db2.gz ZLYFPGKZXITLFK-UHFFFAOYSA-N 0 0 395.272 3.625 50 10 GHCARN CN(C)c1ccc(CNC(=O)CSc2nccnc2Oc2ccccc2)cc1 ZINC000065111118 222100985 /nfs/dbraw/zinc/10/09/85/222100985.db2.gz IUDCSBSRYUIMML-UHFFFAOYSA-N 0 0 394.500 3.743 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3oc4ccc(OC)cc4c3C)CC2)cc1 ZINC000007642922 536691486 /nfs/dbraw/zinc/69/14/86/536691486.db2.gz DUIVFMJBKMTDFB-UHFFFAOYSA-N 0 0 380.444 3.721 50 10 GHCARN COc1ccc(N2CCN(c3nc4c(C)cccc4cc3CO)[C@H](C)C2)cc1 ZINC000108008057 536702170 /nfs/dbraw/zinc/70/21/70/536702170.db2.gz GHWNDNNKKIPXOH-QGZVFWFLSA-N 0 0 377.488 3.759 50 10 GHCARN COc1ccc(N2CCOCC2)c(NC(=O)COc2ccc(C(C)C)cc2)c1 ZINC000012383044 536705705 /nfs/dbraw/zinc/70/57/05/536705705.db2.gz AQQXDKWRVBMUMO-UHFFFAOYSA-N 0 0 384.476 3.673 50 10 GHCARN O=C(NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)c1ccc(F)cc1 ZINC000019911108 570229311 /nfs/dbraw/zinc/22/93/11/570229311.db2.gz UXQXSRCMWUMUIQ-SXGWCWSVSA-N 0 0 397.456 3.853 50 10 GHCARN CC1(C)OC(=O)C(=Cc2cccn2-c2ccc(OC(F)(F)F)cc2)C(=O)O1 ZINC000001046640 570238231 /nfs/dbraw/zinc/23/82/31/570238231.db2.gz OSGLHMJQHBVUAG-UHFFFAOYSA-N 0 0 381.306 3.595 50 10 GHCARN CC(C)CCN(C[C@@H]1CN(Cc2ccccc2O)CCO1)C(=O)c1ccccc1 ZINC000034686577 570295707 /nfs/dbraw/zinc/29/57/07/570295707.db2.gz XOXFQMOBFSZXTP-QFIPXVFZSA-N 0 0 396.531 3.782 50 10 GHCARN CCCN1C(=O)/C(=C\c2cc(Cl)c(OCC)c(Cl)c2)C(=O)N(C)C1=O ZINC000575443023 570313532 /nfs/dbraw/zinc/31/35/32/570313532.db2.gz MQKBCTPSAFAUCX-XFFZJAGNSA-N 0 0 385.247 3.606 50 10 GHCARN O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)N1CCCCCC1 ZINC000027530591 570435177 /nfs/dbraw/zinc/43/51/77/570435177.db2.gz DVPRIVYBOGIOKN-DTQAZKPQSA-N 0 0 392.521 3.820 50 10 GHCARN CCc1ccc2oc(=O)cc(CN3CCN(c4ccc(OC)cc4)CC3)c2c1 ZINC000054105903 570440370 /nfs/dbraw/zinc/44/03/70/570440370.db2.gz ZVQWAGPQGVOYFL-UHFFFAOYSA-N 0 0 378.472 3.686 50 10 GHCARN O=C(NN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S)c1ccccc1 ZINC000034235653 570600408 /nfs/dbraw/zinc/60/04/08/570600408.db2.gz YXFHMCBOGNKSAG-MHWRWJLKSA-N 0 0 379.466 3.714 50 10 GHCARN Cc1sc2ccn(C)c(=O)c2c1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000097939196 570614186 /nfs/dbraw/zinc/61/41/86/570614186.db2.gz KGIFAHMKZAVWTP-UHFFFAOYSA-N 0 0 395.528 3.829 50 10 GHCARN COc1ccc(N(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)C(C)C)cc1F ZINC000058311166 570726308 /nfs/dbraw/zinc/72/63/08/570726308.db2.gz WWNYQSGOOZSAJT-OAHLLOKOSA-N 0 0 399.466 3.813 50 10 GHCARN COc1ccc([C@@]2(c3ccc(O)cc3O)C[C@@H](c3ccco3)NC(=S)N2)cc1 ZINC000001072531 570751618 /nfs/dbraw/zinc/75/16/18/570751618.db2.gz KXWJJGUWUDIHFH-LAUBAEHRSA-N 0 0 396.468 3.552 50 10 GHCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(O)c3)C2=O)cc1 ZINC000013573512 570759501 /nfs/dbraw/zinc/75/95/01/570759501.db2.gz OKXNMPXLDOABQU-BOPFTXTBSA-N 0 0 398.509 3.931 50 10 GHCARN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(C)C3=O)c2C)cc1 ZINC000013799378 570791326 /nfs/dbraw/zinc/79/13/26/570791326.db2.gz NGEXFGDNIDSZHU-BOPFTXTBSA-N 0 0 384.457 3.937 50 10 GHCARN CCOc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1OCC ZINC000016212904 570917705 /nfs/dbraw/zinc/91/77/05/570917705.db2.gz QBFFZLBCKAKVKX-UVMABXGOSA-N 0 0 390.505 3.564 50 10 GHCARN CCN(CC)c1ccc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1 ZINC000001125642 570947212 /nfs/dbraw/zinc/94/72/12/570947212.db2.gz LCKZPNXSJSJYHO-XMHGGMMESA-N 0 0 390.512 3.520 50 10 GHCARN CCCCN1C(=O)C(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)NC1=S ZINC000002813436 846622591 /nfs/dbraw/zinc/62/25/91/846622591.db2.gz HPUWPTLVBACEAI-FOWTUZBSSA-N 0 0 398.444 3.653 50 10 GHCARN Cc1cc(C(=O)Cn2c3ccccc3nc2NCCO)c(C)n1-c1ccccc1 ZINC000003429106 862401409 /nfs/dbraw/zinc/40/14/09/862401409.db2.gz VNRRPINIMFTTOQ-UHFFFAOYSA-N 0 0 388.471 3.731 50 10 GHCARN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1nc(-c2ccc(F)cc2)no1 ZINC000008776013 856359888 /nfs/dbraw/zinc/35/98/88/856359888.db2.gz UXQSGWRYNGMIDY-UHFFFAOYSA-N 0 0 396.466 3.923 50 10 GHCARN CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-n3c(C)ccc3C)cc2)cc1 ZINC000040158372 856689900 /nfs/dbraw/zinc/68/99/00/856689900.db2.gz IGIKJNQVALZHEJ-UHFFFAOYSA-N 0 0 382.485 3.775 50 10 GHCARN CCOc1ccc(N2CCN(CCNC(=O)Nc3cccc(C)c3C)CC2)cc1 ZINC000059758376 857447881 /nfs/dbraw/zinc/44/78/81/857447881.db2.gz MUBKQAWXGWFFFX-UHFFFAOYSA-N 0 0 396.535 3.646 50 10 GHCARN COc1ccc(C2=C/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)O2)c(OC)c1 ZINC000002920965 860420315 /nfs/dbraw/zinc/42/03/15/860420315.db2.gz UGLKAPBCDDNBRO-ZSOIEALJSA-N 0 0 398.411 3.711 50 10 GHCARN O=C(NN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccc(Cl)cc1 ZINC000002258356 860462709 /nfs/dbraw/zinc/46/27/09/860462709.db2.gz OLTXWQJXYQZUDA-XYOKQWHBSA-N 0 0 380.903 3.948 50 10 GHCARN CC[NH+](CC)Cc1c([O-])ccc2cc(-c3nc4ccccc4n3C)c(=O)oc21 ZINC000000941143 206290691 /nfs/dbraw/zinc/29/06/91/206290691.db2.gz BZAPTYGRFBHIIO-UHFFFAOYSA-N 0 0 377.444 3.894 50 10 biogenic GHCARN O=C(NN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccccc1Cl ZINC000001281109 206372295 /nfs/dbraw/zinc/37/22/95/206372295.db2.gz QEXVKIONJYLVAK-WQLSENKSSA-N 0 0 380.903 3.948 50 10 GHCARN CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)O1 ZINC000001446283 206381683 /nfs/dbraw/zinc/38/16/83/206381683.db2.gz SFZSCYVKKDLMLZ-UHFFFAOYSA-N 0 0 377.190 3.929 50 10 GHCARN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCC(C)CC3)C2=O)cc1 ZINC000001181301 206363916 /nfs/dbraw/zinc/36/39/16/206363916.db2.gz BTFJGLBTJPNQBR-GHRIWEEISA-N 0 0 388.558 3.845 50 10 GHCARN CC(=O)N1c2ccccc2/C(=C2/SC(=S)N(c3cccc(C)c3)C2=O)C1=O ZINC000001236257 206371096 /nfs/dbraw/zinc/37/10/96/206371096.db2.gz YTZOXTRMLGUMTC-MSUUIHNZSA-N 0 0 394.477 3.664 50 10 GHCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C2\c3ccccc3N(C)C2=O)SC1=S ZINC000002677793 206427964 /nfs/dbraw/zinc/42/79/64/206427964.db2.gz ONPNDEQACZJUMX-ICDILTBESA-N 0 0 380.494 3.996 50 10 GHCARN CC1=C(C(=O)O[C@H]2CC[C@H](C)[C@@H](C)C2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 ZINC000004043517 206499907 /nfs/dbraw/zinc/49/99/07/206499907.db2.gz PGIBQQKMAPFGKC-GCYDMZABSA-N 0 0 385.508 3.748 50 10 GHCARN CN1C(=O)/C(=C/c2cccn2-c2nnc(-c3ccccc3)s2)SC1=S ZINC000004971205 206578244 /nfs/dbraw/zinc/57/82/44/206578244.db2.gz BBEASTGQEAODTC-RAXLEYEMSA-N 0 0 384.511 3.827 50 10 GHCARN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NCc2cccnc2)cc1 ZINC000009059952 206772645 /nfs/dbraw/zinc/77/26/45/206772645.db2.gz VWVOYOVOEHRAAP-XLNRJJMWSA-N 0 0 398.466 3.905 50 10 GHCARN Cc1cc(CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C)n1-c1ccccc1 ZINC000009156222 206775891 /nfs/dbraw/zinc/77/58/91/206775891.db2.gz ZSNUCCCRZLEQPP-UHFFFAOYSA-N 0 0 378.432 3.756 50 10 GHCARN Cc1cc(Cl)ccc1OCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000012536691 206908135 /nfs/dbraw/zinc/90/81/35/206908135.db2.gz OQWHNIRKSYEAIL-UHFFFAOYSA-N 0 0 388.895 3.522 50 10 GHCARN CCN(CC)c1ccc(CN(C)C(=O)c2nn(-c3ccccc3)nc2C)cc1 ZINC000024187423 207288774 /nfs/dbraw/zinc/28/87/74/207288774.db2.gz FFAXGQIAOAIXCR-UHFFFAOYSA-N 0 0 377.492 3.694 50 10 GHCARN CN(C)c1ccc(CN(C(=O)COc2ccc(F)cc2)c2ccccn2)cc1 ZINC000028288139 207339459 /nfs/dbraw/zinc/33/94/59/207339459.db2.gz IARGYJCXFMFPKY-UHFFFAOYSA-N 0 0 379.435 3.899 50 10 GHCARN Cc1cc(C(=O)NCc2ccc(C(=O)N(C)C)cc2)c(C)n1-c1ccccc1F ZINC000042660176 207625439 /nfs/dbraw/zinc/62/54/39/207625439.db2.gz LITGILYEODDQFD-UHFFFAOYSA-N 0 0 393.462 3.865 50 10 GHCARN COc1ccc(-n2nnnc2C=CNc2ccccc2C(=O)c2ccccc2)cc1 ZINC000101699937 208396509 /nfs/dbraw/zinc/39/65/09/208396509.db2.gz GWOHEBLWGBICRF-NXVVXOECSA-N 0 0 397.438 3.985 50 10 aggregator GHCARN Cc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1ccccc1F ZINC000005516072 208670846 /nfs/dbraw/zinc/67/08/46/208670846.db2.gz FCMZKFOPNDJIHF-OVDNTTTISA-N 0 0 381.436 3.872 50 10 GHCARN O=C1OC2(CCCCC2)OC(=O)C1=CNc1nc(-c2cccs2)cs1 ZINC000023127173 208862196 /nfs/dbraw/zinc/86/21/96/208862196.db2.gz CWZOPSNIZNSNTR-UHFFFAOYSA-N 0 0 376.459 3.928 50 10 GHCARN COc1ccc2cc(C(=O)NCc3ccc4c(c3)CCCN4C)c(C)nc2c1 ZINC000060456964 136155833 /nfs/dbraw/zinc/15/58/33/136155833.db2.gz BRZXLEDFIJIUEH-UHFFFAOYSA-N 0 0 375.472 3.864 50 10 GHCARN CC(=O)N1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC000170604535 136198945 /nfs/dbraw/zinc/19/89/45/136198945.db2.gz JUJNNTKDUMNASK-UHFFFAOYSA-N 0 0 388.855 3.529 50 10 GHCARN C[C@@H]1CN(c2ccc(CNC(=O)CCC(=O)c3ccccc3)cc2F)C[C@@H](C)O1 ZINC000048365414 570245438 /nfs/dbraw/zinc/24/54/38/570245438.db2.gz SKLPOZAARUQOMB-IAGOWNOFSA-N 0 0 398.478 3.719 50 10 GHCARN Cc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3cccc(O)c3)C2=O)cc1 ZINC000001172805 570253360 /nfs/dbraw/zinc/25/33/60/570253360.db2.gz LTQJVARRUKZRGK-CXUHLZMHSA-N 0 0 384.482 3.541 50 10 GHCARN C[C@@H]1CN(C2=NC(=O)/C(=C/c3ccc(Br)cc3)S2)C[C@@H](C)O1 ZINC000000651889 570282329 /nfs/dbraw/zinc/28/23/29/570282329.db2.gz UCXZZOXSGKTSOF-QOWMEECXSA-N 0 0 381.295 3.529 50 10 GHCARN COc1cc(Cl)cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)c1O ZINC000006727375 570554219 /nfs/dbraw/zinc/55/42/19/570554219.db2.gz IXKWSERIIGTBEM-OAHLLOKOSA-N 0 0 379.869 3.533 50 10 GHCARN Cc1cc(C(=O)COC(=O)c2ccc(CO)cc2)c(C)n1-c1ccc(C)cc1 ZINC000006830980 570634152 /nfs/dbraw/zinc/63/41/52/570634152.db2.gz AJCQYCGDVAXGHO-UHFFFAOYSA-N 0 0 377.440 3.935 50 10 GHCARN CCC(CC)C1=NN2C(=NC(=O)/C(=C/c3ccc(OC)c(OC)c3)C2=N)S1 ZINC000005576548 570659402 /nfs/dbraw/zinc/65/94/02/570659402.db2.gz MJKBEOFKHHXVSN-ILUQACKLSA-N 0 0 386.477 3.759 50 10 GHCARN Cc1cc(C(=O)CN2CCN(c3ccccn3)CC2)c(C)n1-c1ccc(C)cc1 ZINC000012631930 570693871 /nfs/dbraw/zinc/69/38/71/570693871.db2.gz IMZQIAZVSCMFKQ-UHFFFAOYSA-N 0 0 388.515 3.802 50 10 GHCARN CN(C)c1ccc(CNS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)cc1 ZINC000006902085 570697328 /nfs/dbraw/zinc/69/73/28/570697328.db2.gz UFUVUQIUKDPGPJ-UHFFFAOYSA-N 0 0 397.544 3.981 50 10 aggregator GHCARN COC(=O)c1cc(NC=C2C(=O)N(c3ccc(F)cc3)N=C2C)ccc1Cl ZINC000101113811 570814193 /nfs/dbraw/zinc/81/41/93/570814193.db2.gz FJPJPZFVAFGLAS-MHWRWJLKSA-N 0 0 387.798 3.984 50 10 GHCARN COc1ccc(C=C2SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)cc1OC ZINC000035042551 570816603 /nfs/dbraw/zinc/81/66/03/570816603.db2.gz JOOLBNYSBJFLRV-WOJGMQOQSA-N 0 0 397.456 3.745 50 10 GHCARN COC(=O)c1ccccc1NC=C1SC(=S)N(CCc2ccccc2)C1=O ZINC000101490048 570825055 /nfs/dbraw/zinc/82/50/55/570825055.db2.gz WQOADNDUWKEVOP-GHRIWEEISA-N 0 0 398.509 3.830 50 10 GHCARN O=C1N[C@@H](c2ccccc2O)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000004525915 570843000 /nfs/dbraw/zinc/84/30/00/570843000.db2.gz NWSSCIMIMOARNE-HXUWFJFHSA-N 0 0 391.496 3.866 50 10 GHCARN COc1cccc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)c1 ZINC000004745457 570960355 /nfs/dbraw/zinc/96/03/55/570960355.db2.gz JVRGSSGZAARZFO-RVDMUPIBSA-N 0 0 388.470 3.518 50 10 GHCARN COc1ccc2[nH]cc(C3=CCN(c4cc(C5CC5)nc5ncnn54)CC3)c2c1 ZINC000079046803 844578562 /nfs/dbraw/zinc/57/85/62/844578562.db2.gz IKRDMCNSRFZEAC-UHFFFAOYSA-N 0 0 386.459 3.785 50 10 GHCARN CN(C)c1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000014899414 842611743 /nfs/dbraw/zinc/61/17/43/842611743.db2.gz SNWJVSNZYAWDME-UHFFFAOYSA-N 0 0 385.467 3.537 50 10 GHCARN Cc1cc(C(=O)Cn2cnc3ccccc3c2=O)c(C)n1-c1ccc(F)cc1 ZINC000003268448 862295071 /nfs/dbraw/zinc/29/50/71/862295071.db2.gz HYXIKVXTAIPSTA-UHFFFAOYSA-N 0 0 375.403 3.826 50 10 GHCARN CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCC(C(=O)OCC)CC1 ZINC000002297624 855122254 /nfs/dbraw/zinc/12/22/54/855122254.db2.gz ZJYPZURQEOCMRH-GHVJWSGMSA-N 0 0 390.415 3.758 50 10 GHCARN O=c1c(-c2ccc3c(c2)OCCO3)coc2c1ccc([O-])c2C[NH+]1CCCCC1 ZINC000019938611 206296270 /nfs/dbraw/zinc/29/62/70/206296270.db2.gz FPOCOMFNUAHZAX-UHFFFAOYSA-N 0 0 393.439 3.923 50 10 biogenic GHCARN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(OC)c1OC ZINC000000897997 206332329 /nfs/dbraw/zinc/33/23/29/206332329.db2.gz ZYZGVDGDKKQERI-ATVHPVEESA-N 0 0 397.402 3.720 50 10 GHCARN CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 ZINC000001029039 206343088 /nfs/dbraw/zinc/34/30/88/206343088.db2.gz GPDFFOCCLHBRME-FOWTUZBSSA-N 0 0 384.482 3.632 50 10 GHCARN NC(=O)C1CCN(C(=S)c2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000001108862 206353070 /nfs/dbraw/zinc/35/30/70/206353070.db2.gz MNPYUVYPXPTXGF-UHFFFAOYSA-N 0 0 393.306 3.582 50 10 GHCARN CCN1C(=O)/C(=C/c2cc(Br)c(OC)cc2OC)SC1=S ZINC000001162542 206361902 /nfs/dbraw/zinc/36/19/02/206361902.db2.gz LCRFINXVPDKHHO-SDQBBNPISA-N 0 0 388.308 3.687 50 10 GHCARN COC(=O)c1ccc(COc2ccc3c(c2)oc(=O)c2cc(OC)ccc32)o1 ZINC000001184844 206365438 /nfs/dbraw/zinc/36/54/38/206365438.db2.gz SRLXYNILVQRYKH-UHFFFAOYSA-N 0 0 380.352 3.913 50 10 GHCARN CCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccccc2C)C1=O ZINC000001209541 206368482 /nfs/dbraw/zinc/36/84/82/206368482.db2.gz MCRRCTJMIVJIKL-SFQUDFHCSA-N 0 0 398.509 3.940 50 10 GHCARN COCCOC(=O)c1c2cc3ccccc3cn2c2c1C(=O)c1ccccc1C2=O ZINC000002053614 206397358 /nfs/dbraw/zinc/39/73/58/206397358.db2.gz FVLRQDDRLUAIEJ-UHFFFAOYSA-N 0 0 399.402 3.671 50 10 biogenic GHCARN Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000003832801 206495249 /nfs/dbraw/zinc/49/52/49/206495249.db2.gz WMFFQMZACQSCLH-UHFFFAOYSA-N 0 0 391.448 3.880 50 10 GHCARN Cc1cc(C(=O)COC(=O)c2cn3ccccc3n2)c(C)n1-c1ccc(F)cc1 ZINC000004404988 206520119 /nfs/dbraw/zinc/52/01/19/206520119.db2.gz YYYAWLJLFAPQGU-UHFFFAOYSA-N 0 0 391.402 3.921 50 10 GHCARN O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000004947217 206576576 /nfs/dbraw/zinc/57/65/76/206576576.db2.gz LPLOAQXAIMFAJR-UHFFFAOYSA-N 0 0 387.347 3.727 50 10 GHCARN COc1ccc(-c2cnc(SCC(=O)NCCc3ccccc3)n2C)cc1 ZINC000007423590 206712536 /nfs/dbraw/zinc/71/25/36/206712536.db2.gz QSAWPYJZEDLXSM-UHFFFAOYSA-N 0 0 381.501 3.547 50 10 biogenic GHCARN Cc1noc(-c2ccc(C)c(S(=O)(=O)NCc3ccc(N(C)C)cc3)c2)c1C ZINC000008600291 206756168 /nfs/dbraw/zinc/75/61/68/206756168.db2.gz DRWXIQLKDOLFKX-UHFFFAOYSA-N 0 0 399.516 3.811 50 10 GHCARN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)N3CCCCC3)C2=O)cc1 ZINC000016661689 207075439 /nfs/dbraw/zinc/07/54/39/207075439.db2.gz QHFDDWAJOMCIDA-SAPNQHFASA-N 0 0 388.558 3.989 50 10 GHCARN Cc1oc2c(ccc([O-])c2C[NH+](C)C)c(=O)c1-c1cnn(-c2ccccc2)c1 ZINC000019883344 207168473 /nfs/dbraw/zinc/16/84/73/207168473.db2.gz MAUMVNBXTYSIIA-UHFFFAOYSA-N 0 0 375.428 3.721 50 10 GHCARN CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)CC2(CCCCC2)C1=O ZINC000022358776 207252677 /nfs/dbraw/zinc/25/26/77/207252677.db2.gz AENBWZPRUAATFF-UHFFFAOYSA-N 0 0 383.536 3.776 50 10 GHCARN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000100163351 208374681 /nfs/dbraw/zinc/37/46/81/208374681.db2.gz FBAYGSFZMKQHFB-MHWRWJLKSA-N 0 0 379.372 3.910 50 10 GHCARN COc1cc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc(Cl)c1O ZINC000101727718 208399852 /nfs/dbraw/zinc/39/98/52/208399852.db2.gz FBBTWYZCNWZBTH-VGOFMYFVSA-N 0 0 387.779 3.769 50 10 GHCARN CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)NC(C)C ZINC000007124549 208685050 /nfs/dbraw/zinc/68/50/50/208685050.db2.gz ICRVVMFTPDLQNA-UHFFFAOYSA-N 0 0 382.327 3.949 50 10 GHCARN CC(=O)Nc1cccc(NC(=O)CSc2ncc(-c3ccccc3)n2C)c1 ZINC000007129218 220987802 /nfs/dbraw/zinc/98/78/02/220987802.db2.gz OPKGJBWORSJWAC-UHFFFAOYSA-N 0 0 380.473 3.776 50 10 GHCARN CC(=O)Nc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1 ZINC000007990508 221022897 /nfs/dbraw/zinc/02/28/97/221022897.db2.gz YKTVOLMTDSRYDA-JOCHJYFZSA-N 0 0 395.503 3.532 50 10 GHCARN COc1cccc(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 ZINC000007988926 221021751 /nfs/dbraw/zinc/02/17/51/221021751.db2.gz GTEZTBPBGLHBCP-QFIPXVFZSA-N 0 0 382.504 3.512 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3nc(Cl)sc3CC(C)C)CC2)cc1 ZINC000096231594 536691243 /nfs/dbraw/zinc/69/12/43/536691243.db2.gz MTNQXWSTPQHYIS-UHFFFAOYSA-N 0 0 393.940 3.966 50 10 GHCARN Cc1cccc(C(=O)N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c1 ZINC000005364241 570275807 /nfs/dbraw/zinc/27/58/07/570275807.db2.gz ZIUIPCBWSMWZAY-CXUHLZMHSA-N 0 0 383.450 3.765 50 10 GHCARN CCC1(CC)NC(=O)N(CC(=O)c2cc(C)n(-c3ccccc3F)c2C)C1=O ZINC000023656643 570329552 /nfs/dbraw/zinc/32/95/52/570329552.db2.gz VCYSYUFMNBHUMD-UHFFFAOYSA-N 0 0 385.439 3.527 50 10 GHCARN CC[C@@H](C)Oc1c(Cl)cc(C=C2C(=O)NC(=S)N(C)C2=O)cc1OC ZINC000033540868 570371698 /nfs/dbraw/zinc/37/16/98/570371698.db2.gz WENUVEOHRFUETA-NJQKBMNKSA-N 0 0 382.869 3.623 50 10 GHCARN CN(C)c1ccc(/C=C2/SC(=O)N(CCC(=O)Nc3ccccc3)C2=O)cc1 ZINC000035549239 570392246 /nfs/dbraw/zinc/39/22/46/570392246.db2.gz FBLKIZUWEPCKKZ-NBVRZTHBSA-N 0 0 395.484 3.818 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3cc(Cl)nc4ccccc43)CC2)cc1 ZINC000006578375 570480891 /nfs/dbraw/zinc/48/08/91/570480891.db2.gz UBRXDGNZYKWBCO-UHFFFAOYSA-N 0 0 381.863 3.859 50 10 GHCARN O=C1c2ccccc2N[C@@H](c2ccc(O)c(O)c2)N1c1ccc2c(c1)OCCO2 ZINC000008745811 570540025 /nfs/dbraw/zinc/54/00/25/570540025.db2.gz VIBWJIAJJNPCLT-OAQYLSRUSA-N 0 0 390.395 3.640 50 10 GHCARN O=C1c2ccccc2-c2onc3c2c1c(N1CCCCC1)cc3N1CCOCC1 ZINC000006737880 570562274 /nfs/dbraw/zinc/56/22/74/570562274.db2.gz YACZUIRDIVCUDA-UHFFFAOYSA-N 0 0 389.455 3.866 50 10 GHCARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(=O)n(-c2ccccc2)[nH]1 ZINC000001171287 570790538 /nfs/dbraw/zinc/79/05/38/570790538.db2.gz HVLZJTHVKXQUHZ-NSHDSACASA-N 0 0 392.242 3.627 50 10 GHCARN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000012556087 570858853 /nfs/dbraw/zinc/85/88/53/570858853.db2.gz XGVFSZYTMIXEQC-UHFFFAOYSA-N 0 0 395.532 3.641 50 10 GHCARN O=C(NN1C(=O)/C(=C\c2ccccn2)SC1=S)c1cccc2ccccc21 ZINC000004746666 570958160 /nfs/dbraw/zinc/95/81/60/570958160.db2.gz MQDMIYTVMABUSF-SFQUDFHCSA-N 0 0 391.477 3.781 50 10 GHCARN CC(=O)N1c2ccccc2/C(=C2\SC(=S)N(c3ccc(C)cc3)C2=O)C1=O ZINC000033293738 570963526 /nfs/dbraw/zinc/96/35/26/570963526.db2.gz IIFBFMIVSIHNQT-WUKNDPDISA-N 0 0 394.477 3.664 50 10 GHCARN COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000002208726 571006002 /nfs/dbraw/zinc/00/60/02/571006002.db2.gz TTXXCIITLXGLEH-QVTJDRNWSA-N 0 0 396.270 3.845 50 10 GHCARN CN(C)c1ccc(CN(C)C(=O)COc2ccc(F)cc2Br)cc1 ZINC000007694129 571017462 /nfs/dbraw/zinc/01/74/62/571017462.db2.gz MJZZZTSXFYOFOO-UHFFFAOYSA-N 0 0 395.272 3.692 50 10 GHCARN COCCN(CC(=O)N1c2ccccc2CC[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000078969924 839937356 /nfs/dbraw/zinc/93/73/56/839937356.db2.gz XPGASGNTIACYOW-KRWDZBQOSA-N 0 0 398.503 3.525 50 10 GHCARN COc1ccc(N2CCN([C@@H](CNC(=O)CC(C)(C)C)c3ccco3)CC2)cc1 ZINC000056946204 861848415 /nfs/dbraw/zinc/84/84/15/861848415.db2.gz SKQRIYBIESAZHQ-FQEVSTJZSA-N 0 0 399.535 3.704 50 10 GHCARN Cc1nnc2n1N[C@H](c1ccc(N(C)C)cc1)[C@H](C(=O)c1ccc(C)cc1)S2 ZINC000003258349 862286965 /nfs/dbraw/zinc/28/69/65/862286965.db2.gz HUMULPMOVXZNNX-UYAOXDASSA-N 0 0 393.516 3.603 50 10 GHCARN COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN2CCCCC2)c1O ZINC000008774949 856359079 /nfs/dbraw/zinc/35/90/79/856359079.db2.gz OCZHFKUHICNPSV-KRWDZBQOSA-N 0 0 399.516 3.626 50 10 GHCARN Cc1cc(C(=O)CN2C(=O)CC3(CCCC3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000009378913 857172243 /nfs/dbraw/zinc/17/22/43/857172243.db2.gz SYONQNFZMMUWMW-UHFFFAOYSA-N 0 0 382.435 3.735 50 10 GHCARN COc1ccc(/C=C2\C(=O)N(CCc3ccccc3)C(=O)N(C(C)C)C2=O)cc1 ZINC000000984537 206338997 /nfs/dbraw/zinc/33/89/97/206338997.db2.gz PDMDCKLRVNYINB-HMMYKYKNSA-N 0 0 392.455 3.521 50 10 GHCARN CCCN1C(=O)/C(=C/C=C2/Sc3ccccc3N2CCO)SC1=S ZINC000001024902 206342365 /nfs/dbraw/zinc/34/23/65/206342365.db2.gz KMUWDJKTOHKZTA-UFSWOOAPSA-N 0 0 378.544 3.587 50 10 GHCARN Cc1cc(C)cc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(N(C)C)cc2)c1 ZINC000001114036 206353759 /nfs/dbraw/zinc/35/37/59/206353759.db2.gz JQVNMIXFWKEYQJ-HXUWFJFHSA-N 0 0 378.476 3.636 50 10 GHCARN CC1=Nc2ncnn2[C@H](c2ccc(N(C)C)cc2)C1C(=O)OC1CCCCC1 ZINC000001291752 206371423 /nfs/dbraw/zinc/37/14/23/206371423.db2.gz XWLBOBYCLLAZDG-LJQANCHMSA-N 0 0 381.480 3.509 50 10 GHCARN CCC(CC)C(=O)c1c[nH]c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000001403949 206379046 /nfs/dbraw/zinc/37/90/46/206379046.db2.gz KZIFGOUOMCAJSW-UHFFFAOYSA-N 0 0 383.492 3.605 50 10 GHCARN O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N1CCCC1 ZINC000001183338 206364058 /nfs/dbraw/zinc/36/40/58/206364058.db2.gz MCYNEFYITFNDKG-NTCAYCPXSA-N 0 0 394.949 3.944 50 10 GHCARN COc1ccc(N2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)cc1 ZINC000004151041 206504496 /nfs/dbraw/zinc/50/44/96/206504496.db2.gz OGGQNYWGOZRBAW-UHFFFAOYSA-N 0 0 388.895 3.855 50 10 GHCARN COC(=O)c1ccccc1N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000004833331 206559848 /nfs/dbraw/zinc/55/98/48/206559848.db2.gz LOVBHJROPUEUIZ-CXUHLZMHSA-N 0 0 399.449 3.608 50 10 GHCARN Cc1cc(C(=O)COC(=O)Cc2cccs2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000005225880 206600406 /nfs/dbraw/zinc/60/04/06/206600406.db2.gz ZDOAJKIIKBWULH-UHFFFAOYSA-N 0 0 397.452 3.853 50 10 GHCARN C[C@@H]1C[C@H](C)CN(c2cc(NCCO)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000006737961 206668550 /nfs/dbraw/zinc/66/85/50/206668550.db2.gz QUUUEZCRVPIMDV-OKILXGFUSA-N 0 0 391.471 3.926 50 10 GHCARN Cc1cc(NC(=O)CCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)no1 ZINC000013810358 207000497 /nfs/dbraw/zinc/00/04/97/207000497.db2.gz KYBLZOHOEMFTHM-UVTDQMKNSA-N 0 0 387.486 3.521 50 10 GHCARN Cc1c(/C=C2\SC(c3ccccc3)=NC2=O)c(=O)n(-c2ccccc2)n1C ZINC000015016666 207041197 /nfs/dbraw/zinc/04/11/97/207041197.db2.gz GSBAVEMGZLBFJZ-AQTBWJFISA-N 0 0 375.453 3.546 50 10 GHCARN CN(C)c1ccc(CNC(=O)[C@H]2Cc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000015774071 207061455 /nfs/dbraw/zinc/06/14/55/207061455.db2.gz WPUZWHIXTDQYHO-HSZRJFAPSA-N 0 0 399.494 3.641 50 10 GHCARN CCc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(O)c3)C2=O)cc1 ZINC000016770034 207078427 /nfs/dbraw/zinc/07/84/27/207078427.db2.gz NXTBONLXMTYIKI-YVLHZVERSA-N 0 0 398.509 3.795 50 10 GHCARN N=C1/C(=C\c2cccc3ccccc23)C(=O)N=C2SC(N3CCCC3)=NN21 ZINC000020356244 207189852 /nfs/dbraw/zinc/18/98/52/207189852.db2.gz DKOMRXVEDBZMEA-PZNVHLGOSA-N 0 0 375.457 3.512 50 10 GHCARN CSc1cccc(-n2c(C)cc(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)c2C)c1 ZINC000022714847 207259045 /nfs/dbraw/zinc/25/90/45/207259045.db2.gz FCVCTKACBZJTIU-UHFFFAOYSA-N 0 0 397.456 3.769 50 10 GHCARN CCC1=NN2C(=NC(=O)/C(=C/c3c(C)nn(-c4ccccc4)c3Cl)C2=N)S1 ZINC000023343478 207275160 /nfs/dbraw/zinc/27/51/60/207275160.db2.gz IWCYENBWEJPXTF-ILUQACKLSA-N 0 0 398.879 3.863 50 10 GHCARN CCOC(=O)CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(OCC)cc1 ZINC000027520839 207325147 /nfs/dbraw/zinc/32/51/47/207325147.db2.gz LWFVGBZKVIALBI-RGEXLXHISA-N 0 0 378.428 3.825 50 10 GHCARN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccc(C)cc1 ZINC000027532426 207326972 /nfs/dbraw/zinc/32/69/72/207326972.db2.gz MLTHHZMVFFNGMG-UHFFFAOYSA-N 0 0 396.468 3.727 50 10 GHCARN CC(C)c1noc(-c2ccc(OCC(=O)NCc3ccc(N(C)C)cc3)cc2)n1 ZINC000032579102 207397335 /nfs/dbraw/zinc/39/73/35/207397335.db2.gz BYKUDJYKYJCMNK-UHFFFAOYSA-N 0 0 394.475 3.621 50 10 GHCARN C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(N2CCOCC2)cc1 ZINC000068462509 136165054 /nfs/dbraw/zinc/16/50/54/136165054.db2.gz XBEJJXFQHDCSHB-KRWDZBQOSA-N 0 0 396.512 3.716 50 10 GHCARN O=C(/C=C/c1ccc(N2CCCCCC2)cc1)N1CCN(c2ccccn2)CC1 ZINC000012632304 136200539 /nfs/dbraw/zinc/20/05/39/136200539.db2.gz PCNWNVXGGMCZBW-JLHYYAGUSA-N 0 0 390.531 3.824 50 10 GHCARN COc1ccc(N2CCN(CC(=O)Nc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000054225189 536694309 /nfs/dbraw/zinc/69/43/09/536694309.db2.gz LMNFTFQSXLBXBI-UHFFFAOYSA-N 0 0 394.302 3.763 50 10 GHCARN O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000001455669 570227095 /nfs/dbraw/zinc/22/70/95/570227095.db2.gz OTYYFMZBTVDVOL-XMHGGMMESA-N 0 0 380.469 3.568 50 10 GHCARN CCCCc1n[nH]c2c1CN(C(=O)[C@@H]1Nc3ccccc3[C@@H]3C=CC[C@@H]31)CC2 ZINC000104626170 570303233 /nfs/dbraw/zinc/30/32/33/570303233.db2.gz DBIZCBPSBRHLTL-GIMINZRKSA-N 0 0 376.504 3.791 50 10 GHCARN O=C(Cn1cc(C=C2SC(=S)NC2=O)c2ccccc21)Nc1ccccc1 ZINC000022147478 570325054 /nfs/dbraw/zinc/32/50/54/570325054.db2.gz XVQOCRVUSCUGAJ-YVLHZVERSA-N 0 0 393.493 3.769 50 10 GHCARN CCSC1=NSC2=NC(=O)/C(=C\c3cccn3-c3cccc(F)c3)C(=N)N12 ZINC000004909308 570362146 /nfs/dbraw/zinc/36/21/46/570362146.db2.gz URPIXVUVHAKUJA-UKMRQWHXSA-N 0 0 399.476 3.946 50 10 GHCARN Cc1ccc(C(C)(C)O[C@@H]2CC(=O)Cc3c(O)c4cccc(O)c4c(O)c32)cc1 ZINC000004568185 570385046 /nfs/dbraw/zinc/38/50/46/570385046.db2.gz HWBQGRFPUCBOTB-DSKINZAPSA-N 0 0 392.451 3.995 50 10 GHCARN CCOC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(OCC)cc1 ZINC000005186187 570497674 /nfs/dbraw/zinc/49/76/74/570497674.db2.gz FYFPJSJOBOJHID-AQTBWJFISA-N 0 0 381.388 3.774 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3cc(C)nc4c(C)cccc34)CC2)cc1 ZINC000032961541 570533132 /nfs/dbraw/zinc/53/31/32/570533132.db2.gz PWDYOWZJSNVTIY-UHFFFAOYSA-N 0 0 375.472 3.823 50 10 GHCARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000008741165 570539015 /nfs/dbraw/zinc/53/90/15/570539015.db2.gz HGQBMEQNQCCPON-HXUWFJFHSA-N 0 0 394.544 3.801 50 10 GHCARN CN(C)c1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000012628391 570692427 /nfs/dbraw/zinc/69/24/27/570692427.db2.gz MLTIWNDZINNMSK-ZDLGFXPLSA-N 0 0 398.509 3.883 50 10 GHCARN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccccc2CS(C)(=O)=O)cc1 ZINC000058762397 570735777 /nfs/dbraw/zinc/73/57/77/570735777.db2.gz CYMIITSUZGKUAL-UHFFFAOYSA-N 0 0 382.485 3.891 50 10 GHCARN COc1ccc(CCNC(=O)CSc2ncc(-c3ccccc3)n2C)cc1 ZINC000007128781 570799787 /nfs/dbraw/zinc/79/97/87/570799787.db2.gz VPHKVLAQMAITBK-UHFFFAOYSA-N 0 0 381.501 3.547 50 10 biogenic GHCARN CCOc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCc1ccccc1 ZINC000005953515 570808217 /nfs/dbraw/zinc/80/82/17/570808217.db2.gz WBIOZJOKFIGAGK-UHFFFAOYSA-N 0 0 382.412 3.884 50 10 GHCARN CCCN1C(=O)/C(=C\c2cc(OC)c(O)cc2Br)SC1=S ZINC000004699334 570843701 /nfs/dbraw/zinc/84/37/01/570843701.db2.gz XSAOQUICHZHTQM-WUXMJOGZSA-N 0 0 388.308 3.775 50 10 GHCARN COc1ccc(-n2c(C)cc(C(=O)N(C)[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)c2C)cc1 ZINC000170636963 570936803 /nfs/dbraw/zinc/93/68/03/570936803.db2.gz ISUYDTONBIAMGW-NRSPTQNISA-N 0 0 382.504 3.988 50 10 GHCARN CN(C)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccccc3Cl)C2)cc1 ZINC000046044270 571013955 /nfs/dbraw/zinc/01/39/55/571013955.db2.gz YBUVOPCFDFOWQQ-KRWDZBQOSA-N 0 0 399.922 3.575 50 10 GHCARN COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nncs3)c2C)cc1 ZINC000003288974 862309462 /nfs/dbraw/zinc/30/94/62/862309462.db2.gz SWMVHVGXLULDBL-UHFFFAOYSA-N 0 0 387.486 3.707 50 10 GHCARN CCN(CC)c1ccc(CN(C)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000008780172 856361829 /nfs/dbraw/zinc/36/18/29/856361829.db2.gz SHFRERNJWNAOFA-UHFFFAOYSA-N 0 0 382.508 3.562 50 10 GHCARN COCCN1C(=O)/C(=C/c2ccc(OCCC(C)C)c(OC)c2)SC1=S ZINC000002268541 860471751 /nfs/dbraw/zinc/47/17/51/860471751.db2.gz APLJANBCBJTASH-ATVHPVEESA-N 0 0 395.546 3.968 50 10 GHCARN COc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)c1O ZINC000007885033 879710337 /nfs/dbraw/zinc/71/03/37/879710337.db2.gz DIFIAROMYGVNSN-NRFANRHFSA-N 0 0 390.395 3.901 50 10 GHCARN CCC(=O)Oc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)N=C2C)cc1OC ZINC000016265350 917474798 /nfs/dbraw/zinc/47/47/98/917474798.db2.gz LCTJBCVJLWIWJF-GZTJUZNOSA-N 0 0 382.391 3.956 50 10 GHCARN CN(C)c1ccc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1 ZINC000004706976 209120856 /nfs/dbraw/zinc/12/08/56/209120856.db2.gz ITQQCAAENBWXJW-GAGNZYIBSA-N 0 0 389.484 3.614 50 10 GHCARN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000000842965 206290120 /nfs/dbraw/zinc/29/01/20/206290120.db2.gz RPMNYSYZCTVEFJ-HKWRFOASSA-N 0 0 377.440 3.611 50 10 biogenic GHCARN CC(=O)N(c1nc(/C=C2\SC(=S)N(C)C2=O)cs1)c1ccccc1F ZINC000096935886 206302070 /nfs/dbraw/zinc/30/20/70/206302070.db2.gz FNGBPYYIARPOEP-QPEQYQDCSA-N 0 0 393.490 3.798 50 10 GHCARN CN(C)c1ccc([C@@H]2SCCN2C(=O)c2cc3ccccc3oc2=O)cc1 ZINC000000863326 206329437 /nfs/dbraw/zinc/32/94/37/206329437.db2.gz KTXUPCOVVXPAAI-FQEVSTJZSA-N 0 0 380.469 3.747 50 10 GHCARN CCOc1ccc(N2C(=O)/C(=C3\c4ccccc4N(C)C3=O)SC2=S)cc1 ZINC000001297995 206371787 /nfs/dbraw/zinc/37/17/87/206371787.db2.gz CAPNWMNNWLWSTB-MSUUIHNZSA-N 0 0 396.493 3.838 50 10 GHCARN O=S(=O)(c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O ZINC000004248189 206509661 /nfs/dbraw/zinc/50/96/61/206509661.db2.gz COXATANIZCLHHA-QGZVFWFLSA-N 0 0 384.482 3.994 50 10 GHCARN CCCOc1ccc(N2CC[C@@H](N(Cc3ccc4c(c3)OCO4)C(C)=O)C2)cc1 ZINC000004561180 206528840 /nfs/dbraw/zinc/52/88/40/206528840.db2.gz LJCGOZDPJAOKCE-HXUWFJFHSA-N 0 0 396.487 3.832 50 10 GHCARN COCCn1c(C)cc(/C=C2/C(=N)N3c4ccccc4SC3=NC2=O)c1C ZINC000013813837 207001171 /nfs/dbraw/zinc/00/11/71/207001171.db2.gz KUFQMKUQNMWVAC-HXBSJJRASA-N 0 0 380.473 3.621 50 10 GHCARN COc1ccc(OCCOc2ccc(C=C3SC(=S)NC3=O)cc2)cc1 ZINC000015800387 207062772 /nfs/dbraw/zinc/06/27/72/207062772.db2.gz IPYVNNMGZXEYMS-ATVHPVEESA-N 0 0 387.482 3.642 50 10 GHCARN CN(C)c1ccc(CNC(=O)c2nccnc2-c2nc3ccccc3s2)cc1 ZINC000015832785 207063528 /nfs/dbraw/zinc/06/35/28/207063528.db2.gz PUMZHPAZINTYOZ-UHFFFAOYSA-N 0 0 389.484 3.749 50 10 GHCARN CCOc1ccc(/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1OCC ZINC000016212898 207073990 /nfs/dbraw/zinc/07/39/90/207073990.db2.gz QBFFZLBCKAKVKX-JXIDHOQNSA-N 0 0 390.505 3.564 50 10 GHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1ccc(Cl)cc1 ZINC000017112603 207084482 /nfs/dbraw/zinc/08/44/82/207084482.db2.gz IMSNCUCJROYWKT-UHFFFAOYSA-N 0 0 387.911 3.561 50 10 GHCARN O=C1NC(=S)S/C1=C1/C=C(c2ccc3c(c2)OCO3)Oc2ccccc21 ZINC000018127817 207094440 /nfs/dbraw/zinc/09/44/40/207094440.db2.gz VNKLZFKSPSDHFR-ATVHPVEESA-N 0 0 381.434 3.708 50 10 GHCARN C[C@@H]1CCCC[C@]12NC(=O)N(CN(C)Cc1ccc(N3CCCCC3)cc1)C2=O ZINC000023653296 207280112 /nfs/dbraw/zinc/28/01/12/207280112.db2.gz UQEQEIIUUFHENS-JPYJTQIMSA-N 0 0 398.551 3.567 50 10 GHCARN CCCOC(=O)c1cccc(-c2ccc(C=C3C(=O)OC(C)(C)OC3=O)o2)c1 ZINC000027548683 207327089 /nfs/dbraw/zinc/32/70/89/207327089.db2.gz KOJOQBFCPNRECS-UHFFFAOYSA-N 0 0 384.384 3.733 50 10 GHCARN Cc1cc(C(=O)Cn2nc(-c3ccco3)oc2=O)c(C)n1-c1ccccc1C ZINC000058366842 207774565 /nfs/dbraw/zinc/77/45/65/207774565.db2.gz OYURVNMGYZKUDN-UHFFFAOYSA-N 0 0 377.400 3.695 50 10 GHCARN CCOC(=O)c1csc(=O)n1CC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000095945753 208241873 /nfs/dbraw/zinc/24/18/73/208241873.db2.gz KHBRYLJZPXXWOQ-UHFFFAOYSA-N 0 0 398.484 3.685 50 10 GHCARN COc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccccc3O)C2)c(OC)c1 ZINC000095945220 208242464 /nfs/dbraw/zinc/24/24/64/208242464.db2.gz UJAYTKGJFMJTJY-SFHVURJKSA-N 0 0 392.411 3.994 50 10 GHCARN Cc1cccc(Cn2cccc(C(=O)N(C)[C@@H](C)c3ccccc3O)c2=O)c1 ZINC000097019211 208332631 /nfs/dbraw/zinc/33/26/31/208332631.db2.gz XEIYWAJOOFPLQA-KRWDZBQOSA-N 0 0 376.456 3.744 50 10 GHCARN COc1ccc(N2N=C(c3ccccc3)C(=C(C)NCc3cccnc3)C2=O)cc1 ZINC000100136031 208372737 /nfs/dbraw/zinc/37/27/37/208372737.db2.gz GWZUVBYGVUSXEP-XLNRJJMWSA-N 0 0 398.466 3.905 50 10 GHCARN CC(C)(C)C(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000006460382 208679416 /nfs/dbraw/zinc/67/94/16/208679416.db2.gz MLLBTKGYBSNEII-UHFFFAOYSA-N 0 0 384.815 3.887 50 10 GHCARN Cc1nnc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)s1 ZINC000007423382 208687767 /nfs/dbraw/zinc/68/77/67/208687767.db2.gz RQQPMSBBCZCYBY-UHFFFAOYSA-N 0 0 379.898 3.631 50 10 GHCARN CCN(CC)c1ccc(/C=C2\NC(=O)N(Cc3cccc(C)c3)C2=O)c(OC)c1 ZINC000033349817 208995228 /nfs/dbraw/zinc/99/52/28/208995228.db2.gz BKOYGRNNCBUZIR-MOSHPQCFSA-N 0 0 393.487 3.943 50 10 GHCARN C[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc4c(c3)COC4=O)cc2)C1 ZINC000096140838 136184258 /nfs/dbraw/zinc/18/42/58/136184258.db2.gz YJNHPWNBWRNMBI-HNNXBMFYSA-N 0 0 379.460 3.915 50 10 GHCARN O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1c(Cl)cccc1Cl ZINC000002283507 136193421 /nfs/dbraw/zinc/19/34/21/136193421.db2.gz FITOOGLFTJMLHO-XYOKQWHBSA-N 0 0 395.242 3.964 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3nc(Cl)sc3C(C)C)CC2)cc1 ZINC000095473117 536690963 /nfs/dbraw/zinc/69/09/63/536690963.db2.gz CKWPDTBKYDZVKA-UHFFFAOYSA-N 0 0 379.913 3.891 50 10 GHCARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1cc(OC)ccc1OC ZINC000100208010 570327321 /nfs/dbraw/zinc/32/73/21/570327321.db2.gz QGUPEVVBZDUSRG-XMHGGMMESA-N 0 0 393.439 3.971 50 10 GHCARN CC(=O)N1c2ccccc2/C(=C2/SC(=S)N(c3ccccc3C)C2=O)C1=O ZINC000003196716 570332366 /nfs/dbraw/zinc/33/23/66/570332366.db2.gz HHLRHQSIGLQIKA-MSUUIHNZSA-N 0 0 394.477 3.664 50 10 GHCARN COc1cc(/C=C2/C(C)=NN(c3ccc(C(=O)OC(C)C)cc3)C2=O)ccc1O ZINC000004844943 570339350 /nfs/dbraw/zinc/33/93/50/570339350.db2.gz WMFYVEQNLVVPDA-WQRHYEAKSA-N 0 0 394.427 3.772 50 10 GHCARN CC1=C(C(=O)O[C@H]2CC[C@@H](C)[C@@H](C)C2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 ZINC000004043515 570355622 /nfs/dbraw/zinc/35/56/22/570355622.db2.gz PGIBQQKMAPFGKC-ZQCAWNDQSA-N 0 0 385.508 3.748 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3ccc(C)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000004125180 570358462 /nfs/dbraw/zinc/35/84/62/570358462.db2.gz MBBRKYLWEUQXCX-UHFFFAOYSA-N 0 0 389.839 3.528 50 10 GHCARN COc1ccc(N2CCN(C(=O)CCC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000004624129 570388269 /nfs/dbraw/zinc/38/82/69/570388269.db2.gz QTSGXMQBFGQMRS-UHFFFAOYSA-N 0 0 375.469 3.613 50 10 GHCARN CC(C)N1C(=O)C(=CNc2ccc(Cl)cc2)C(=O)N(Cc2ccco2)C1=O ZINC000005464265 570440780 /nfs/dbraw/zinc/44/07/80/570440780.db2.gz UDALTBKCEYKFMA-MHWRWJLKSA-N 0 0 387.823 3.628 50 10 GHCARN COc1ccc(-c2cc(=O)oc3c2ccc([O-])c3C[NH2+]Cc2cccnc2)cc1 ZINC000006673205 570529687 /nfs/dbraw/zinc/52/96/87/570529687.db2.gz JOUNQJJZFDJBJV-UHFFFAOYSA-N 0 0 388.423 3.859 50 10 GHCARN Cc1cc(C(=O)CSc2nc[nH]n2)c(C)n1-c1cccc(Br)c1 ZINC000006365856 570546244 /nfs/dbraw/zinc/54/62/44/570546244.db2.gz FNGAVYVTRWOZOE-UHFFFAOYSA-N 0 0 391.294 3.950 50 10 GHCARN COc1cc(Cl)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)c1O ZINC000006727373 570554144 /nfs/dbraw/zinc/55/41/44/570554144.db2.gz IXKWSERIIGTBEM-HNNXBMFYSA-N 0 0 379.869 3.533 50 10 GHCARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1[N+](=O)[O-] ZINC000034106921 570563715 /nfs/dbraw/zinc/56/37/15/570563715.db2.gz IUPDDVFWTOSRKE-ZROIWOOFSA-N 0 0 387.398 3.909 50 10 GHCARN O=C1c2ccccc2C(=O)c2c1cccc2N1CCN(Cc2ccccc2)CC1 ZINC000055433289 570695781 /nfs/dbraw/zinc/69/57/81/570695781.db2.gz CCWDECXWVMFELC-UHFFFAOYSA-N 0 0 382.463 3.784 50 10 GHCARN Cc1cccc(Nc2cc(NCCO)c(N)c3c2C(=O)c2ccccc2C3=O)c1 ZINC000004624146 570701240 /nfs/dbraw/zinc/70/12/40/570701240.db2.gz NJWCQYAUNRELFU-UHFFFAOYSA-N 0 0 387.439 3.500 50 10 GHCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nccs3)C2=O)cc1 ZINC000013575237 570759593 /nfs/dbraw/zinc/75/95/93/570759593.db2.gz FPAJEVFMBQRJEY-RAXLEYEMSA-N 0 0 389.527 3.682 50 10 GHCARN COc1ccc2cc(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)[nH]c2c1 ZINC000013721330 570780361 /nfs/dbraw/zinc/78/03/61/570780361.db2.gz YZSAEOKVXBMSAR-LZYBPNLTSA-N 0 0 398.465 3.531 50 10 GHCARN CCOc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1Br ZINC000004501857 570816867 /nfs/dbraw/zinc/81/68/67/570816867.db2.gz KKEDMIZUGZZCDI-UHFFFAOYSA-N 0 0 381.222 3.602 50 10 GHCARN Cc1oc2c(ccc([O-])c2C[NH+](C)C)c(=O)c1-c1ccc2c(c1)OCCCO2 ZINC000019118513 570821796 /nfs/dbraw/zinc/82/17/96/570821796.db2.gz SCXRWQXEFHYUBB-UHFFFAOYSA-N 0 0 381.428 3.697 50 10 biogenic GHCARN COc1ccc2c3ccc(OCC(=O)N4CCC[C@@H](C)C4)c(C)c3oc(=O)c2c1 ZINC000004540360 570851989 /nfs/dbraw/zinc/85/19/89/570851989.db2.gz PPLAJPOKTUCMSU-CQSZACIVSA-N 0 0 395.455 3.901 50 10 GHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000012564207 570869415 /nfs/dbraw/zinc/86/94/15/570869415.db2.gz FPUXIVFXWFOALK-UHFFFAOYSA-N 0 0 378.394 3.814 50 10 GHCARN COc1ccc(C2=C/C(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])C(=O)O2)cc1 ZINC000005720469 570894721 /nfs/dbraw/zinc/89/47/21/570894721.db2.gz JDNHRAPNAJWXBL-ZSOIEALJSA-N 0 0 383.356 3.602 50 10 GHCARN Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000036634377 570943997 /nfs/dbraw/zinc/94/39/97/570943997.db2.gz VHXSJAYORWUFBA-UHFFFAOYSA-N 0 0 387.483 3.692 50 10 GHCARN Cc1cc(C(=O)[C@@H](C)OC(=O)C2=COCCO2)c(C)n1-c1ccc(Cl)cc1 ZINC000003545491 862482922 /nfs/dbraw/zinc/48/29/22/862482922.db2.gz QAOGACSISNJOKR-CQSZACIVSA-N 0 0 389.835 3.750 50 10 GHCARN CN(C)c1ccc(/C=c2/sc3nc(-c4cccc5ccccc54)nn3c2=O)cc1 ZINC000003651121 862545843 /nfs/dbraw/zinc/54/58/43/862545843.db2.gz UZNUUFKFXMVLQJ-XSFVSMFZSA-N 0 0 398.491 3.585 50 10 GHCARN COc1ccc(OC)c([C@@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)c1 ZINC000253427580 855104340 /nfs/dbraw/zinc/10/43/40/855104340.db2.gz NGBLTNHUIGOFNL-SFHVURJKSA-N 0 0 392.411 3.994 50 10 GHCARN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000008171290 856034038 /nfs/dbraw/zinc/03/40/38/856034038.db2.gz UOGIPLPWPMIIJC-OAQYLSRUSA-N 0 0 381.520 3.522 50 10 GHCARN CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c1C ZINC000002454461 859813627 /nfs/dbraw/zinc/81/36/27/859813627.db2.gz YYQPNLRVWMRTRM-VGZNWPKRSA-N 0 0 377.473 3.906 50 10 GHCARN COc1ccc(C(=O)c2coc3ccc([O-])c(C[NH+]4CCCC4)c23)cc1OC ZINC000218085166 895021459 /nfs/dbraw/zinc/02/14/59/895021459.db2.gz AXLOOEFWOIWEAX-UHFFFAOYSA-N 0 0 381.428 3.982 50 10 biogenic GHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1cc2ccccc2o1 ZINC000012565021 927152029 /nfs/dbraw/zinc/15/20/29/927152029.db2.gz SLAHTHBURPFOMA-ZHACJKMWSA-N 0 0 376.456 3.941 50 10 GHCARN Cc1ccccc1C1=NN2C(=NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C2=N)S1 ZINC000004725417 209121192 /nfs/dbraw/zinc/12/11/92/209121192.db2.gz PZSVSCJRFXKGKO-YERBQUFUSA-N 0 0 391.412 3.571 50 10 GHCARN CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccccc3Br)C2=N)S1 ZINC000005093165 209120771 /nfs/dbraw/zinc/12/07/71/209120771.db2.gz GZKUXZHOAVLRNT-OIFSZIAVSA-N 0 0 377.267 3.724 50 10 GHCARN CCOc1ccc(-c2csc(=NNS(=O)(=O)c3ccc(C)cc3)[nH]2)cc1 ZINC000001414975 209115709 /nfs/dbraw/zinc/11/57/09/209115709.db2.gz DBLUAYFIJWZYEH-UHFFFAOYSA-N 0 0 389.502 3.823 50 10 GHCARN Cc1c2ccc([O-])c(C[NH+]3CCN(C)CC3)c2oc(=O)c1-c1ccc(Cl)cc1 ZINC000020605068 206297041 /nfs/dbraw/zinc/29/70/41/206297041.db2.gz NSOCEIMJVDDWHZ-UHFFFAOYSA-N 0 0 398.890 3.875 50 10 GHCARN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000000657304 206312880 /nfs/dbraw/zinc/31/28/80/206312880.db2.gz JNQIBYMAVCCBHB-UYRXBGFRSA-N 0 0 380.419 3.769 50 10 GHCARN CC(=O)Oc1ccccc1N1C(=O)c2ccc(Oc3ccc(N)cc3)cc2C1=O ZINC000000793753 206321196 /nfs/dbraw/zinc/32/11/96/206321196.db2.gz NUTVGRIOVSOKKJ-UHFFFAOYSA-N 0 0 388.379 3.787 50 10 GHCARN COc1ccc(N2CCN(C(=O)COc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000001127578 206356078 /nfs/dbraw/zinc/35/60/78/206356078.db2.gz SGAXIGFORYKXSC-UHFFFAOYSA-N 0 0 382.504 3.720 50 10 GHCARN C[C@@H]1CN(C2=NC(=O)/C(=C/c3cccc(Br)c3)S2)C[C@H](C)O1 ZINC000001184382 206365621 /nfs/dbraw/zinc/36/56/21/206365621.db2.gz LLFMTYDCNKDIDJ-FGLUKDLVSA-N 0 0 381.295 3.529 50 10 GHCARN COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1=Cc1ccc(F)cc1 ZINC000004681331 206540816 /nfs/dbraw/zinc/54/08/16/206540816.db2.gz UYTBHYXWJFQDFD-ODLFYWEKSA-N 0 0 379.387 3.906 50 10 GHCARN COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)n3cccc3)CC2)cc1 ZINC000004910857 206569962 /nfs/dbraw/zinc/56/99/62/206569962.db2.gz QWWHKDVCQMSKGJ-QHCPKHFHSA-N 0 0 389.499 3.629 50 10 GHCARN CN(C1=NC(=O)/C(=C2/C(=O)Nc3ccc(F)cc32)S1)c1ccc(Cl)cc1 ZINC000004998329 206580642 /nfs/dbraw/zinc/58/06/42/206580642.db2.gz XFFZDIAJERPFCH-PFONDFGASA-N 0 0 387.823 3.908 50 10 GHCARN C[C@H]1CCCN(c2cc(NCCO)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000006737954 206668065 /nfs/dbraw/zinc/66/80/65/206668065.db2.gz RYPYOYGTRPNZAU-ZDUSSCGKSA-N 0 0 377.444 3.680 50 10 GHCARN CCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 ZINC000006747940 206669454 /nfs/dbraw/zinc/66/94/54/206669454.db2.gz FZGVMXGBCYZWDS-QFIPXVFZSA-N 0 0 382.504 3.973 50 10 GHCARN Cc1cc(C(=O)CSc2nccn2C)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000012525146 206907695 /nfs/dbraw/zinc/90/76/95/206907695.db2.gz BNPKMFHEICMLAK-UHFFFAOYSA-N 0 0 383.473 3.574 50 10 GHCARN COc1ccc(N(CCC(N)=O)Cc2cc3ccc(OC)cc3nc2Cl)cc1 ZINC000014703199 207025827 /nfs/dbraw/zinc/02/58/27/207025827.db2.gz KFPPTANZGPLEJO-UHFFFAOYSA-N 0 0 399.878 3.787 50 10 GHCARN COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(C(C)C)C1=O ZINC000015013237 207040267 /nfs/dbraw/zinc/04/02/67/207040267.db2.gz QCCOXUGMJVOMNQ-LICLKQGHSA-N 0 0 376.478 3.749 50 10 GHCARN Cc1cc(C(=O)Cn2nc(-c3cccs3)oc2=O)c(C)n1-c1ccccc1F ZINC000015399019 207051085 /nfs/dbraw/zinc/05/10/85/207051085.db2.gz QKSZFXNUHBLOEU-UHFFFAOYSA-N 0 0 397.431 3.994 50 10 GHCARN COc1ccc(CNc2ncc(Br)cc2Br)c(O)c1 ZINC000018123125 207094055 /nfs/dbraw/zinc/09/40/55/207094055.db2.gz XEEUYSZMHZXRTE-UHFFFAOYSA-N 0 0 388.059 3.933 50 10 GHCARN O=C1c2ccccc2C(=O)C1(c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000020177969 207182758 /nfs/dbraw/zinc/18/27/58/207182758.db2.gz DFDJPTPNKYCEPH-UHFFFAOYSA-N 0 0 382.463 3.783 50 10 GHCARN CCOc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc1 ZINC000020210324 207183541 /nfs/dbraw/zinc/18/35/41/207183541.db2.gz GTHZWZOBWIBUTM-SAFWFWQHSA-N 0 0 379.445 3.515 50 10 GHCARN COc1ccc(N2CCN(C(=O)C[C@H](c3cccs3)n3cccc3)CC2)cc1 ZINC000020997187 207222670 /nfs/dbraw/zinc/22/26/70/207222670.db2.gz CBEVRUBGTWWTDL-HXUWFJFHSA-N 0 0 395.528 3.887 50 10 GHCARN CCN(C(C)=O)c1nc(C=C2SC(Nc3cccc(C)c3)=NC2=O)cs1 ZINC000028621291 207345486 /nfs/dbraw/zinc/34/54/86/207345486.db2.gz BTNIAUKHBNQODM-DHDCSXOGSA-N 0 0 386.502 3.907 50 10 GHCARN O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccc(N2CCCC2)cc1 ZINC000031091122 207380178 /nfs/dbraw/zinc/38/01/78/207380178.db2.gz WTKWGJXOJTVUSE-UHFFFAOYSA-N 0 0 378.520 3.886 50 10 GHCARN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000089904570 208111351 /nfs/dbraw/zinc/11/13/51/208111351.db2.gz FNINFASGRZVDQQ-HOTGVXAUSA-N 0 0 397.475 3.522 50 10 GHCARN Oc1ccc(Br)cc1CN1CCN(Cc2cccc(F)c2)CC1 ZINC000095220940 208155507 /nfs/dbraw/zinc/15/55/07/208155507.db2.gz JSCXCNHLTGVPCN-UHFFFAOYSA-N 0 0 379.273 3.612 50 10 GHCARN O=C1C(=CNC2CCCC2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 ZINC000101104573 208388162 /nfs/dbraw/zinc/38/81/62/208388162.db2.gz HPTGBBAUTCMNRI-LUAWRHEFSA-N 0 0 380.395 3.977 50 10 GHCARN Cc1cc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1Br ZINC000007146464 208724354 /nfs/dbraw/zinc/72/43/54/208724354.db2.gz QNIBKDYRNMNUDI-UHFFFAOYSA-N 0 0 397.338 3.644 50 10 GHCARN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(Cl)ccc2O)cc1 ZINC000007988839 221021440 /nfs/dbraw/zinc/02/14/40/221021440.db2.gz UQJRFPWDEGAQMR-SFHVURJKSA-N 0 0 388.895 3.933 50 10 GHCARN CC(C)N1C(=O)/C(=C/c2cc3ccccc3nc2N2CCOCC2)SC1=S ZINC000020310823 535125653 /nfs/dbraw/zinc/12/56/53/535125653.db2.gz YGAJNZDYTPGHOV-ATVHPVEESA-N 0 0 399.541 3.681 50 10 GHCARN CCc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3cccc(O)c3)C2=O)cc1 ZINC000001172693 570253374 /nfs/dbraw/zinc/25/33/74/570253374.db2.gz NXTBONLXMTYIKI-LICLKQGHSA-N 0 0 398.509 3.795 50 10 GHCARN COC(=O)c1ccc(COc2ccccc2C=C2SC(=S)NC2=O)cc1 ZINC000015978385 570304461 /nfs/dbraw/zinc/30/44/61/570304461.db2.gz WQGWKTPUXTYOLE-YBEGLDIGSA-N 0 0 385.466 3.541 50 10 GHCARN COc1ccc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc1 ZINC000003858704 570352576 /nfs/dbraw/zinc/35/25/76/570352576.db2.gz AIFUWLADNPDUNB-XGMUFTHNSA-N 0 0 376.441 3.671 50 10 GHCARN COc1ccc2c3c(n(Cc4ccco4)c(=O)c2c1OC)-c1ccccc1C3=O ZINC000604405952 570358102 /nfs/dbraw/zinc/35/81/02/570358102.db2.gz UTBMOLBBTWGYAV-UHFFFAOYSA-N 0 0 387.391 3.871 50 10 biogenic GHCARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1C ZINC000004147435 570359758 /nfs/dbraw/zinc/35/97/58/570359758.db2.gz HDJWMXMGIIJWFQ-UHFFFAOYSA-N 0 0 391.448 3.880 50 10 GHCARN Cc1csc(NC(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)n1 ZINC000004942301 570377487 /nfs/dbraw/zinc/37/74/87/570377487.db2.gz CATSFUMMLWGVDQ-KPKJPENVSA-N 0 0 375.500 3.535 50 10 GHCARN Cc1cc(C(=O)COC(=O)c2ccccc2NCCO)c(C)n1-c1ccccc1 ZINC000006329764 570392295 /nfs/dbraw/zinc/39/22/95/570392295.db2.gz SNLZJHIWVAREHK-UHFFFAOYSA-N 0 0 392.455 3.538 50 10 GHCARN O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc(OC(F)F)c1 ZINC000054035664 570437562 /nfs/dbraw/zinc/43/75/62/570437562.db2.gz CURVFPZDLLKJNG-UHFFFAOYSA-N 0 0 378.444 3.771 50 10 GHCARN CCCCOc1ccc(C(=O)Nc2cc(OC)ccc2N2CCOCC2)cc1 ZINC000007496746 570506210 /nfs/dbraw/zinc/50/62/10/570506210.db2.gz SDHZMLLHPQNXDL-UHFFFAOYSA-N 0 0 384.476 3.963 50 10 GHCARN COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c1C ZINC000034690181 570542851 /nfs/dbraw/zinc/54/28/51/570542851.db2.gz JHADVHIWNKIZMQ-AHSZANDNSA-N 0 0 393.472 3.742 50 10 GHCARN Cc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1C ZINC000006747956 570566662 /nfs/dbraw/zinc/56/66/62/570566662.db2.gz HQFITYQUKZILGB-QHCPKHFHSA-N 0 0 396.531 3.956 50 10 GHCARN COc1cccc(Nc2cc(N(C)C)c(N)c3c2C(=O)c2ccccc2C3=O)c1 ZINC000005482819 570611050 /nfs/dbraw/zinc/61/10/50/570611050.db2.gz VTWMCIPVUNXRCD-UHFFFAOYSA-N 0 0 387.439 3.862 50 10 GHCARN CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 ZINC000013601327 570762110 /nfs/dbraw/zinc/76/21/10/570762110.db2.gz GPDFFOCCLHBRME-VBKFSLOCSA-N 0 0 384.482 3.632 50 10 GHCARN CC(=O)N1CCN(c2ccc(OCCCOc3ccc(Cl)cc3)cc2)CC1 ZINC000032741533 570787071 /nfs/dbraw/zinc/78/70/71/570787071.db2.gz GHUHZHINNMLBRA-UHFFFAOYSA-N 0 0 388.895 3.856 50 10 GHCARN Cc1cc(C(=O)Cn2nc(-c3cccs3)oc2=O)c(C)n1-c1ccccc1 ZINC000007114123 570790736 /nfs/dbraw/zinc/79/07/36/570790736.db2.gz MYBFMJSCMRRRBU-UHFFFAOYSA-N 0 0 379.441 3.855 50 10 GHCARN COc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C)cc1OC ZINC000007128896 570800170 /nfs/dbraw/zinc/80/01/70/570800170.db2.gz HRQDIBKWIYDFQO-UHFFFAOYSA-N 0 0 383.473 3.835 50 10 GHCARN Cc1cc(C(=O)CN2C(=O)COc3ccccc32)c(C)n1-c1ccc(F)cc1 ZINC000007463058 570847164 /nfs/dbraw/zinc/84/71/64/570847164.db2.gz OIRZRJGYIJSSJK-UHFFFAOYSA-N 0 0 378.403 3.842 50 10 GHCARN COc1ccc(N2CCN(c3nnc(SCc4ccccn4)s3)CC2)cc1 ZINC000023140013 570916928 /nfs/dbraw/zinc/91/69/28/570916928.db2.gz CJQWFIFPKZPLGE-UHFFFAOYSA-N 0 0 399.545 3.561 50 10 GHCARN CCOC(=O)c1cnc2c(N=Nc3cccc(C(F)(F)F)c3)c(N)nn2c1N ZINC000252617758 571019369 /nfs/dbraw/zinc/01/93/69/571019369.db2.gz KZPDHINHJRKRSE-UHFFFAOYSA-N 0 0 393.329 3.505 50 10 GHCARN O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1nccs1 ZINC000002483405 861204363 /nfs/dbraw/zinc/20/43/63/861204363.db2.gz YUSALVLEEUNYJH-UHFFFAOYSA-N 0 0 385.430 3.579 50 10 GHCARN COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=Cc1ccc(Cl)cc1 ZINC000008683203 856318146 /nfs/dbraw/zinc/31/81/46/856318146.db2.gz AVBLELOPJSTZPY-BOPFTXTBSA-N 0 0 384.819 3.698 50 10 GHCARN C[C@@H]1CN(C2=NC(=O)/C(=C/c3ccccc3Br)S2)C[C@@H](C)O1 ZINC000004181623 862846696 /nfs/dbraw/zinc/84/66/96/862846696.db2.gz CRIJERHIQFIVNQ-QOWMEECXSA-N 0 0 381.295 3.529 50 10 GHCARN Cc1cc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c(C)n1-c1ccccc1 ZINC000004287888 862935625 /nfs/dbraw/zinc/93/56/25/862935625.db2.gz AXPXXINPMGDQOK-UHFFFAOYSA-N 0 0 393.487 3.922 50 10 GHCARN O=C(OCc1cc(=O)oc2cc(O)c(O)cc12)c1ccc(Cl)c(Cl)c1 ZINC000007981610 862962201 /nfs/dbraw/zinc/96/22/01/862962201.db2.gz XIUVKKRYISVKNU-UHFFFAOYSA-N 0 0 381.167 3.868 50 10 GHCARN Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1c(C)cccc1C ZINC000002417890 858508459 /nfs/dbraw/zinc/50/84/59/858508459.db2.gz UTNSYQYAPCXLQF-NRKWFKHNSA-N 0 0 377.473 3.960 50 10 GHCARN CC[C@@H](C)N1C(=O)C(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)NC1=S ZINC000001146068 918463729 /nfs/dbraw/zinc/46/37/29/918463729.db2.gz OYYBVVMXENNZOZ-PILJQMSFSA-N 0 0 398.444 3.651 50 10 GHCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccccc3Br)C2=N)S1 ZINC000005093740 209121709 /nfs/dbraw/zinc/12/17/09/209121709.db2.gz XNOGIYHHUCVQGR-UNSMFMGZSA-N 0 0 377.267 3.868 50 10 GHCARN CCCOC(=O)c1ccc(Oc2coc3c(ccc([O-])c3C[NH+](C)C)c2=O)cc1 ZINC000020394873 206296066 /nfs/dbraw/zinc/29/60/66/206296066.db2.gz XZCFSVULVVMKIJ-UHFFFAOYSA-N 0 0 397.427 3.919 50 10 biogenic GHCARN COc1ccc(N2CCN(C(=O)c3ccc(OC4CCCC4)cc3)CC2)cc1 ZINC000000648317 206311647 /nfs/dbraw/zinc/31/16/47/206311647.db2.gz AHJAWRUNLRKBCU-UHFFFAOYSA-N 0 0 380.488 3.979 50 10 GHCARN CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccccc3Cl)S2)CC1 ZINC000001123882 206355818 /nfs/dbraw/zinc/35/58/18/206355818.db2.gz LSBYUIYUYAJQIA-PTNGSMBKSA-N 0 0 378.881 3.585 50 10 GHCARN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccco1 ZINC000001161688 206362439 /nfs/dbraw/zinc/36/24/39/206362439.db2.gz RMEUFXWZKSCOJP-GDNBJRDFSA-N 0 0 388.217 3.919 50 10 GHCARN COC(=O)c1cc(-c2ccc(C=C3SC(=S)NC3=O)o2)ccc1Cl ZINC000001203726 206366958 /nfs/dbraw/zinc/36/69/58/206366958.db2.gz GOETUEVFBJHTIO-NTUHNPAUSA-N 0 0 379.846 3.875 50 10 GHCARN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1nccs1 ZINC000001746234 206390727 /nfs/dbraw/zinc/39/07/27/206390727.db2.gz GJMPMDPGHXRWLZ-PKNBQFBNSA-N 0 0 395.556 3.825 50 10 GHCARN Cc1csc(NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)n1 ZINC000001902658 206394223 /nfs/dbraw/zinc/39/42/23/206394223.db2.gz AVLPTEYVEXKWCH-XFFZJAGNSA-N 0 0 395.556 3.743 50 10 aggregator GHCARN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000004699102 206543898 /nfs/dbraw/zinc/54/38/98/206543898.db2.gz TWVQEFDGHAKXHB-BOPFTXTBSA-N 0 0 397.402 3.720 50 10 GHCARN CSC1=N/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1 ZINC000004789697 206555173 /nfs/dbraw/zinc/55/51/73/206555173.db2.gz GQQJVTKROIIBDN-XDJHFCHBSA-N 0 0 379.485 3.630 50 10 GHCARN CN1C(=O)C(=Cc2ccccc2Oc2ccc(Cl)c(F)c2)C(=O)N(C)C1=O ZINC000005659769 206624388 /nfs/dbraw/zinc/62/43/88/206624388.db2.gz JNYSLUXBRAJIRS-UHFFFAOYSA-N 0 0 388.782 3.705 50 10 GHCARN CC(=O)NCCC(=O)Nc1nc(-c2cc(C)n(-c3ccccc3)c2C)cs1 ZINC000006651914 206660728 /nfs/dbraw/zinc/66/07/28/206660728.db2.gz OEHSEISVKTYEGN-UHFFFAOYSA-N 0 0 382.489 3.682 50 10 GHCARN Cc1cccc(C)c1OCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000011915021 206840992 /nfs/dbraw/zinc/84/09/92/206840992.db2.gz CNTCHBFMVOZOSB-JOCHJYFZSA-N 0 0 396.531 3.956 50 10 GHCARN Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)sc2n1 ZINC000014422003 207020548 /nfs/dbraw/zinc/02/05/48/207020548.db2.gz KDVKQCRAACCTRS-ZLKJLUDKSA-N 0 0 389.521 3.593 50 10 GHCARN COc1ccc(C[C@H](C)NC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000015108334 207048021 /nfs/dbraw/zinc/04/80/21/207048021.db2.gz PPQPYEVGANUNLA-HNNXBMFYSA-N 0 0 399.446 3.832 50 10 GHCARN COc1ccc(C=C2SC(=S)NC2=O)cc1COc1ccc(F)cc1 ZINC000015930782 207068112 /nfs/dbraw/zinc/06/81/12/207068112.db2.gz TZOPNSOSZCNGPA-SXGWCWSVSA-N 0 0 375.446 3.902 50 10 GHCARN COc1cc([C@@H]2CC(=O)Nc3c(-c4ccccc4)nsc32)c(OC)c(O)c1O ZINC000035324563 207486015 /nfs/dbraw/zinc/48/60/15/207486015.db2.gz SDEBBUFMKHWZRE-LBPRGKRZSA-N 0 0 398.440 3.713 50 10 GHCARN O=C1/C(=C\c2ccc3ccccc3c2)SC(=S)N1CCCN1CCOCC1 ZINC000096930802 208329738 /nfs/dbraw/zinc/32/97/38/208329738.db2.gz HNSYUEQDXWPHBL-XDJHFCHBSA-N 0 0 398.553 3.763 50 10 GHCARN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCc1ccc(OC)cc1 ZINC000100163402 208374675 /nfs/dbraw/zinc/37/46/75/208374675.db2.gz NPFZWHLUULRBCD-XMHGGMMESA-N 0 0 394.431 3.780 50 10 GHCARN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N1CCCC1 ZINC000002301586 208502795 /nfs/dbraw/zinc/50/27/95/208502795.db2.gz NWTCZMZAZWCORC-SDNWHVSQSA-N 0 0 380.922 3.554 50 10 GHCARN COc1ccc(C=C2SC(NC3CCCCC3)=NC2=O)c(OC)c1OC ZINC000096121213 209012776 /nfs/dbraw/zinc/01/27/76/209012776.db2.gz PBBXCHQVPJADRX-RVDMUPIBSA-N 0 0 376.478 3.605 50 10 GHCARN COC(=O)C1=CN(c2cccc(C(F)(F)F)c2)c2ccccc2S1(=O)=O ZINC000064979170 136158459 /nfs/dbraw/zinc/15/84/59/136158459.db2.gz KWEKEHDFLGJQNV-UHFFFAOYSA-N 0 0 383.347 3.645 50 10 GHCARN C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(N4CCOCC4)cc3)cc2)C1 ZINC000072437701 136170531 /nfs/dbraw/zinc/17/05/31/136170531.db2.gz NVNJGPBEOOAJBE-IBGZPJMESA-N 0 0 393.531 3.690 50 10 GHCARN CN(C)c1ccc(CNC(=O)c2ccc3ncnc(N4CCCCC4)c3c2)cc1 ZINC000096399982 136186999 /nfs/dbraw/zinc/18/69/99/136186999.db2.gz ODKRPOCDJPLYFT-UHFFFAOYSA-N 0 0 389.503 3.616 50 10 GHCARN Cc1cc(/C=C\C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)n1C1CC1 ZINC000096912699 136187882 /nfs/dbraw/zinc/18/78/82/136187882.db2.gz WNPJZSJGRYBKGL-WDZFZDKYSA-N 0 0 393.531 3.948 50 10 GHCARN COc1ccc(N2CCN(C(=O)CCc3conc3-c3ccccc3)CC2)cc1 ZINC000096386654 536679085 /nfs/dbraw/zinc/67/90/85/536679085.db2.gz NGCKXLBZTJKAEE-UHFFFAOYSA-N 0 0 391.471 3.632 50 10 GHCARN O=C(CCCn1cncn1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000048364050 570245142 /nfs/dbraw/zinc/24/51/42/570245142.db2.gz YFIVXNDJJMONHM-HSZRJFAPSA-N 0 0 386.455 3.823 50 10 GHCARN CCCCc1n[nH]c2c1CN(C(=O)[C@@H]1Nc3ccccc3[C@@H]3C=CC[C@H]31)CC2 ZINC000019742702 570254522 /nfs/dbraw/zinc/25/45/22/570254522.db2.gz DBIZCBPSBRHLTL-LBUQITIBSA-N 0 0 376.504 3.791 50 10 GHCARN Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC000004147456 570359871 /nfs/dbraw/zinc/35/98/71/570359871.db2.gz HGPRFHBCJVCPLI-UHFFFAOYSA-N 0 0 391.448 3.880 50 10 GHCARN COc1ccc2c3c(n(Cc4cccnc4)c(=O)c2c1OC)-c1ccccc1C3=O ZINC000604404980 570361477 /nfs/dbraw/zinc/36/14/77/570361477.db2.gz NCJYDJSJWQVJQR-UHFFFAOYSA-N 0 0 398.418 3.673 50 10 biogenic GHCARN O=C(NN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)c1ccccc1O ZINC000005005492 570394318 /nfs/dbraw/zinc/39/43/18/570394318.db2.gz VYYXMVUCNRDQPE-NTEUORMPSA-N 0 0 390.873 3.592 50 10 GHCARN Cc1cc(C(=O)NCc2ccnc(-n3ccnc3)c2)c(C)n1-c1cccc(F)c1 ZINC000124861521 570444184 /nfs/dbraw/zinc/44/41/84/570444184.db2.gz CFVBQBNSDHKKDL-UHFFFAOYSA-N 0 0 389.434 3.744 50 10 GHCARN CC1=CC2=NC(=O)/C(=C\c3cccn3CCCOc3ccc(C)cc3)C(=N)N2O1 ZINC000032969688 570554809 /nfs/dbraw/zinc/55/48/09/570554809.db2.gz NEDMECLQZQWIDW-VXMHBOQLSA-N 0 0 390.443 3.716 50 10 GHCARN COc1ccc(N2CCN(CC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000054225192 570676816 /nfs/dbraw/zinc/67/68/16/570676816.db2.gz OHLYNTHNRABQBV-UHFFFAOYSA-N 0 0 394.302 3.763 50 10 GHCARN CC(=C\c1ccccc1)/C=C1\SC(=S)N(NC(=O)c2cccnc2)C1=O ZINC000013804081 570697780 /nfs/dbraw/zinc/69/77/80/570697780.db2.gz HKSSAIYIDJUMME-VKDWSQHSSA-N 0 0 381.482 3.574 50 10 GHCARN COc1ccccc1Nc1nnc(SCC(=O)c2ccc(O)c(O)c2)s1 ZINC000006035785 570816167 /nfs/dbraw/zinc/81/61/67/570816167.db2.gz GICKTBLSWSSKJR-UHFFFAOYSA-N 0 0 389.458 3.677 50 10 GHCARN Cc1cc(N2CCCC2)ccc1/C=C1\NC(=O)N(Cc2ccccc2F)C1=O ZINC000004688442 570834353 /nfs/dbraw/zinc/83/43/53/570834353.db2.gz PFWRMVZDGLBIMO-MOSHPQCFSA-N 0 0 379.435 3.827 50 10 GHCARN COCc1c2ccccc2oc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000042047212 570885491 /nfs/dbraw/zinc/88/54/91/570885491.db2.gz GZXYRISCVBBIEI-UHFFFAOYSA-N 0 0 380.444 3.550 50 10 GHCARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000012607897 570889665 /nfs/dbraw/zinc/88/96/65/570889665.db2.gz CIZCOHLSRKPOFH-QGZVFWFLSA-N 0 0 388.533 3.720 50 10 GHCARN COc1ccccc1OCCOc1cccc(C=C2SC(=S)NC2=O)c1 ZINC000004591044 570897396 /nfs/dbraw/zinc/89/73/96/570897396.db2.gz MVUQEEZRRBRBSE-ATVHPVEESA-N 0 0 387.482 3.642 50 10 GHCARN CC(C)(C)C(=O)CSCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000079001607 841709768 /nfs/dbraw/zinc/70/97/68/841709768.db2.gz DECSBHUFKFMHQZ-UHFFFAOYSA-N 0 0 395.480 3.749 50 10 GHCARN COCCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S ZINC000002688748 861511028 /nfs/dbraw/zinc/51/10/28/861511028.db2.gz KBHQKUYHZSGTNT-GDNBJRDFSA-N 0 0 390.442 3.702 50 10 GHCARN COC(=O)C1CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)CC1 ZINC000057788802 862243481 /nfs/dbraw/zinc/24/34/81/862243481.db2.gz PBVZSLCRLUNFEK-UHFFFAOYSA-N 0 0 394.515 3.651 50 10 GHCARN COc1ccc(-c2nnc([C@H](C)N3CCN(c4ccc(OC)cc4)CC3)o2)cc1 ZINC000057845272 862260863 /nfs/dbraw/zinc/26/08/63/862260863.db2.gz OZHNBAACQBFICA-INIZCTEOSA-N 0 0 394.475 3.637 50 10 GHCARN CN(C)c1ccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000040023976 856633373 /nfs/dbraw/zinc/63/33/73/856633373.db2.gz RMJJFJSMOCXFCH-UHFFFAOYSA-N 0 0 379.460 3.963 50 10 GHCARN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cc(C)ccn1 ZINC000009425164 857196492 /nfs/dbraw/zinc/19/64/92/857196492.db2.gz WSABGXMPWFEYMU-UNOMPAQXSA-N 0 0 386.480 3.568 50 10 GHCARN CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc(N)ccc32)cc1 ZINC000004253416 862907889 /nfs/dbraw/zinc/90/78/89/862907889.db2.gz JJTXQNPQIWNFFS-UHFFFAOYSA-N 0 0 387.483 3.863 50 10 GHCARN COc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCCc1ccccc1 ZINC000001124734 206356344 /nfs/dbraw/zinc/35/63/44/206356344.db2.gz GKCLKTMSXMXTFE-UHFFFAOYSA-N 0 0 382.412 3.536 50 10 GHCARN Cc1nn([C@@H](C)c2nc(-c3ccc(-n4cccc4)cc3)no2)c(C)c1[N+](=O)[O-] ZINC000001423481 206380797 /nfs/dbraw/zinc/38/07/97/206380797.db2.gz IFJFWUILXZIWJH-AWEZNQCLSA-N 0 0 378.392 3.858 50 10 GHCARN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 ZINC000001183332 206364484 /nfs/dbraw/zinc/36/44/84/206364484.db2.gz DCJCEUCENKVSTB-WQRHYEAKSA-N 0 0 393.439 3.582 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1 ZINC000015680558 207056174 /nfs/dbraw/zinc/05/61/74/207056174.db2.gz CMCCYUWMRKCLGF-UHFFFAOYSA-N 0 0 396.878 3.701 50 10 GHCARN COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(OC)c1OC ZINC000016267777 207074546 /nfs/dbraw/zinc/07/45/46/207074546.db2.gz XVHOCRZFTRZYMG-ZROIWOOFSA-N 0 0 391.470 3.707 50 10 GHCARN CN1CCCc2cc([C@@H](CNC(=O)CCC3CCCC3)N3CCOCC3)ccc21 ZINC000016838256 207079167 /nfs/dbraw/zinc/07/91/67/207079167.db2.gz QLNKECWEEXVNHZ-HSZRJFAPSA-N 0 0 399.579 3.529 50 10 GHCARN COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c1C ZINC000020037225 207174250 /nfs/dbraw/zinc/17/42/50/207174250.db2.gz ZRMPYVNDVSLLCO-HXBSJJRASA-N 0 0 378.457 3.880 50 10 GHCARN COc1cccc2c(O)c([C@H](c3ccccc3OC)N3CCOCC3)ccc12 ZINC000020625049 207209099 /nfs/dbraw/zinc/20/90/99/207209099.db2.gz DYHRMNRAJQLQAP-QFIPXVFZSA-N 0 0 379.456 3.984 50 10 GHCARN COc1ccc(N(Cc2nn3c(nc(C)cc3=O)s2)Cc2ccccc2)cc1 ZINC000022990386 207267771 /nfs/dbraw/zinc/26/77/71/207267771.db2.gz YHCSAYHDUYWLCO-UHFFFAOYSA-N 0 0 392.484 3.675 50 10 GHCARN COc1ccc2ccc(O)c(CN3CCN(C(=O)c4cccs4)CC3)c2c1 ZINC000027513372 207325714 /nfs/dbraw/zinc/32/57/14/207325714.db2.gz PTMSEEAKWDMUGL-UHFFFAOYSA-N 0 0 382.485 3.574 50 10 GHCARN Cc1cc(C(=O)OCC(=O)Nc2cccc(C)c2C)c(C)n1-c1ccccn1 ZINC000030675738 207374141 /nfs/dbraw/zinc/37/41/41/207374141.db2.gz UVKIRUDFNOYILI-UHFFFAOYSA-N 0 0 377.444 3.901 50 10 GHCARN CN(C)c1ccc(CNC(=O)CC2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000032974409 207425425 /nfs/dbraw/zinc/42/54/25/207425425.db2.gz XNIKTQVCJLKCOV-UHFFFAOYSA-N 0 0 385.552 3.578 50 10 GHCARN COC(=O)C1=CN(c2cc(C)cc(C)c2)c2cc(F)c(F)cc2S1(=O)=O ZINC000035462698 207490986 /nfs/dbraw/zinc/49/09/86/207490986.db2.gz FPMFMKYKIOIILP-UHFFFAOYSA-N 0 0 379.384 3.521 50 10 GHCARN Cc1cc(C(=O)NC[C@H]2COc3ccccc3O2)c(C)n1-c1ccccc1F ZINC000058391562 207776780 /nfs/dbraw/zinc/77/67/80/207776780.db2.gz WWSRDKHYJJROAD-INIZCTEOSA-N 0 0 380.419 3.803 50 10 GHCARN CCN(CC)c1ccc(CN(C)C(=O)/C=C\c2ccc(C(=O)NC)cc2)cc1 ZINC000096997669 208333779 /nfs/dbraw/zinc/33/37/79/208333779.db2.gz FPMMAASLBZAYCE-WJDWOHSUSA-N 0 0 379.504 3.564 50 10 GHCARN CN(C)c1ccc(CNc2nc(-c3ccccc3)nn2C(=O)c2cccnc2)cc1 ZINC000004757650 208546124 /nfs/dbraw/zinc/54/61/24/208546124.db2.gz NYHZJCDTTQDWIM-UHFFFAOYSA-N 0 0 398.470 3.707 50 10 GHCARN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N2CCc3ccccc3C2)cc1 ZINC000005643850 208674596 /nfs/dbraw/zinc/67/45/96/208674596.db2.gz KJMNJGJZIKOYMK-UHFFFAOYSA-N 0 0 388.467 3.836 50 10 GHCARN COc1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000006831054 220968345 /nfs/dbraw/zinc/96/83/45/220968345.db2.gz ATMKCWRUUYGEPH-UHFFFAOYSA-N 0 0 378.428 3.898 50 10 GHCARN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(Cl)ccc2O)cc1 ZINC000007988840 221021366 /nfs/dbraw/zinc/02/13/66/221021366.db2.gz UQJRFPWDEGAQMR-GOSISDBHSA-N 0 0 388.895 3.933 50 10 GHCARN Cc1cc(C)cc(C2(C(=O)NCc3ccc(N4CCOCC4)cc3)CCC2)c1 ZINC000056199458 132447355 /nfs/dbraw/zinc/44/73/55/132447355.db2.gz RJPDEVIGHURCHR-UHFFFAOYSA-N 0 0 378.516 3.878 50 10 GHCARN CCn1ccc2c1cccc2CCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000065210245 136159975 /nfs/dbraw/zinc/15/99/75/136159975.db2.gz SPQJEDVYUAEGCC-UHFFFAOYSA-N 0 0 391.515 3.951 50 10 GHCARN Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(c1ccc3c(c1)OCO3)CO2 ZINC000002112978 136193324 /nfs/dbraw/zinc/19/33/24/136193324.db2.gz ODFVEDWMMSSRGM-UHFFFAOYSA-N 0 0 377.396 3.675 50 10 biogenic GHCARN COc1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 ZINC000011562552 570229369 /nfs/dbraw/zinc/22/93/69/570229369.db2.gz ISOHVSVVNKPYHV-NRFANRHFSA-N 0 0 383.492 3.974 50 10 GHCARN O=C(C1=CN(c2cccc(Cl)c2)c2ccccc2S1(=O)=O)N1CCCC1 ZINC000049003777 570261724 /nfs/dbraw/zinc/26/17/24/570261724.db2.gz NHRQOJDSMAKVHH-UHFFFAOYSA-N 0 0 388.876 3.729 50 10 GHCARN CCCCN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S ZINC000002289310 570281185 /nfs/dbraw/zinc/28/11/85/570281185.db2.gz DMHXWNLIZIJEOX-QXMHVHEDSA-N 0 0 397.319 3.773 50 10 GHCARN COc1ccc(NC(=O)N/C=C2/C(C)=NN(c3cccc(Cl)c3)C2=O)cc1 ZINC000102522388 570289535 /nfs/dbraw/zinc/28/95/35/570289535.db2.gz OSEFYOKLLCIDDR-BOPFTXTBSA-N 0 0 384.823 3.777 50 10 GHCARN CCSC1=NSC2=NC(=O)/C(=C\c3cccn3-c3ccccc3F)C(=N)N12 ZINC000004909302 570362075 /nfs/dbraw/zinc/36/20/75/570362075.db2.gz IIRSZPNEWMOSBA-JBAAZCDBSA-N 0 0 399.476 3.946 50 10 GHCARN COCCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S ZINC000005052158 570426345 /nfs/dbraw/zinc/42/63/45/570426345.db2.gz NZMSAUPQTSJXMG-XNTDXEJSSA-N 0 0 390.442 3.702 50 10 GHCARN Cc1nn(-c2ccccc2)c2c1CC1(C(=O)c3ccccc3C1=O)[C@@H]1CCCN21 ZINC000006558867 570477327 /nfs/dbraw/zinc/47/73/27/570477327.db2.gz CRPRWBVHNBNMBO-FQEVSTJZSA-N 0 0 383.451 3.771 50 10 GHCARN Cc1cccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1C ZINC000006747958 570491938 /nfs/dbraw/zinc/49/19/38/570491938.db2.gz QHZKRNBCAAROPO-QFIPXVFZSA-N 0 0 396.531 3.956 50 10 GHCARN COc1ccc(N2CCN(Cc3coc4ccc(Cl)cc4c3=O)CC2)cc1 ZINC000055292100 570690366 /nfs/dbraw/zinc/69/03/66/570690366.db2.gz BLLGWJLFGDCKMB-UHFFFAOYSA-N 0 0 384.863 3.777 50 10 GHCARN CC(=O)N1CCC2(CC1)N=C(c1ccccc1)C[C@H](c1cc(Cl)ccc1O)N2 ZINC000065297967 570787455 /nfs/dbraw/zinc/78/74/55/570787455.db2.gz UIQJWTUJGGLAJE-HXUWFJFHSA-N 0 0 397.906 3.908 50 10 biogenic GHCARN CC(C)c1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 ZINC000004657060 570808738 /nfs/dbraw/zinc/80/87/38/570808738.db2.gz QFLTUOCBZYJDFY-YGHDLIBZSA-N 0 0 375.457 3.872 50 10 GHCARN CCc1nnc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)s1 ZINC000007423387 570840889 /nfs/dbraw/zinc/84/08/89/570840889.db2.gz POXAXAGLZDOZHA-UHFFFAOYSA-N 0 0 393.925 3.885 50 10 GHCARN O=C(c1cc2c(c(Cl)c1)OCO2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000170623973 570882195 /nfs/dbraw/zinc/88/21/95/570882195.db2.gz YRFRLQLBRCDFMQ-HNNXBMFYSA-N 0 0 389.835 3.596 50 10 GHCARN Cc1nc(C(F)(F)F)ccc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000084028739 570991255 /nfs/dbraw/zinc/99/12/55/570991255.db2.gz BKPRPCRKGLOBSS-UHFFFAOYSA-N 0 0 395.450 3.892 50 10 GHCARN CCOc1cccc(/C=C2/C(=O)N(Cc3ccccc3)C(C)=C2C(=O)OC)c1O ZINC000013039013 841047103 /nfs/dbraw/zinc/04/71/03/841047103.db2.gz APIXKAVKDABYGH-QGOAFFKASA-N 0 0 393.439 3.664 50 10 GHCARN N=C1/C(=C/c2c[nH]c3ccccc23)C(=O)N=C2SC(c3cccs3)=NN21 ZINC000004872540 209120260 /nfs/dbraw/zinc/12/02/60/209120260.db2.gz ZTNSNTCWMQDUPU-RFCLUPQTSA-N 0 0 377.454 3.897 50 10 GHCARN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000101792706 206303767 /nfs/dbraw/zinc/30/37/67/206303767.db2.gz AZPMIESRZCAZFG-LDADJPATSA-N 0 0 396.468 3.776 50 10 GHCARN CCC(CC)COC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(N(C)C)cc1 ZINC000000596454 206308566 /nfs/dbraw/zinc/30/85/66/206308566.db2.gz NUXNRTFTHROJJF-SFHVURJKSA-N 0 0 375.538 3.525 50 10 GHCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cccc(Br)c3)C2=N)S1 ZINC000009553597 206332392 /nfs/dbraw/zinc/33/23/92/206332392.db2.gz AFYMXKZIHRRRJQ-UZTJDCKESA-N 0 0 377.267 3.868 50 10 GHCARN CCOC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C)cc1 ZINC000000924733 206334636 /nfs/dbraw/zinc/33/46/36/206334636.db2.gz WIPOGSAAJXCKTO-UHFFFAOYSA-N 0 0 395.484 3.995 50 10 GHCARN COc1ccc(N2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000001399593 206377842 /nfs/dbraw/zinc/37/78/42/206377842.db2.gz CFEFWVHUIIHKDO-UHFFFAOYSA-N 0 0 379.287 3.893 50 10 GHCARN CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@@H]2CCC[C@@H]2C)cc1 ZINC000001506296 206384181 /nfs/dbraw/zinc/38/41/81/206384181.db2.gz LJSNHZXUZXRBAV-QMIHWGKISA-N 0 0 385.508 3.893 50 10 GHCARN COC(=O)c1ccc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000001145290 206359503 /nfs/dbraw/zinc/35/95/03/206359503.db2.gz FUGRDEYIJCVKOR-BOPFTXTBSA-N 0 0 399.493 3.883 50 10 GHCARN COc1ccc(CN2C(=O)/C(=C3/C(=O)Nc4ccc(C)cc43)SC2=S)cc1 ZINC000001177563 206363536 /nfs/dbraw/zinc/36/35/36/206363536.db2.gz ZGUHREQXQFVZFC-MSUUIHNZSA-N 0 0 396.493 3.727 50 10 GHCARN O=C1OC(c2ccccc2)=N/C1=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005023921 206584369 /nfs/dbraw/zinc/58/43/69/206584369.db2.gz AMJUNRCCQVFKCC-GHRIWEEISA-N 0 0 377.400 3.930 50 10 GHCARN COc1ccccc1NC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000010262358 206810548 /nfs/dbraw/zinc/81/05/48/206810548.db2.gz NCXRVPBZSSJJOK-IBGZPJMESA-N 0 0 383.492 3.974 50 10 GHCARN CN(C)c1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2cccs2)cc1 ZINC000014610851 207024615 /nfs/dbraw/zinc/02/46/15/207024615.db2.gz BHXIBRFTFJOJSW-UHFFFAOYSA-N 0 0 393.472 3.966 50 10 GHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000016182019 207073270 /nfs/dbraw/zinc/07/32/70/207073270.db2.gz RLGYEPRINUULAF-UHFFFAOYSA-N 0 0 398.890 3.611 50 10 GHCARN CCn1c(/C=C2\C(=O)Nc3ccc(Br)cc32)nc2ccccc2c1=O ZINC000017721300 207090475 /nfs/dbraw/zinc/09/04/75/207090475.db2.gz IWNGRNLEIYYYTB-UVTDQMKNSA-N 0 0 396.244 3.672 50 10 GHCARN CCOC(=O)c1c(C)oc2c1c(C[NH+]1CCN(CC)CC1)c([O-])c1ccccc21 ZINC000019863999 207169039 /nfs/dbraw/zinc/16/90/39/207169039.db2.gz QPCFEUQBFHHPKV-UHFFFAOYSA-N 0 0 396.487 3.914 50 10 GHCARN O=c1cc(CN2CCCc3cc(OC(F)(F)F)ccc32)nc2sccn21 ZINC000029923020 207367025 /nfs/dbraw/zinc/36/70/25/207367025.db2.gz OYWGCWPRGSAGTJ-UHFFFAOYSA-N 0 0 381.379 3.607 50 10 GHCARN CN(C)c1ccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3nnnn32)cc1 ZINC000100821173 208380048 /nfs/dbraw/zinc/38/00/48/208380048.db2.gz COMSVUTXEQMBSD-KRWDZBQOSA-N 0 0 397.280 3.558 50 10 GHCARN Cc1cc(/C=C/C(=O)N(C)CC(=O)NC(C)(C)C)c(C)n1-c1ccc(C)cc1 ZINC000030944792 208981812 /nfs/dbraw/zinc/98/18/12/208981812.db2.gz XGSVETOZFKVVQY-JLHYYAGUSA-N 0 0 381.520 3.789 50 10 GHCARN CSc1nccn1-c1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000058770263 136155645 /nfs/dbraw/zinc/15/56/45/136155645.db2.gz LEFKANZFDWAEMT-UHFFFAOYSA-N 0 0 392.528 3.907 50 10 GHCARN O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C/c1ccccc1O ZINC000001471537 136193256 /nfs/dbraw/zinc/19/32/56/136193256.db2.gz XMDVTBUQVKQDLO-LDADJPATSA-N 0 0 399.903 3.838 50 10 GHCARN COc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000004178604 518146655 /nfs/dbraw/zinc/14/66/55/518146655.db2.gz GHTUCCKVKDCYOW-UHFFFAOYSA-N 0 0 387.391 3.732 50 10 GHCARN O=C(C1=CN(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1 ZINC000049003834 570261669 /nfs/dbraw/zinc/26/16/69/570261669.db2.gz UZRINAGIQCHBLD-UHFFFAOYSA-N 0 0 388.876 3.729 50 10 GHCARN Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)ccc1F ZINC000049003796 570261896 /nfs/dbraw/zinc/26/18/96/570261896.db2.gz YEJJDFZXXNDJTG-UHFFFAOYSA-N 0 0 386.448 3.523 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3cc(-c4cccc(Cl)c4)n[nH]3)CC2)cc1 ZINC000046455135 570272867 /nfs/dbraw/zinc/27/28/67/570272867.db2.gz PJJKIOQZWVIBPK-UHFFFAOYSA-N 0 0 396.878 3.701 50 10 GHCARN CN1C(=O)C(=Cc2ccc(Sc3ccccc3Cl)o2)C(=O)N(C)C1=O ZINC000005028547 570399916 /nfs/dbraw/zinc/39/99/16/570399916.db2.gz IIANFMPVQFTZKR-UHFFFAOYSA-N 0 0 376.821 3.518 50 10 GHCARN Cc1ccc(-c2ccc(/C=C3/SC(=S)N(N4CCOCC4)C3=O)o2)cc1 ZINC000005032683 570401417 /nfs/dbraw/zinc/40/14/17/570401417.db2.gz WLXIBWCJKQBQHS-SFQUDFHCSA-N 0 0 386.498 3.703 50 10 GHCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(C(=O)N(C)C)cc1 ZINC000005443086 570439985 /nfs/dbraw/zinc/43/99/85/570439985.db2.gz MLQXMFRQWJWJIV-MOSHPQCFSA-N 0 0 376.460 3.724 50 10 GHCARN COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(Br)cc3)C2)c(O)c1 ZINC000005163503 570468567 /nfs/dbraw/zinc/46/85/67/570468567.db2.gz LLEZIRBHICTNNA-KRWDZBQOSA-N 0 0 389.249 3.861 50 10 GHCARN CCCOc1ccc(/C=C2/SC(=S)N(CCOC)C2=O)cc1OCC ZINC000002811788 570519210 /nfs/dbraw/zinc/51/92/10/570519210.db2.gz DZOMRSLSQFMPRA-FOWTUZBSSA-N 0 0 381.519 3.722 50 10 GHCARN COc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000003034722 570530625 /nfs/dbraw/zinc/53/06/25/570530625.db2.gz HLYYXTLBEKAVQI-OQLLNIDSSA-N 0 0 389.429 3.542 50 10 GHCARN CC1=CC2=NC(=O)/C(=C\c3cccn3CCOc3cc(C)ccc3C)C(=N)N2O1 ZINC000032969685 570554824 /nfs/dbraw/zinc/55/48/24/570554824.db2.gz LEPBMXMHASVGSJ-FQGQUVFJSA-N 0 0 390.443 3.634 50 10 GHCARN COc1ccc(N2CCN(Cc3nc(Cc4cccc(F)c4)no3)[C@H](C)C2)cc1 ZINC000036385822 570564526 /nfs/dbraw/zinc/56/45/26/570564526.db2.gz GYEKTZVRDOGVSU-MRXNPFEDSA-N 0 0 396.466 3.519 50 10 GHCARN CC(=O)Oc1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)c(OC(C)=O)c1 ZINC000012363796 570646133 /nfs/dbraw/zinc/64/61/33/570646133.db2.gz AORTXUUMVOKDKU-VCHYOVAHSA-N 0 0 378.380 3.827 50 10 GHCARN CC(=O)N1CCC2(CC1)N=C(c1ccc(C)c(C)c1)C[C@@H](c1ccccc1O)N2 ZINC000065297939 570787385 /nfs/dbraw/zinc/78/73/85/570787385.db2.gz LGRHAADIXKQHOK-QFIPXVFZSA-N 0 0 391.515 3.871 50 10 biogenic GHCARN CCn1c(-c2ccccc2)cnc1SCC(=O)NCc1cccc(OC)c1 ZINC000012506728 570822380 /nfs/dbraw/zinc/82/23/80/570822380.db2.gz DKGXPBDZAZEYCJ-UHFFFAOYSA-N 0 0 381.501 3.987 50 10 GHCARN COc1ccc(N2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000007642934 571009993 /nfs/dbraw/zinc/00/99/93/571009993.db2.gz QHHGWMYMWGABSI-UHFFFAOYSA-N 0 0 378.394 3.605 50 10 GHCARN COc1ccccc1OCCOc1ccccc1C=C1SC(=S)NC1=O ZINC000005203344 835109317 /nfs/dbraw/zinc/10/93/17/835109317.db2.gz XGTKDRWNDKCGEB-ATVHPVEESA-N 0 0 387.482 3.642 50 10 GHCARN COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)N2CCCC2)c1C ZINC000002655757 861479559 /nfs/dbraw/zinc/47/95/59/861479559.db2.gz YNAVSVXQLBJQGY-UHFFFAOYSA-N 0 0 390.867 3.535 50 10 GHCARN CCc1ccc2c(CN3CCN(c4ccc(OC)cc4)CC3)cc(=O)oc2c1 ZINC000057548115 862160005 /nfs/dbraw/zinc/16/00/05/862160005.db2.gz UOZRGYJRJFBAQA-UHFFFAOYSA-N 0 0 378.472 3.686 50 10 GHCARN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000010262372 857425389 /nfs/dbraw/zinc/42/53/89/857425389.db2.gz FUKCEFMTYOMDQZ-IBGZPJMESA-N 0 0 397.475 3.694 50 10 GHCARN COc1cc(C=C2SC(NC3CCCCC3)=NC2=O)cc(OC)c1OC ZINC000007209186 918872845 /nfs/dbraw/zinc/87/28/45/918872845.db2.gz BNZGNEPIVKZEGF-WJDWOHSUSA-N 0 0 376.478 3.605 50 10 GHCARN O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Oc1cccc(O)c1 ZINC000009764055 206376601 /nfs/dbraw/zinc/37/66/01/206376601.db2.gz VHQZONMLPQJVCD-WJDWOHSUSA-N 0 0 385.466 3.589 50 10 GHCARN O=C1c2ccccc2-c2onc3c2c1c(N1CCOCC1)cc3Br ZINC000001432219 206382333 /nfs/dbraw/zinc/38/23/33/206382333.db2.gz LXDNUGQQGANZOC-UHFFFAOYSA-N 0 0 385.217 3.638 50 10 GHCARN O=C(C(=O)c1ccc(Br)cc1)C(=O)c1ccc(Br)cc1 ZINC000002028824 206396334 /nfs/dbraw/zinc/39/63/34/206396334.db2.gz YRWRYDUHVFXAHA-UHFFFAOYSA-N 0 0 396.034 3.846 50 10 GHCARN O=C1/C(=C/c2coc3ccc(O)cc3c2=O)SC(=S)N1c1ccccc1 ZINC000002226048 206403099 /nfs/dbraw/zinc/40/30/99/206403099.db2.gz ADTOQDFJFAQTAP-PXNMLYILSA-N 0 0 381.434 3.904 50 10 GHCARN Nc1ccc(NC(=O)c2cc3c(s2)CCC3)c2c1C(=O)c1ccccc1C2=O ZINC000004871471 206564507 /nfs/dbraw/zinc/56/45/07/206564507.db2.gz IGQPXHWVCWGDBC-UHFFFAOYSA-N 0 0 388.448 3.847 50 10 GHCARN COc1ccc(-n2c(C)cc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c2C)cc1 ZINC000006961777 206698151 /nfs/dbraw/zinc/69/81/51/206698151.db2.gz TUQIZSWJEQBXKY-KGENOOAVSA-N 0 0 387.439 3.564 50 10 GHCARN O=C1/C(=C/c2ccccc2Br)SC(=S)N1C[C@H]1CCCO1 ZINC000009190102 206777272 /nfs/dbraw/zinc/77/72/72/206777272.db2.gz SDBQLZVMIJAPLA-JYVXZMADSA-N 0 0 384.320 3.829 50 10 GHCARN O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1C1CCCCC1 ZINC000015837440 207063793 /nfs/dbraw/zinc/06/37/93/207063793.db2.gz RFVHEGZIAIFSQC-CHHVJCJISA-N 0 0 392.458 3.857 50 10 GHCARN CN(C)c1ccc(/C=c2\sc3nc(-c4cccc5ccccc54)nn3c2=O)cc1 ZINC000016736058 207077369 /nfs/dbraw/zinc/07/73/69/207077369.db2.gz UZNUUFKFXMVLQJ-ZHZULCJRSA-N 0 0 398.491 3.585 50 10 GHCARN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000025059716 207300815 /nfs/dbraw/zinc/30/08/15/207300815.db2.gz QODLVVTZOJZYEO-UHFFFAOYSA-N 0 0 383.517 3.820 50 10 GHCARN CC(=O)Nc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 ZINC000027530350 207327528 /nfs/dbraw/zinc/32/75/28/207327528.db2.gz ZAWFGMLFIUCERG-MHWRWJLKSA-N 0 0 399.453 3.959 50 10 GHCARN Cc1cc(C(=O)Nc2cccn(Cc3ccccc3)c2=O)c(C)n1-c1ccccn1 ZINC000131658705 208102326 /nfs/dbraw/zinc/10/23/26/208102326.db2.gz JTZMTVGAWBZUKU-UHFFFAOYSA-N 0 0 398.466 3.951 50 10 GHCARN Cc1cc(/C=C\C(=O)NCc2nnc3n2CCCCC3)c(C)n1-c1ccccc1 ZINC000096943854 208332252 /nfs/dbraw/zinc/33/22/52/208332252.db2.gz LNQPDAYEEZIDAF-SEYXRHQNSA-N 0 0 389.503 3.742 50 10 GHCARN COc1cc(C=C2SC(Nc3cccc(C)c3)=NC2=O)cc2c1OCCO2 ZINC000096663296 208321056 /nfs/dbraw/zinc/32/10/56/208321056.db2.gz LCZJDMBJQOQYRK-GZTJUZNOSA-N 0 0 382.441 3.857 50 10 GHCARN COCCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000100375754 208376799 /nfs/dbraw/zinc/37/67/99/208376799.db2.gz OKDNVFKVGHXGBT-JQIJEIRASA-N 0 0 392.484 3.557 50 10 GHCARN COC(=O)CN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S ZINC000006003455 220911755 /nfs/dbraw/zinc/91/17/55/220911755.db2.gz YHGBWGBIXILYIW-GZTJUZNOSA-N 0 0 399.493 3.640 50 10 GHCARN O=C(/C=C\c1cn(Cc2ccccc2)nn1)N(Cc1ccccc1)c1ccccn1 ZINC000096935975 209016444 /nfs/dbraw/zinc/01/64/44/209016444.db2.gz QGGUVURFVYRRFS-PFONDFGASA-N 0 0 395.466 3.968 50 10 GHCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1coc2ccccc2c1=O ZINC000006345037 220931067 /nfs/dbraw/zinc/93/10/67/220931067.db2.gz APRNMPPBLCYPJY-UHFFFAOYSA-N 0 0 395.370 3.821 50 10 biogenic GHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Br)cc1 ZINC000010906790 136199518 /nfs/dbraw/zinc/19/95/18/136199518.db2.gz DHDVGNIWOTWWOK-UHFFFAOYSA-N 0 0 389.293 3.558 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3cnc(-c4cccs4)nc3)[C@@H](C)C2)cc1 ZINC000072423014 536689768 /nfs/dbraw/zinc/68/97/68/536689768.db2.gz SNGKDMUUTWNFSM-HNNXBMFYSA-N 0 0 394.500 3.565 50 10 GHCARN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cccc(Br)c1 ZINC000014099556 570289520 /nfs/dbraw/zinc/28/95/20/570289520.db2.gz ZNDFOLCSTWKHKN-UHFFFAOYSA-N 0 0 397.338 3.726 50 10 GHCARN COc1ccc(N2C(=O)c3ccc(Oc4ccc(N)cc4)cc3C2=O)cc1OC ZINC000002944677 570319081 /nfs/dbraw/zinc/31/90/81/570319081.db2.gz GHYHNKPGQFLOLU-UHFFFAOYSA-N 0 0 390.395 3.879 50 10 GHCARN COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc4ccccc4c3)CC2)cc1 ZINC000006398928 570404503 /nfs/dbraw/zinc/40/45/03/570404503.db2.gz MWAPZPIJNUEKDI-SFHVURJKSA-N 0 0 390.483 3.965 50 10 GHCARN CN(C)c1ccc([C@H](CNC(=O)c2ccco2)N2CCc3ccccc32)cc1 ZINC000005098693 570415728 /nfs/dbraw/zinc/41/57/28/570415728.db2.gz ILJMHRJXOQSNJU-NRFANRHFSA-N 0 0 375.472 3.879 50 10 GHCARN Cc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 ZINC000006747932 570566800 /nfs/dbraw/zinc/56/68/00/570566800.db2.gz YBFCQKFAKITKIY-QFIPXVFZSA-N 0 0 382.504 3.648 50 10 GHCARN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000006865677 570654758 /nfs/dbraw/zinc/65/47/58/570654758.db2.gz DLPYXARFKZJFSE-UHFFFAOYSA-N 0 0 391.423 3.905 50 10 GHCARN CCOc1ccccc1CNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000012412476 570656491 /nfs/dbraw/zinc/65/64/91/570656491.db2.gz MDHZIHMDDPSOAY-UHFFFAOYSA-N 0 0 385.419 3.791 50 10 GHCARN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCc1c[nH]cn1 ZINC000013549418 570757500 /nfs/dbraw/zinc/75/75/00/570757500.db2.gz CUVBLZQQQFFQDE-QGOAFFKASA-N 0 0 394.504 3.628 50 10 GHCARN COc1cccc(-n2c(C)cc(C(=O)Nc3ccc4c(c3)NC(=O)CO4)c2C)c1 ZINC000032796524 570818631 /nfs/dbraw/zinc/81/86/31/570818631.db2.gz OKQIZFXDRRVWSH-UHFFFAOYSA-N 0 0 391.427 3.686 50 10 GHCARN Cc1ccc(C(C)C)c(OCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000012608319 570889451 /nfs/dbraw/zinc/88/94/51/570889451.db2.gz MGKTWCZGWIDIPL-UHFFFAOYSA-N 0 0 396.531 3.992 50 10 GHCARN CCOC(=O)COc1ccc2ccccc2c1/C=C1/SC(=S)N(C)C1=O ZINC000004740084 570953810 /nfs/dbraw/zinc/95/38/10/570953810.db2.gz SRQVKRXFDMKIQP-MHWRWJLKSA-N 0 0 387.482 3.613 50 10 GHCARN COC(=O)c1cc(Cl)c(NC(=O)N(C)Cc2ccccc2O)cc1OC ZINC000047526034 570962916 /nfs/dbraw/zinc/96/29/16/570962916.db2.gz JHCCEDLGIPWEBX-UHFFFAOYSA-N 0 0 378.812 3.505 50 10 GHCARN CCCCCOc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1OC ZINC000002279131 856362043 /nfs/dbraw/zinc/36/20/43/856362043.db2.gz MLOWZVIIVIYUTG-NBVRZTHBSA-N 0 0 390.505 3.567 50 10 GHCARN COc1ccccc1NC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000010262359 857425540 /nfs/dbraw/zinc/42/55/40/857425540.db2.gz NCXRVPBZSSJJOK-LJQANCHMSA-N 0 0 383.492 3.974 50 10 GHCARN COc1ccc(CCC(=O)N2CCOc3ccc(N4CCCC4)cc3C2)cc1 ZINC000581789320 870003026 /nfs/dbraw/zinc/00/30/26/870003026.db2.gz VNVOYJNVZUGPSJ-UHFFFAOYSA-N 0 0 380.488 3.649 50 10 GHCARN CCn1c(/C=C2/C(=O)Nc3ccc(Br)cc32)nc2ccccc2c1=O ZINC000032618002 875085669 /nfs/dbraw/zinc/08/56/69/875085669.db2.gz IWNGRNLEIYYYTB-GXDHUFHOSA-N 0 0 396.244 3.672 50 10 GHCARN O=c1c2cc(Cl)ccc2nc2n1CC/C2=C/c1ccc(N2CCOCC2)cc1 ZINC000009157698 875613907 /nfs/dbraw/zinc/61/39/07/875613907.db2.gz GFVHUNIHUVIDMR-SSZFMOIBSA-N 0 0 393.874 3.831 50 10 GHCARN CCCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OC ZINC000009604021 923221936 /nfs/dbraw/zinc/22/19/36/923221936.db2.gz WNINBCIBZNIPFH-VBKFSLOCSA-N 0 0 381.519 3.722 50 10 GHCARN COc1ccc(NC2=NC(=O)C(=Cc3cc(OC)c(O)c(OC)c3)S2)cc1 ZINC000008726079 206294325 /nfs/dbraw/zinc/29/43/25/206294325.db2.gz BDNJBQHXQJKVBF-MHWRWJLKSA-N 0 0 386.429 3.500 50 10 GHCARN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000000797858 206321305 /nfs/dbraw/zinc/32/13/05/206321305.db2.gz NNNRLTWDTYVNSQ-WJDWOHSUSA-N 0 0 397.402 3.720 50 10 GHCARN COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc1 ZINC000001090158 206350708 /nfs/dbraw/zinc/35/07/08/206350708.db2.gz QUMIVJMPBNGJLO-WJDWOHSUSA-N 0 0 384.482 3.550 50 10 GHCARN Cc1cc(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)no1 ZINC000001149149 206360133 /nfs/dbraw/zinc/36/01/33/206360133.db2.gz DXYBVZKUHZGOCF-OTLSHVCWSA-N 0 0 399.497 3.769 50 10 GHCARN O=C(NN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)c1ccccc1O ZINC000001236352 206370906 /nfs/dbraw/zinc/37/09/06/206370906.db2.gz VYYXMVUCNRDQPE-ZROIWOOFSA-N 0 0 390.873 3.592 50 10 GHCARN O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1c1ccc2c(c1)OCCO2 ZINC000003325538 206470394 /nfs/dbraw/zinc/47/03/94/206470394.db2.gz DWEYKNWBJSXKRV-CAOOACKPSA-N 0 0 399.449 3.592 50 10 GHCARN COc1ccc(N2CC[C@H](CNC(=S)Nc3cc(F)cc(F)c3)C2)cc1 ZINC000003051066 206456438 /nfs/dbraw/zinc/45/64/38/206456438.db2.gz FURJHTBJLSNULD-CYBMUJFWSA-N 0 0 377.460 3.786 50 10 GHCARN CN(C)c1ccc(/C=C2\NC(=S)N(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000003261567 206465266 /nfs/dbraw/zinc/46/52/66/206465266.db2.gz GNUUTPCKXKIRIN-WJDWOHSUSA-N 0 0 389.427 3.616 50 10 GHCARN Cc1cc(C(=O)CN(C)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 ZINC000003491721 206483596 /nfs/dbraw/zinc/48/35/96/206483596.db2.gz JEASKLFULANVJY-UHFFFAOYSA-N 0 0 382.485 3.598 50 10 GHCARN COc1cc2c(cc1/C=C1\SC(=S)N(CCc3ccccc3)C1=O)OCO2 ZINC000015011217 207039913 /nfs/dbraw/zinc/03/99/13/207039913.db2.gz AIIJJKCDOGRKEG-ZDLGFXPLSA-N 0 0 399.493 3.868 50 10 GHCARN COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)ccc1O ZINC000015938703 207069600 /nfs/dbraw/zinc/06/96/00/207069600.db2.gz DCINAMQOZUEUCE-DHDCSXOGSA-N 0 0 387.233 3.969 50 10 GHCARN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1cccc2nsnc21 ZINC000019105094 207103381 /nfs/dbraw/zinc/10/33/81/207103381.db2.gz YUJCEBXUOUOSDI-UHFFFAOYSA-N 0 0 381.486 3.823 50 10 GHCARN COc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccco1 ZINC000019855500 207166874 /nfs/dbraw/zinc/16/68/74/207166874.db2.gz RIYCIWCGAJDJRM-UHFFFAOYSA-N 0 0 388.427 3.910 50 10 GHCARN N=C1/C(=C\c2cccc3ccccc23)C(=O)N=C2SC(N3CCCCC3)=NN21 ZINC000020356445 207189701 /nfs/dbraw/zinc/18/97/01/207189701.db2.gz HGSSPWDTWITBET-GQCVOSMTSA-N 0 0 389.484 3.902 50 10 GHCARN CN1C(=O)C(=Cc2ccc(SCc3ccc(Cl)cc3)o2)C(=O)N(C)C1=O ZINC000020324480 207188353 /nfs/dbraw/zinc/18/83/53/207188353.db2.gz HJWBCXDSMINQMF-UHFFFAOYSA-N 0 0 390.848 3.659 50 10 GHCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 ZINC000022079149 207246123 /nfs/dbraw/zinc/24/61/23/207246123.db2.gz CBQWONJPJKUUPR-PDGQHHTCSA-N 0 0 397.390 3.636 50 10 GHCARN CN1c2ccccc2/C(=C\c2nc3ccccc3c(=O)n2Cc2ccccc2)C1=O ZINC000032124956 207396008 /nfs/dbraw/zinc/39/60/08/207396008.db2.gz UQGUQKOSFGDIDT-HMMYKYKNSA-N 0 0 393.446 3.962 50 10 GHCARN CN(C)c1ccc(CNC(=O)c2nn(C)c3c2CSc2ccc(F)cc2-3)cc1 ZINC000035534903 207496605 /nfs/dbraw/zinc/49/66/05/207496605.db2.gz PIHOIMLLISDGDL-UHFFFAOYSA-N 0 0 396.491 3.828 50 10 GHCARN C[C@@H](c1ccccc1O)N(C)C(=O)c1ccc(F)cc1I ZINC000089909748 207795132 /nfs/dbraw/zinc/79/51/32/207795132.db2.gz QAGCQGWHTAZGQD-JTQLQIEISA-N 0 0 399.203 3.969 50 10 GHCARN O=c1c(C=Nc2cccc(F)c2)c(C(F)(F)F)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000100397141 208377256 /nfs/dbraw/zinc/37/72/56/208377256.db2.gz GNKGXLMEMWQTLO-NTEUORMPSA-N 0 0 394.284 3.995 50 10 GHCARN CCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OCC)C2=O)cc1 ZINC000012635847 208772660 /nfs/dbraw/zinc/77/26/60/208772660.db2.gz WZDSTZZRDVILCQ-PTNGSMBKSA-N 0 0 379.503 3.630 50 10 GHCARN CC1CCN(CC(=O)N2N=C(c3ccccc3O)C[C@@H]2c2cccs2)CC1 ZINC000241684830 209019702 /nfs/dbraw/zinc/01/97/02/209019702.db2.gz QFNMTDHEZFMCNI-GOSISDBHSA-N 0 0 383.517 3.863 50 10 GHCARN CN(C)c1ccc(CNC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 ZINC000040103422 132395826 /nfs/dbraw/zinc/39/58/26/132395826.db2.gz FXEVXDAGSYXKSY-UHFFFAOYSA-N 0 0 388.899 3.564 50 10 GHCARN [O-]c1ccc2c(-c3ccccc3)noc2c1C[NH+]1CCN(c2ccccn2)CC1 ZINC000041585927 136155672 /nfs/dbraw/zinc/15/56/72/136155672.db2.gz LTCHAVMLPPEEAW-UHFFFAOYSA-N 0 0 386.455 3.918 50 10 GHCARN CC(C)CCNC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000011641377 570245681 /nfs/dbraw/zinc/24/56/81/570245681.db2.gz HAPBQUOUOZCFMA-GOSISDBHSA-N 0 0 387.549 3.984 50 10 GHCARN COc1ccc(N2CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1 ZINC000002830687 570305291 /nfs/dbraw/zinc/30/52/91/570305291.db2.gz XBMKXFCEAANHQU-UHFFFAOYSA-N 0 0 388.895 3.693 50 10 GHCARN COc1ccc(N2CCN(C(=S)c3cccc(Br)c3)CC2)cc1 ZINC000002886525 570316762 /nfs/dbraw/zinc/31/67/62/570316762.db2.gz OGSUASYJNCXTAM-UHFFFAOYSA-N 0 0 391.334 3.955 50 10 GHCARN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccccn1 ZINC000004661126 570390694 /nfs/dbraw/zinc/39/06/94/570390694.db2.gz OYBFKXJCLJHRCG-DEDYPNTBSA-N 0 0 386.455 3.890 50 10 GHCARN COc1ccc(C2=NN(C(C)=O)[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000005044012 570405305 /nfs/dbraw/zinc/40/53/05/570405305.db2.gz AFYOJVLGKVDXRY-KRWDZBQOSA-N 0 0 389.249 3.861 50 10 GHCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCN2CCOCC2)C1=O ZINC000027229685 570432443 /nfs/dbraw/zinc/43/24/43/570432443.db2.gz ZGJZHZGPPWESHV-FLNGBNSUSA-N 0 0 388.558 3.556 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)c(C)c4)on3)CC2)cc1 ZINC000027580181 570436287 /nfs/dbraw/zinc/43/62/87/570436287.db2.gz RIGCZWUTDHFKJU-UHFFFAOYSA-N 0 0 391.471 3.929 50 10 GHCARN CN(Cc1ccccc1O)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000053914735 570439472 /nfs/dbraw/zinc/43/94/72/570439472.db2.gz DAXPWKHWTNCFGD-KRWDZBQOSA-N 0 0 386.879 3.556 50 10 GHCARN CC(=O)Oc1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1 ZINC000002355948 570475691 /nfs/dbraw/zinc/47/56/91/570475691.db2.gz MIPLRRWGQFRABF-ZJNHSXOMSA-N 0 0 389.436 3.916 50 10 GHCARN Cc1nn(-c2ccccc2)c2c1CC1(C(=O)c3ccccc3C1=O)[C@H]1CCCN21 ZINC000006558865 570477419 /nfs/dbraw/zinc/47/74/19/570477419.db2.gz CRPRWBVHNBNMBO-HXUWFJFHSA-N 0 0 383.451 3.771 50 10 GHCARN Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000005249973 570525328 /nfs/dbraw/zinc/52/53/28/570525328.db2.gz IRIQWDIOSRYVSM-DVUFLMGDSA-N 0 0 377.473 3.960 50 10 GHCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccnc3)C2=O)cc1 ZINC000008656975 570536636 /nfs/dbraw/zinc/53/66/36/570536636.db2.gz KWCSSHMSDJDTKF-WJDWOHSUSA-N 0 0 383.498 3.620 50 10 GHCARN C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000010113289 570565476 /nfs/dbraw/zinc/56/54/76/570565476.db2.gz FOBHNMUUQNDEIH-HNNXBMFYSA-N 0 0 390.936 3.974 50 10 GHCARN COc1ccccc1/C=C1\SC(N2CCN(c3ccccc3F)CC2)=NC1=O ZINC000005372545 570568810 /nfs/dbraw/zinc/56/88/10/570568810.db2.gz SPOCADJJVSHOCI-RGEXLXHISA-N 0 0 397.475 3.627 50 10 GHCARN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(O)c(CN3CCOCC3)c21 ZINC000038626652 570580823 /nfs/dbraw/zinc/58/08/23/570580823.db2.gz RMSLEELMEORVED-UHFFFAOYSA-N 0 0 394.471 3.653 50 10 GHCARN CC(=O)N1CCc2cc(CNC(=O)c3ccc(-n4c(C)ccc4C)cc3)ccc21 ZINC000064977999 570622905 /nfs/dbraw/zinc/62/29/05/570622905.db2.gz SVEKAQJEKVJQKP-UHFFFAOYSA-N 0 0 387.483 3.933 50 10 GHCARN COc1ccc(N(C)Cc2cn3cc(Br)ccc3n2)cc1OC ZINC000058296547 570724861 /nfs/dbraw/zinc/72/48/61/570724861.db2.gz WFRZRPXEUONAAW-UHFFFAOYSA-N 0 0 376.254 3.750 50 10 GHCARN CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c(C[NH+](C)C)c1[O-] ZINC000000934347 570727413 /nfs/dbraw/zinc/72/74/13/570727413.db2.gz KJNAEXDMQJHQJL-UHFFFAOYSA-N 0 0 395.455 3.951 50 10 biogenic GHCARN O=C1c2ccccc2N[C@H](c2ccc(N3CCOCC3)cc2)N1Cc1ccco1 ZINC000007112546 570792202 /nfs/dbraw/zinc/79/22/02/570792202.db2.gz CWXMAWDRNRRSIC-QFIPXVFZSA-N 0 0 389.455 3.883 50 10 GHCARN COc1ccc(-n2c(C)cc(C(=O)Cn3cnc4sccc4c3=O)c2C)cc1 ZINC000007226245 570817937 /nfs/dbraw/zinc/81/79/37/570817937.db2.gz FDXHNITYYZBLNN-UHFFFAOYSA-N 0 0 393.468 3.757 50 10 GHCARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000012561892 570866154 /nfs/dbraw/zinc/86/61/54/570866154.db2.gz DYRKDVOMHQZCJK-UHFFFAOYSA-N 0 0 383.473 3.898 50 10 GHCARN COC(=O)[C@@H](C)N1C(=O)/C(=C/c2c(OC)ccc3ccccc32)SC1=S ZINC000001239093 570947918 /nfs/dbraw/zinc/94/79/18/570947918.db2.gz KXUUDEFDQPUWLX-FFCYNSPCSA-N 0 0 387.482 3.611 50 10 GHCARN COc1ccc(-n2c(C)cc(C(=O)N(C)[C@@H]3[C@H]4CCO[C@H]4C3(C)C)c2C)cc1 ZINC000252515326 570983257 /nfs/dbraw/zinc/98/32/57/570983257.db2.gz ISUYDTONBIAMGW-HMXCVIKNSA-N 0 0 382.504 3.988 50 10 GHCARN O=C1C(=CNC2CCCC2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 ZINC000023115240 848738861 /nfs/dbraw/zinc/73/88/61/848738861.db2.gz WTONDTXYBRVZHB-UHFFFAOYSA-N 0 0 387.524 3.859 50 10 GHCARN CCCCC1(C)OC(=O)C(=Cc2ccc(OC)c(Br)c2)C(=O)O1 ZINC000002970784 862076465 /nfs/dbraw/zinc/07/64/65/862076465.db2.gz BMSFIKWLXNRUTH-UHFFFAOYSA-N 0 0 383.238 3.848 50 10 GHCARN Cc1cc(C(=O)OCC(=O)NCc2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC000003349682 862358092 /nfs/dbraw/zinc/35/80/92/862358092.db2.gz OBCDZQWTTUGCFG-UHFFFAOYSA-N 0 0 380.419 3.706 50 10 GHCARN CN(C)c1ccc(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000253417595 855091620 /nfs/dbraw/zinc/09/16/20/855091620.db2.gz ARYQPMMITPKOFD-UHFFFAOYSA-N 0 0 391.437 3.729 50 10 GHCARN O=C(NC1=NN(c2ccccc2)C(=O)C1=C1CCCCCN1)Nc1ccccc1 ZINC000008381413 921720172 /nfs/dbraw/zinc/72/01/72/921720172.db2.gz RLHHSDOYXJEXMJ-HNENSFHCSA-N 0 0 389.459 3.586 50 10 GHCARN CN(C)c1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccccc3)C2=O)cc1 ZINC000012524037 927016046 /nfs/dbraw/zinc/01/60/46/927016046.db2.gz VBWJZXKCZWZEJS-VBKFSLOCSA-N 0 0 398.513 3.691 50 10 GHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Br)s1 ZINC000010906749 206294433 /nfs/dbraw/zinc/29/44/33/206294433.db2.gz RBMPHPJDMUUCNL-UHFFFAOYSA-N 0 0 395.322 3.619 50 10 GHCARN CCc1cc2c(=O)c(-c3nc4ccccc4n3C)coc2c(C[NH+](C)C)c1[O-] ZINC000000625840 206309129 /nfs/dbraw/zinc/30/91/29/206309129.db2.gz SEOOJQZAXYFUBN-UHFFFAOYSA-N 0 0 377.444 3.676 50 10 GHCARN O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1nccs1 ZINC000000975296 206338772 /nfs/dbraw/zinc/33/87/72/206338772.db2.gz FMPNGEMSWHKMKG-QBFSEMIESA-N 0 0 389.527 3.763 50 10 GHCARN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000001161732 206362262 /nfs/dbraw/zinc/36/22/62/206362262.db2.gz PHUQUBXTAVKICK-PXNMLYILSA-N 0 0 397.814 3.946 50 10 GHCARN COC(=O)c1ccc(/C=C2\SC(=S)N(c3cccc(OC)c3)C2=O)cc1 ZINC000001188040 206365588 /nfs/dbraw/zinc/36/55/88/206365588.db2.gz YBFSHCPHTDNCNQ-YBEGLDIGSA-N 0 0 385.466 3.888 50 10 GHCARN COc1ccc(C2=C/C(=C\c3ccc(OC(C)=O)cc3OC(C)=O)C(=O)O2)cc1 ZINC000001207246 206366801 /nfs/dbraw/zinc/36/68/01/206366801.db2.gz UJOFJUGIMXQTTR-LICLKQGHSA-N 0 0 394.379 3.527 50 10 GHCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(Cn2cncn2)cc1 ZINC000010394327 206391040 /nfs/dbraw/zinc/39/10/40/206391040.db2.gz BTWYJQVERUEYIE-UHFFFAOYSA-N 0 0 389.503 3.589 50 10 GHCARN O=S(=O)(Cc1c(F)cccc1Cl)NCc1ccc(N2CCCC2)cc1 ZINC000013670179 206987599 /nfs/dbraw/zinc/98/75/99/206987599.db2.gz POHMYHNFTAVQOQ-UHFFFAOYSA-N 0 0 382.888 3.699 50 10 GHCARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1OC ZINC000013810486 207001471 /nfs/dbraw/zinc/00/14/71/207001471.db2.gz OZQSLIGKWXWDOW-RGEXLXHISA-N 0 0 393.439 3.971 50 10 GHCARN Cc1cc(C(=O)OCC(=O)Nc2ccnn2C(C)C)c(C)n1-c1ccc(C)cc1 ZINC000014903822 207030488 /nfs/dbraw/zinc/03/04/88/207030488.db2.gz POUJQIBIADGANG-UHFFFAOYSA-N 0 0 394.475 3.975 50 10 GHCARN CCOc1ccc(NC=C2C(=O)NC(=S)N(CCC3=CCCCC3)C2=O)cc1 ZINC000018144657 207093397 /nfs/dbraw/zinc/09/33/97/207093397.db2.gz MUIIXGSTUOQNRO-JXAWBTAJSA-N 0 0 399.516 3.515 50 10 GHCARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000022064846 207246653 /nfs/dbraw/zinc/24/66/53/207246653.db2.gz UFYOXFOICUOSNK-ZHZULCJRSA-N 0 0 393.439 3.971 50 10 GHCARN CN(C)c1ccc(CNC(=O)c2cnn3c2nccc3-c2ccccc2)cc1F ZINC000058971396 207781921 /nfs/dbraw/zinc/78/19/21/207781921.db2.gz WFAJEEDQFKXBPG-UHFFFAOYSA-N 0 0 389.434 3.531 50 10 GHCARN CNc1c(Cl)c(Cl)c(N(C)C(C)=O)c2c1C(=O)c1ccccc1C2=O ZINC000004832113 570307108 /nfs/dbraw/zinc/30/71/08/570307108.db2.gz ZSKYXNGALCHSNQ-UHFFFAOYSA-N 0 0 377.227 3.793 50 10 GHCARN Cc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(C)C)cc1 ZINC000004953322 570381062 /nfs/dbraw/zinc/38/10/62/570381062.db2.gz PJNDHUKSGSNWBG-IBGZPJMESA-N 0 0 398.894 3.981 50 10 GHCARN Cc1cc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)no1 ZINC000004746559 570401870 /nfs/dbraw/zinc/40/18/70/570401870.db2.gz FZLIBLPYVZNDSB-FMIVXFBMSA-N 0 0 393.515 3.665 50 10 aggregator GHCARN COCCNC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000004999680 570422942 /nfs/dbraw/zinc/42/29/42/570422942.db2.gz FSTOJJZNLMWBAK-JXAWBTAJSA-N 0 0 392.484 3.557 50 10 GHCARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(OC)c1O ZINC000013802125 570496869 /nfs/dbraw/zinc/49/68/69/570496869.db2.gz YODPCLRMCSOXOI-AQTBWJFISA-N 0 0 393.439 3.977 50 10 GHCARN CC1=CC2=NC(=O)/C(=C\c3cccn3CCOc3ccc(C)cc3C)C(=N)N2O1 ZINC000032969680 570554719 /nfs/dbraw/zinc/55/47/19/570554719.db2.gz ARWFRQOMXACOEJ-FQGQUVFJSA-N 0 0 390.443 3.634 50 10 GHCARN Cc1c(C)c(=O)oc2c1ccc([O-])c2C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000006759585 570573995 /nfs/dbraw/zinc/57/39/95/570573995.db2.gz OVACHKRITAPERW-UHFFFAOYSA-N 0 0 392.499 3.870 50 10 GHCARN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O ZINC000004675422 570821311 /nfs/dbraw/zinc/82/13/11/570821311.db2.gz NRZJQXUDQHOYLE-KMTKGMGQSA-N 0 0 388.558 3.975 50 10 GHCARN COc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccccc3O)C2)cc1OC ZINC000004511409 570828237 /nfs/dbraw/zinc/82/82/37/570828237.db2.gz BNUGKBGGRRLPNI-QGZVFWFLSA-N 0 0 392.411 3.994 50 10 GHCARN COc1cccc(-n2c(C)cc(C(=O)NC3(c4noc(C)n4)CCCC3)c2C)c1 ZINC000065565801 570831310 /nfs/dbraw/zinc/83/13/10/570831310.db2.gz MKZCZALMJAIELA-UHFFFAOYSA-N 0 0 394.475 3.993 50 10 GHCARN CNc1snc(C)c1C(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000012651839 570947382 /nfs/dbraw/zinc/94/73/82/570947382.db2.gz GBZSMWHOGRELKN-UHFFFAOYSA-N 0 0 383.473 3.940 50 10 GHCARN CNC(=O)c1ccc(/C=C\C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000098004784 838503899 /nfs/dbraw/zinc/50/38/99/838503899.db2.gz REGZAZYXAOXQTF-GDNBJRDFSA-N 0 0 391.515 3.708 50 10 GHCARN C[C@@H]1CN(C2=NC(=O)/C(=C/c3ccccc3Br)S2)C[C@H](C)O1 ZINC000003636038 862534114 /nfs/dbraw/zinc/53/41/14/862534114.db2.gz CRIJERHIQFIVNQ-FGLUKDLVSA-N 0 0 381.295 3.529 50 10 GHCARN COc1ccc(N2CCN(C(=O)/C=C/c3cc(C)n(C4CC4)c3C)CC2)cc1 ZINC000007220037 918887278 /nfs/dbraw/zinc/88/72/78/918887278.db2.gz IGTUKELSQJXNFQ-NYYWCZLTSA-N 0 0 379.504 3.810 50 10 GHCARN O=C1/C(=C/c2cc3c(c(Cl)c2)OCO3)SC(=S)N1c1cccnc1 ZINC000008056805 921106046 /nfs/dbraw/zinc/10/60/46/921106046.db2.gz WWBXNQHAALGVQK-MLPAPPSSSA-N 0 0 376.846 3.870 50 10 GHCARN COc1ccc(NCN2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000003211921 209118692 /nfs/dbraw/zinc/11/86/92/209118692.db2.gz IAAVVWLNSIHMIH-PDGQHHTCSA-N 0 0 383.473 3.867 50 10 GHCARN O=[N+]([O-])c1ccc([O-])c(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000004980560 206249663 /nfs/dbraw/zinc/24/96/63/206249663.db2.gz NZPUDXBEGUWKPV-UHFFFAOYSA-N 0 0 381.354 3.641 50 10 in-vitro GHCARN COc1ccc(N2CCN(Cc3cc(=O)oc4c(C)cc(C)cc34)CC2)cc1 ZINC000054105887 206278433 /nfs/dbraw/zinc/27/84/33/206278433.db2.gz VYJUVFKOSQEBON-UHFFFAOYSA-N 0 0 378.472 3.741 50 10 GHCARN CC[NH+](CC)Cc1c([O-])ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc21 ZINC000020358357 206296609 /nfs/dbraw/zinc/29/66/09/206296609.db2.gz GQPQCJXHGVLEOY-UHFFFAOYSA-N 0 0 381.428 3.779 50 10 biogenic GHCARN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000001182569 206363720 /nfs/dbraw/zinc/36/37/20/206363720.db2.gz XMOXKNRMLUKCHR-UNOMPAQXSA-N 0 0 392.411 3.776 50 10 GHCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCC(C)CC3)C2=O)cc1 ZINC000001181302 206364213 /nfs/dbraw/zinc/36/42/13/206364213.db2.gz BTFJGLBTJPNQBR-LGMDPLHJSA-N 0 0 388.558 3.845 50 10 GHCARN CCN(CC)c1ccc(/C=c2/sc3nnc(-c4ccc(C)cc4)n3c2=O)cc1 ZINC000001199176 206367173 /nfs/dbraw/zinc/36/71/73/206367173.db2.gz PNCQPGNSQYOCGR-XMHGGMMESA-N 0 0 390.512 3.520 50 10 GHCARN O=C(c1ccc([N+](=O)[O-])o1)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O ZINC000004487162 206522491 /nfs/dbraw/zinc/52/24/91/206522491.db2.gz YQTHNUMLGQDRLV-CYBMUJFWSA-N 0 0 383.385 3.946 50 10 GHCARN COc1ccc2c3ccc(OCC(=O)N4CCC(C)CC4)c(C)c3oc(=O)c2c1 ZINC000004747413 206551126 /nfs/dbraw/zinc/55/11/26/206551126.db2.gz RNEXVMKFRNZAFB-UHFFFAOYSA-N 0 0 395.455 3.901 50 10 GHCARN CCCCOc1ccc(C(=O)NC2=N[C@@H](c3ccccc3Cl)CC(=O)N2)cc1 ZINC000006869859 206688270 /nfs/dbraw/zinc/68/82/70/206688270.db2.gz ANMPTXZLTIFGLU-GOSISDBHSA-N 0 0 399.878 3.866 50 10 GHCARN CC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cc(C)ccc3O)=NN12 ZINC000010214039 206809039 /nfs/dbraw/zinc/80/90/39/206809039.db2.gz GQJDMGAFFOIWIE-FQEVSTJZSA-N 0 0 391.471 3.583 50 10 GHCARN CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 ZINC000013943000 207004281 /nfs/dbraw/zinc/00/42/81/207004281.db2.gz BAPAVFIAXYOZLS-CXZDZRJTSA-N 0 0 395.410 3.714 50 10 GHCARN CN(C)c1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2ccccc2)cc1 ZINC000014610819 207025268 /nfs/dbraw/zinc/02/52/68/207025268.db2.gz CUOTYRMJVJQUSG-UHFFFAOYSA-N 0 0 387.443 3.905 50 10 GHCARN CCc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)[nH]n2)cc1 ZINC000015680548 207055574 /nfs/dbraw/zinc/05/55/74/207055574.db2.gz PVCJHDNLBXWGFX-UHFFFAOYSA-N 0 0 390.487 3.610 50 10 GHCARN Oc1ccccc1CN1CCN(Cc2ccccc2O)C1c1ccccc1O ZINC000019320645 207114889 /nfs/dbraw/zinc/11/48/89/207114889.db2.gz ANICLVHQMDRTIC-UHFFFAOYSA-N 0 0 376.456 3.820 50 10 GHCARN Oc1cc2c(cc1[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)OCO2 ZINC000019358635 207117616 /nfs/dbraw/zinc/11/76/16/207117616.db2.gz AWQPMEGCCWPTRI-SFHVURJKSA-N 0 0 381.350 3.561 50 10 GHCARN Oc1cc2c(cc1[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)OCO2 ZINC000019358636 207118293 /nfs/dbraw/zinc/11/82/93/207118293.db2.gz AWQPMEGCCWPTRI-GOSISDBHSA-N 0 0 381.350 3.561 50 10 GHCARN COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCOCC4)c32)cc1 ZINC000019793997 207162289 /nfs/dbraw/zinc/16/22/89/207162289.db2.gz DESBBNDVNHDBLM-UHFFFAOYSA-N 0 0 396.443 3.540 50 10 GHCARN CC1CCC2(CC1)NC(=O)N(CN(C)Cc1ccc(N3CCCCC3)cc1)C2=O ZINC000023653122 207279058 /nfs/dbraw/zinc/27/90/58/207279058.db2.gz CJSFGZVUVRMQDE-UHFFFAOYSA-N 0 0 398.551 3.567 50 10 GHCARN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000028580649 207345439 /nfs/dbraw/zinc/34/54/39/207345439.db2.gz VWZHQWGVUWGYIW-JOCHJYFZSA-N 0 0 392.455 3.714 50 10 GHCARN O=C1Nc2ccccc2/C1=C\c1nc2ccccc2c(=O)n1Cc1ccccc1 ZINC000032625319 207398331 /nfs/dbraw/zinc/39/83/31/207398331.db2.gz HDIOEXSAQMWABC-XMHGGMMESA-N 0 0 379.419 3.938 50 10 GHCARN COc1ccc([C@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)c(OC)c1 ZINC000089434783 208105161 /nfs/dbraw/zinc/10/51/61/208105161.db2.gz MFJBFMGBOWFOOG-GOSISDBHSA-N 0 0 392.411 3.994 50 10 GHCARN CNC(=O)Cc1nc(CN(Cc2ccccc2O)[C@H](C)c2ccccc2)cs1 ZINC000095451559 208182889 /nfs/dbraw/zinc/18/28/89/208182889.db2.gz PWKLVEPACOWFLY-MRXNPFEDSA-N 0 0 395.528 3.901 50 10 GHCARN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1cccc(OC)c1O ZINC000006199375 208723288 /nfs/dbraw/zinc/72/32/88/208723288.db2.gz QWDBXVDVUGUHMA-SFQUDFHCSA-N 0 0 379.412 3.586 50 10 GHCARN Cc1cc(C(=O)Cn2nc(-c3cccs3)oc2=O)c(C)n1-c1cccc(F)c1 ZINC000016462064 208797094 /nfs/dbraw/zinc/79/70/94/208797094.db2.gz MJFQVCBNEACALJ-UHFFFAOYSA-N 0 0 397.431 3.994 50 10 GHCARN CC(=O)Nc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 ZINC000007990507 221022641 /nfs/dbraw/zinc/02/26/41/221022641.db2.gz YKTVOLMTDSRYDA-QFIPXVFZSA-N 0 0 395.503 3.532 50 10 GHCARN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccccc2F)o1 ZINC000054284973 132442164 /nfs/dbraw/zinc/44/21/64/132442164.db2.gz XXIXCHPTYVHSDN-UHFFFAOYSA-N 0 0 380.419 3.852 50 10 GHCARN COC(=O)C1=CN(c2ccc(C(C)C)cc2)c2ccc(F)cc2S1(=O)=O ZINC000064979230 136158482 /nfs/dbraw/zinc/15/84/82/136158482.db2.gz HOROFVFOFYZAGC-UHFFFAOYSA-N 0 0 375.421 3.889 50 10 GHCARN COc1ccc(N2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)cc1 ZINC000005636617 136196840 /nfs/dbraw/zinc/19/68/40/136196840.db2.gz YUPWXMWRRSNRKZ-UHFFFAOYSA-N 0 0 392.253 3.693 50 10 GHCARN Cc1ccc(C(=O)CCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000021963286 136203304 /nfs/dbraw/zinc/20/33/04/136203304.db2.gz WNOKYHBWYUERIB-UHFFFAOYSA-N 0 0 386.517 3.515 50 10 GHCARN O=C(NCc1cc(Br)cc(Br)c1O)c1ccccc1 ZINC000000752032 570221985 /nfs/dbraw/zinc/22/19/85/570221985.db2.gz OWQKOVGAVCGSTE-UHFFFAOYSA-N 0 0 385.055 3.847 50 10 GHCARN CCOC(=O)NCCC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000048678476 570253656 /nfs/dbraw/zinc/25/36/56/570253656.db2.gz PEWDFMWXNORKML-QFIPXVFZSA-N 0 0 392.455 3.887 50 10 GHCARN O=C(NN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccccc1Cl ZINC000006132909 570276145 /nfs/dbraw/zinc/27/61/45/570276145.db2.gz QEXVKIONJYLVAK-XYOKQWHBSA-N 0 0 380.903 3.948 50 10 GHCARN CC(C)CSC1=NSC2=NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C(=N)N12 ZINC000004825874 570294377 /nfs/dbraw/zinc/29/43/77/570294377.db2.gz XIBPOPQMIVAYOY-FOVKKDFOSA-N 0 0 389.462 3.561 50 10 GHCARN O=C1Nc2ccc(Cl)cc2/C1=C1/SC(=S)N(Cc2ccco2)C1=O ZINC000002909725 570317795 /nfs/dbraw/zinc/31/77/95/570317795.db2.gz MRDLZEONEJRASZ-SEYXRHQNSA-N 0 0 376.846 3.657 50 10 GHCARN CN(C)c1ccc(CNC(=O)CC2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000035528961 570393446 /nfs/dbraw/zinc/39/34/46/570393446.db2.gz WWQOCCCGIGUPES-UHFFFAOYSA-N 0 0 394.519 3.703 50 10 GHCARN Cc1cc(C)cc(OCCn2cccc2/C=C2/C(=N)N3C=CSC3=NC2=O)c1 ZINC000033157346 570403505 /nfs/dbraw/zinc/40/35/05/570403505.db2.gz IJMMTCQRNRWTKT-SZBLNYPVSA-N 0 0 392.484 3.961 50 10 GHCARN COc1ccc(N2CCOCC2)c(NC(=O)c2ccccc2Br)c1 ZINC000007497000 570506223 /nfs/dbraw/zinc/50/62/23/570506223.db2.gz FTQZEAWGVJJKCE-UHFFFAOYSA-N 0 0 391.265 3.547 50 10 GHCARN CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 ZINC000012414020 570656709 /nfs/dbraw/zinc/65/67/09/570656709.db2.gz CHXSDBIUKLUXHG-BOPFTXTBSA-N 0 0 399.447 3.567 50 10 GHCARN CCCCOc1ccc(C(=O)NC2=N[C@H](c3ccccc3Cl)CC(=O)N2)cc1 ZINC000006869831 570658029 /nfs/dbraw/zinc/65/80/29/570658029.db2.gz ANMPTXZLTIFGLU-SFHVURJKSA-N 0 0 399.878 3.866 50 10 GHCARN CN(C)c1ccc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1 ZINC000012437202 570662595 /nfs/dbraw/zinc/66/25/95/570662595.db2.gz XEJKGIAGZWRRKJ-SILNSSARSA-N 0 0 392.528 3.545 50 10 GHCARN Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1-c1cccc(F)c1 ZINC000005623819 570672779 /nfs/dbraw/zinc/67/27/79/570672779.db2.gz FOHWSSVSQNRLBG-UHFFFAOYSA-N 0 0 394.233 3.980 50 10 GHCARN COc1ccc(N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000055561955 570696569 /nfs/dbraw/zinc/69/65/69/570696569.db2.gz PMZYYBSICYWFBY-UHFFFAOYSA-N 0 0 384.867 3.721 50 10 GHCARN CCN(CC)c1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000013582303 570760462 /nfs/dbraw/zinc/76/04/62/570760462.db2.gz JBHXGRMFFHZGFB-WISAJEAXSA-N 0 0 376.547 3.913 50 10 GHCARN COc1ccccc1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000013713961 570778237 /nfs/dbraw/zinc/77/82/37/570778237.db2.gz XMWXPXHWJBSORD-MFOYZWKCSA-N 0 0 385.466 3.825 50 10 GHCARN O=C(NCc1ccc(N2CCOCC2)cc1)c1cc2cn(C3CC3)cc2s1 ZINC000065285699 570781174 /nfs/dbraw/zinc/78/11/74/570781174.db2.gz NMYYTOIFYOTUPK-UHFFFAOYSA-N 0 0 381.501 3.804 50 10 GHCARN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccs3)C(C(=O)OC)=C2C)cc1 ZINC000004699094 570843250 /nfs/dbraw/zinc/84/32/50/570843250.db2.gz KRICUMJTUDZGOW-ATVHPVEESA-N 0 0 397.452 3.802 50 10 GHCARN O=C(c1cc2c(c(Cl)c1)OCO2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000170623975 570882265 /nfs/dbraw/zinc/88/22/65/570882265.db2.gz YRFRLQLBRCDFMQ-OAHLLOKOSA-N 0 0 389.835 3.596 50 10 GHCARN COc1ccc(N2CCN(c3nnc(SCc4cccnc4)s3)CC2)cc1 ZINC000023140011 570917058 /nfs/dbraw/zinc/91/70/58/570917058.db2.gz HNOSIAZKOLWNNL-UHFFFAOYSA-N 0 0 399.545 3.561 50 10 GHCARN CCC(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000023181503 570943999 /nfs/dbraw/zinc/94/39/99/570943999.db2.gz VVQIVVCYGKKCRM-IIBYNOLFSA-N 0 0 387.549 3.535 50 10 GHCARN COc1ccc2ncc(/C=C/[C@@]34NC(=O)CN3c3ccccc3C4(C)C)cc2c1 ZINC000002108740 570949550 /nfs/dbraw/zinc/94/95/50/570949550.db2.gz AAHHTLIZFZOYIZ-NFPSEPLVSA-N 0 0 385.467 3.881 50 10 biogenic GHCARN O=C(NN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccc(F)c(F)c1 ZINC000003267536 570955697 /nfs/dbraw/zinc/95/56/97/570955697.db2.gz MEGUWCCBEJSBKH-GHXNOFRVSA-N 0 0 382.438 3.573 50 10 GHCARN Cc1cc(N(CCO)CCO)ccc1/N=N/c1ccc([N+](=O)[O-])cc1Cl ZINC000004558679 570959225 /nfs/dbraw/zinc/95/92/25/570959225.db2.gz NBEXAEYARUBYDV-FMQUCBEESA-N 0 0 378.816 3.763 50 10 GHCARN COc1ccc(N2CCN(C(=O)CCSCc3ccccc3F)CC2)cc1 ZINC000002953776 862062616 /nfs/dbraw/zinc/06/26/16/862062616.db2.gz LTSHDMVFUMGZPB-UHFFFAOYSA-N 0 0 388.508 3.806 50 10 GHCARN COc1ccc(OC)c([C@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)c1 ZINC000253427575 855104554 /nfs/dbraw/zinc/10/45/54/855104554.db2.gz NGBLTNHUIGOFNL-GOSISDBHSA-N 0 0 392.411 3.994 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)c(F)c4)on3)CC2)cc1 ZINC000008587261 856275626 /nfs/dbraw/zinc/27/56/26/856275626.db2.gz ZTIQZMGCAXHFQA-UHFFFAOYSA-N 0 0 395.434 3.760 50 10 aggregator GHCARN O=C1/C(=C/c2cc3ccccc3[nH]c2=O)SC(=S)N1CCc1ccccc1 ZINC000012376278 883036389 /nfs/dbraw/zinc/03/63/89/883036389.db2.gz YCGKOROJVUSWAF-AQTBWJFISA-N 0 0 392.505 3.972 50 10 GHCARN O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1ccc(N2CCOCC2)cc1 ZINC000096759129 206301513 /nfs/dbraw/zinc/30/15/13/206301513.db2.gz GFVHUNIHUVIDMR-DTQAZKPQSA-N 0 0 393.874 3.831 50 10 GHCARN O=C1N=C(N2CCOCC2)S/C1=C\c1ccccc1OCc1ccccc1 ZINC000000851135 206327823 /nfs/dbraw/zinc/32/78/23/206327823.db2.gz CUAUJYOXSVQCDG-RGEXLXHISA-N 0 0 380.469 3.568 50 10 GHCARN Cc1nn([C@H](C)c2nc(-c3ccc(-n4cccc4)cc3)no2)c(C)c1[N+](=O)[O-] ZINC000001423482 206380368 /nfs/dbraw/zinc/38/03/68/206380368.db2.gz IFJFWUILXZIWJH-CQSZACIVSA-N 0 0 378.392 3.858 50 10 GHCARN CCN1C(=O)C(=Cc2cccn2-c2ccc(Cl)cc2)C(=O)N(CC)C1=S ZINC000001147406 206359720 /nfs/dbraw/zinc/35/97/20/206359720.db2.gz RBRMLRZVJAMDCR-UHFFFAOYSA-N 0 0 387.892 3.510 50 10 GHCARN COc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1 ZINC000004745461 206550679 /nfs/dbraw/zinc/55/06/79/206550679.db2.gz PULKOYXUXYDENC-RVDMUPIBSA-N 0 0 388.470 3.518 50 10 GHCARN Cc1c([O-])c(C[NH2+]C[C@H]2CCCO2)cc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000006719732 206665455 /nfs/dbraw/zinc/66/54/55/206665455.db2.gz DZHBDCLKZYKEAM-LJQANCHMSA-N 0 0 393.483 3.975 50 10 GHCARN CCOc1ccc(C(=O)Nc2cc(OC)ccc2N2CCOCC2)cc1Cl ZINC000007496823 206713956 /nfs/dbraw/zinc/71/39/56/206713956.db2.gz NJNZSSGIWFVHRP-UHFFFAOYSA-N 0 0 390.867 3.836 50 10 GHCARN CCOc1cc(/C=C2\C(=N)N3N=C(C(CC)CC)SC3=NC2=O)ccc1O ZINC000013811027 207000369 /nfs/dbraw/zinc/00/03/69/207000369.db2.gz UQIYZEUDHGHMJP-ILUQACKLSA-N 0 0 386.477 3.846 50 10 GHCARN Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1cccc(C)c1C ZINC000013810674 207001641 /nfs/dbraw/zinc/00/16/41/207001641.db2.gz YETORBDYIAIZBO-NRKWFKHNSA-N 0 0 377.473 3.960 50 10 GHCARN Cc1cc(/C=C2/SC(=N)NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000016268322 207073925 /nfs/dbraw/zinc/07/39/25/207073925.db2.gz RCMSWEPEXRUTTJ-RIYZIHGNSA-N 0 0 376.279 3.995 50 10 GHCARN Cc1ccc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 ZINC000019842366 207167121 /nfs/dbraw/zinc/16/71/21/207167121.db2.gz HBQKYULPFINXJD-HKWRFOASSA-N 0 0 377.513 3.783 50 10 GHCARN CC1=CC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)C(=N)N2O1 ZINC000020236106 207185092 /nfs/dbraw/zinc/18/50/92/207185092.db2.gz AXPPEMALYMSASD-BPHBXOPHSA-N 0 0 377.375 3.855 50 10 GHCARN COc1ccc(-n2c(C)cc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)c2C)cc1 ZINC000022008111 207244998 /nfs/dbraw/zinc/24/49/98/207244998.db2.gz YRJZVEMHFVWOMR-UHFFFAOYSA-N 0 0 376.416 3.525 50 10 GHCARN CCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 ZINC000022665096 207259390 /nfs/dbraw/zinc/25/93/90/207259390.db2.gz BJJZYNWITXHWDN-QHCPKHFHSA-N 0 0 394.563 3.532 50 10 GHCARN Cc1ccc(CNC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 ZINC000027019090 207323027 /nfs/dbraw/zinc/32/30/27/207323027.db2.gz DKEQADXHHYQEDE-AQTBWJFISA-N 0 0 396.537 3.903 50 10 GHCARN COc1ccc(N=Cc2c(C)[n-]n(-c3cccc(Cl)c3)c2=O)c([N+](=O)[O-])c1 ZINC000100535675 208376303 /nfs/dbraw/zinc/37/63/03/208376303.db2.gz PLQJZXNBEODRGC-XNTDXEJSSA-N 0 0 386.795 3.975 50 10 GHCARN COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)C3CC3)CC2)cc1 ZINC000023181578 208865178 /nfs/dbraw/zinc/86/51/78/208865178.db2.gz UWNHEZYWERCZFZ-IIBYNOLFSA-N 0 0 399.560 3.535 50 10 GHCARN C[C@@H]1CN(C2=NC(=O)/C(=C/c3ccc(Br)cc3)S2)C[C@H](C)O1 ZINC000033429974 208996935 /nfs/dbraw/zinc/99/69/35/208996935.db2.gz UCXZZOXSGKTSOF-FGLUKDLVSA-N 0 0 381.295 3.529 50 10 GHCARN Cc1nc(-c2cccc(NC(=O)NCc3ccc4c(c3)CCCN4C)c2)no1 ZINC000058645033 136155595 /nfs/dbraw/zinc/15/55/95/136155595.db2.gz ZEFSMNBFGHKBPU-UHFFFAOYSA-N 0 0 377.448 3.749 50 10 GHCARN CC(C)(C)c1cc(NC(=O)CN2CCCc3cc(OC(F)F)ccc32)on1 ZINC000065597216 136164176 /nfs/dbraw/zinc/16/41/76/136164176.db2.gz MAFHFHKTAYOOEK-UHFFFAOYSA-N 0 0 379.407 3.965 50 10 GHCARN COc1ccc(/C=C2\SC(N3CCN(c4ccccc4C)CC3)=NC2=O)cc1 ZINC000004811765 136194001 /nfs/dbraw/zinc/19/40/01/136194001.db2.gz FYSDEEINTYRUTB-HKWRFOASSA-N 0 0 393.512 3.796 50 10 GHCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNC(=O)c1cccc(Cl)c1 ZINC000010962972 136199486 /nfs/dbraw/zinc/19/94/86/136199486.db2.gz HVLUYRWQKZEVTG-UHFFFAOYSA-N 0 0 399.922 3.719 50 10 GHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(Br)c1 ZINC000010906875 136199506 /nfs/dbraw/zinc/19/95/06/136199506.db2.gz LXLHMMDMJHGRIO-UHFFFAOYSA-N 0 0 389.293 3.558 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3ccnc(-c4ccsc4)c3)CC2)cc1 ZINC000064676068 536689705 /nfs/dbraw/zinc/68/97/05/536689705.db2.gz SZWLAYWMSAQGIA-UHFFFAOYSA-N 0 0 379.485 3.781 50 10 GHCARN O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(O)cc1 ZINC000002302513 570281944 /nfs/dbraw/zinc/28/19/44/570281944.db2.gz KKMKLEKTAPBYFP-GXDHUFHOSA-N 0 0 390.511 3.684 50 10 GHCARN CCCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)C(=O)N(C)C1=O ZINC000575442993 570313569 /nfs/dbraw/zinc/31/35/69/570313569.db2.gz KHZJXIXOLWJXPI-RGEXLXHISA-N 0 0 392.455 3.788 50 10 GHCARN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2C[C@H](O)c1cccc(O)c1 ZINC000604403958 570361052 /nfs/dbraw/zinc/36/10/52/570361052.db2.gz FXHLKLADYKKGDW-FQEVSTJZSA-N 0 0 383.403 3.652 50 10 biogenic GHCARN Cc1c([O-])c(C[NH+](C)C)cc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc12 ZINC000004531307 570382397 /nfs/dbraw/zinc/38/23/97/570382397.db2.gz CKHNSMOSKONTRL-UHFFFAOYSA-N 0 0 375.428 3.721 50 10 GHCARN COc1ccc(/C=C2/SC(N3CCN(c4ccc(C)cc4)CC3)=NC2=O)cc1 ZINC000012378266 570478854 /nfs/dbraw/zinc/47/88/54/570478854.db2.gz OQFPBSNRSDEJHY-HMMYKYKNSA-N 0 0 393.512 3.796 50 10 GHCARN CCCCc1n[nH]c2c1CN(C(=O)[C@@H]1Nc3ccccc3[C@H]3C=CC[C@@H]31)CC2 ZINC000042451651 570619399 /nfs/dbraw/zinc/61/93/99/570619399.db2.gz DBIZCBPSBRHLTL-ULYRPOKDSA-N 0 0 376.504 3.791 50 10 GHCARN Cc1ccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1 ZINC000013749600 570784566 /nfs/dbraw/zinc/78/45/66/570784566.db2.gz CFUAYWFRLSUFPC-RGEXLXHISA-N 0 0 381.476 3.927 50 10 GHCARN CN(Cc1ccc(N2CCCCC2)cc1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000032770200 570804303 /nfs/dbraw/zinc/80/43/03/570804303.db2.gz YCUKHLSMWPIJFA-UHFFFAOYSA-N 0 0 396.447 3.583 50 10 GHCARN O=C(c1ccc([N+](=O)[O-])o1)N1N=C(c2cccs2)C[C@H]1c1ccccc1O ZINC000004487161 570807143 /nfs/dbraw/zinc/80/71/43/570807143.db2.gz YQTHNUMLGQDRLV-ZDUSSCGKSA-N 0 0 383.385 3.946 50 10 GHCARN CNC(=O)COc1ccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000104535138 570900987 /nfs/dbraw/zinc/90/09/87/570900987.db2.gz LMXWAJKZKCLZSF-UHFFFAOYSA-N 0 0 391.471 3.780 50 10 GHCARN Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000084053220 570992220 /nfs/dbraw/zinc/99/22/20/570992220.db2.gz BJMYSULDFZHWPZ-UHFFFAOYSA-N 0 0 381.501 3.953 50 10 GHCARN O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc21 ZINC000004181457 862846959 /nfs/dbraw/zinc/84/69/59/862846959.db2.gz VTHOKMPXVJBWOA-UHFFFAOYSA-N 0 0 397.839 3.916 50 10 GHCARN CN(C)c1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1 ZINC000010433389 857460564 /nfs/dbraw/zinc/46/05/64/857460564.db2.gz SQOWUFBGNVHSST-UHFFFAOYSA-N 0 0 392.478 3.886 50 10 GHCARN COc1ccc(CCN2C(=O)c3ccccc3N[C@H]2c2cccc(O)c2O)cc1 ZINC000007884417 879670383 /nfs/dbraw/zinc/67/03/83/879670383.db2.gz HIGJQTZHBVAZAK-JOCHJYFZSA-N 0 0 390.439 3.916 50 10 GHCARN O=C(/C=C/c1cn(Cc2ccccc2)nn1)N(Cc1ccccc1)c1ccccn1 ZINC000010814338 924398699 /nfs/dbraw/zinc/39/86/99/924398699.db2.gz QGGUVURFVYRRFS-CCEZHUSRSA-N 0 0 395.466 3.968 50 10 GHCARN O=C(Oc1cccc2c1C(=O)c1c(O)cccc1C2=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC000005003653 209122573 /nfs/dbraw/zinc/12/25/73/209122573.db2.gz RALBSMPFIOXCGQ-IAGOWNOFSA-N 0 0 384.387 3.877 50 10 GHCARN CN1C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N(C)C1=O ZINC000001093725 206352204 /nfs/dbraw/zinc/35/22/04/206352204.db2.gz CGVBZLZDFJIJJV-UHFFFAOYSA-N 0 0 376.821 3.518 50 10 GHCARN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCCC3)C2=O)cc1 ZINC000001168281 206363106 /nfs/dbraw/zinc/36/31/06/206363106.db2.gz BVKGGWAJMHHLKX-VKAVYKQESA-N 0 0 388.558 3.853 50 10 GHCARN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1nccs1 ZINC000001746235 206390749 /nfs/dbraw/zinc/39/07/49/206390749.db2.gz GJMPMDPGHXRWLZ-LUAWRHEFSA-N 0 0 395.556 3.825 50 10 GHCARN CC(C)CNc1cc(N2CCN(C)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006737908 206667821 /nfs/dbraw/zinc/66/78/21/206667821.db2.gz YQQGUSREJQAFLK-UHFFFAOYSA-N 0 0 390.487 3.859 50 10 GHCARN O=C1/C(=C/c2ccccc2Br)SC(=S)N1C[C@@H]1CCCO1 ZINC000009190101 206777415 /nfs/dbraw/zinc/77/74/15/206777415.db2.gz SDBQLZVMIJAPLA-LFTLCWSBSA-N 0 0 384.320 3.829 50 10 GHCARN CCOc1ccc2c(c1)SC1=NC(=O)/C(=C\c3ccc(O)c(OC)c3)C(=N)N21 ZINC000016996076 207081330 /nfs/dbraw/zinc/08/13/30/207081330.db2.gz KYMAQXFXYISFAV-PQJMHHKISA-N 0 0 395.440 3.669 50 10 GHCARN CC1=CC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4)cc3)C(=N)N2O1 ZINC000020235830 207185080 /nfs/dbraw/zinc/18/50/80/207185080.db2.gz SIRKQKRHQBOUCC-VXMHBOQLSA-N 0 0 389.411 3.595 50 10 GHCARN O=C1N=C(NC2CCCC2)SC1=Cc1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000033527903 207461699 /nfs/dbraw/zinc/46/16/99/207461699.db2.gz VLOUPNAOZCPADG-SFQUDFHCSA-N 0 0 386.477 3.698 50 10 GHCARN COc1ccc(N2CCCN(C(=O)COc3ccc(C(C)C)cc3)CC2)cc1 ZINC000084625161 208093318 /nfs/dbraw/zinc/09/33/18/208093318.db2.gz BZOGQFSABVBRKC-UHFFFAOYSA-N 0 0 382.504 3.936 50 10 GHCARN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCCc1c[nH]c2ccccc12 ZINC000100149204 208372515 /nfs/dbraw/zinc/37/25/15/208372515.db2.gz DRDCWIPPPVKSGW-UYRXBGFRSA-N 0 0 389.415 3.515 50 10 GHCARN CCOC(=O)c1c2cc(-c3ccncc3)ccn2c2c1C(=O)c1ccccc1C2=O ZINC000002694688 208505127 /nfs/dbraw/zinc/50/51/27/208505127.db2.gz HVEMSFNROHUWOD-UHFFFAOYSA-N 0 0 396.402 3.953 50 10 GHCARN Cc1cc(C(=O)NCCc2cccs2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000028435078 208947729 /nfs/dbraw/zinc/94/77/29/208947729.db2.gz LIPXHQXBSNQBQP-UHFFFAOYSA-N 0 0 382.485 3.899 50 10 GHCARN Cc1cccc(N2C(=N)S/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)c1 ZINC000006394039 136195087 /nfs/dbraw/zinc/19/50/87/136195087.db2.gz DHINOWMXPDITNE-IMQDXXIXSA-N 0 0 379.485 3.887 50 10 GHCARN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000170643825 136199180 /nfs/dbraw/zinc/19/91/80/136199180.db2.gz DTYHIVRZCDFKQL-UHFFFAOYSA-N 0 0 396.878 3.939 50 10 GHCARN CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(C(F)(F)F)cn3)cc2)C(=O)O1 ZINC000263639807 209082900 /nfs/dbraw/zinc/08/29/00/209082900.db2.gz JPRXHFIRQIUBKQ-UHFFFAOYSA-N 0 0 377.318 3.987 50 10 GHCARN COc1ccccc1/C=C1/SC(N2CCN(c3ccccc3C)CC2)=NC1=O ZINC000015401568 536981671 /nfs/dbraw/zinc/98/16/71/536981671.db2.gz CPNHNMWZEBXCHF-HMMYKYKNSA-N 0 0 393.512 3.796 50 10 GHCARN Cc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)cc1F ZINC000049003792 570261659 /nfs/dbraw/zinc/26/16/59/570261659.db2.gz NNYVBNNXWCQLEK-UHFFFAOYSA-N 0 0 386.448 3.523 50 10 GHCARN COc1ccc(N2C(=O)[C@@H]3CCCN3[C@H]2c2ccc(N(C)C)cc2)cc1Cl ZINC000085988213 570264817 /nfs/dbraw/zinc/26/48/17/570264817.db2.gz YNZPHGCURHXVIG-AZUAARDMSA-N 0 0 385.895 3.924 50 10 GHCARN CC(C)CCN1C(=O)/C(=C\N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000020648284 570280818 /nfs/dbraw/zinc/28/08/18/570280818.db2.gz NKTZCUQBVGRJRW-OBGWFSINSA-N 0 0 389.590 3.552 50 10 GHCARN CCOc1ccc(/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)c(OCC)c1 ZINC000004836789 570311381 /nfs/dbraw/zinc/31/13/81/570311381.db2.gz TYDMPYGBOAZXTF-SDKMPEEESA-N 0 0 390.505 3.564 50 10 GHCARN Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccccn1 ZINC000033702532 570400466 /nfs/dbraw/zinc/40/04/66/570400466.db2.gz SBAPFYCAOJYFDI-UNOMPAQXSA-N 0 0 390.418 3.721 50 10 GHCARN COc1cc([N+](=O)[O-])cc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)c1[O-] ZINC000005032747 570425190 /nfs/dbraw/zinc/42/51/90/570425190.db2.gz KXCWQDNTZPHYMT-QUCCMNQESA-N 0 0 389.496 3.538 50 10 GHCARN Cc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1cccc(F)c1 ZINC000005140225 570425318 /nfs/dbraw/zinc/42/53/18/570425318.db2.gz IDNJLCMOZQKWQH-WCCNDZKRSA-N 0 0 381.436 3.872 50 10 GHCARN COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(O)cc3O)c2C)cc1 ZINC000006534613 570469757 /nfs/dbraw/zinc/46/97/57/570469757.db2.gz KMJLJIUOISIIGY-UHFFFAOYSA-N 0 0 395.411 3.554 50 10 GHCARN Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccccc3[N+](=O)[O-])NC(=O)CCN21 ZINC000005201002 570504875 /nfs/dbraw/zinc/50/48/75/570504875.db2.gz DBZURUNILWFRFW-YUAYGMJFSA-N 0 0 377.444 3.930 50 10 GHCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(OC)cc3)C2=N)S1 ZINC000032964140 570546280 /nfs/dbraw/zinc/54/62/80/570546280.db2.gz JBHGPXUCKIAZBU-RXVRHCFJSA-N 0 0 393.472 3.905 50 10 GHCARN CN(C)c1ccc(CNC(=O)c2c[nH]nc2-c2cccc(Br)c2)cc1 ZINC000072329086 570675049 /nfs/dbraw/zinc/67/50/49/570675049.db2.gz BWRAMIJAVMRDJQ-UHFFFAOYSA-N 0 0 399.292 3.835 50 10 GHCARN Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N1CCCC1 ZINC000006973026 570724473 /nfs/dbraw/zinc/72/44/73/570724473.db2.gz QQWQNPRNKRIXOB-UHFFFAOYSA-N 0 0 380.311 3.564 50 10 GHCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)cc1 ZINC000013576681 570759728 /nfs/dbraw/zinc/75/97/28/570759728.db2.gz KYHGCBQIXPPJEM-ATVHPVEESA-N 0 0 398.509 3.931 50 10 GHCARN Cc1occc1C(=O)NN1C(=O)/C(=C/c2cccc3cccnc23)SC1=S ZINC000013722749 570780958 /nfs/dbraw/zinc/78/09/58/570780958.db2.gz DYOKHABZWOWJQC-GDNBJRDFSA-N 0 0 395.465 3.682 50 10 GHCARN CCOc1ccc(N(C(C)=O)C2=NC(=O)/C(=C\c3ccccc3O)S2)cc1 ZINC000005900156 570802096 /nfs/dbraw/zinc/80/20/96/570802096.db2.gz KZPQLWOUDZSXFG-LDADJPATSA-N 0 0 382.441 3.814 50 10 GHCARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)Cc1ccc(N(C)C)cc1 ZINC000007361635 570833758 /nfs/dbraw/zinc/83/37/58/570833758.db2.gz PTYLBPTZYHRVOR-UHFFFAOYSA-N 0 0 391.519 3.626 50 10 GHCARN O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc(O)c1 ZINC000004536615 570847157 /nfs/dbraw/zinc/84/71/57/570847157.db2.gz HUJJYUWTLOXNCP-RVDMUPIBSA-N 0 0 388.470 3.605 50 10 GHCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)ccc3O)C2=N)S1 ZINC000104379726 570900088 /nfs/dbraw/zinc/90/00/88/570900088.db2.gz LKJJDLWQRNREAT-DNKAYRMDSA-N 0 0 393.266 3.574 50 10 GHCARN CCOc1ccc(NC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)cc1 ZINC000004007420 838725638 /nfs/dbraw/zinc/72/56/38/838725638.db2.gz ZOVIZNAKTIEMAO-UHFFFAOYSA-N 0 0 386.407 3.695 50 10 GHCARN O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1N1CCOCC1 ZINC000013073951 847019820 /nfs/dbraw/zinc/01/98/20/847019820.db2.gz YITIJECGQUTUBP-WJDWOHSUSA-N 0 0 390.461 3.534 50 10 GHCARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1O ZINC000013400085 859909034 /nfs/dbraw/zinc/90/90/34/859909034.db2.gz JBGYKEOECVZLPT-AQTBWJFISA-N 0 0 379.412 3.668 50 10 GHCARN FC(F)(F)[C@H](NC1CCN(c2ccc3c(c2)OCO3)CC1)c1ccccn1 ZINC000952982553 904668784 /nfs/dbraw/zinc/66/87/84/904668784.db2.gz AWJLTYCOEIBZIV-GOSISDBHSA-N 0 0 379.382 3.672 50 10 GHCARN CCOC(=O)c1sc(N2N=C(C)/C(=C\c3ccc(OC)c(C)c3)C2=O)nc1C ZINC000001411434 206379604 /nfs/dbraw/zinc/37/96/04/206379604.db2.gz HPRZLVMJWDMSTF-XNTDXEJSSA-N 0 0 399.472 3.751 50 10 GHCARN CC(C)(C)c1ccc(C(=O)NN2C(=O)/C(=C/c3cccnc3)SC2=S)cc1 ZINC000001465943 206383428 /nfs/dbraw/zinc/38/34/28/206383428.db2.gz QMVISUGQWXMKKH-WJDWOHSUSA-N 0 0 397.525 3.925 50 10 GHCARN CCN(CC)C(=O)CCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S ZINC000001214413 206368371 /nfs/dbraw/zinc/36/83/71/206368371.db2.gz RWAQWSVRGLWVKX-SSZFMOIBSA-N 0 0 392.546 3.545 50 10 GHCARN CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@H]2CCC[C@@H]2C)cc1 ZINC000004043616 206500248 /nfs/dbraw/zinc/50/02/48/206500248.db2.gz LJSNHZXUZXRBAV-DCPHZVHLSA-N 0 0 385.508 3.893 50 10 GHCARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000004613944 206533700 /nfs/dbraw/zinc/53/37/00/206533700.db2.gz BWUJWCXKTWKYHJ-PKNBQFBNSA-N 0 0 397.386 3.843 50 10 GHCARN CCSC1=NSC2=NC(=O)/C(=C\c3ccc(N(CC)CC)cc3)C(=N)N12 ZINC000004761569 206553095 /nfs/dbraw/zinc/55/30/95/206553095.db2.gz KCZLWGGCVSRRMI-JCOXHHPGSA-N 0 0 387.534 3.863 50 10 GHCARN Nc1c(N2CCOCC2)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O ZINC000005485788 206614805 /nfs/dbraw/zinc/61/48/05/206614805.db2.gz BIGJLWBSAXWXLH-UHFFFAOYSA-N 0 0 399.450 3.624 50 10 GHCARN Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c2ccccc2n1 ZINC000010907191 206818124 /nfs/dbraw/zinc/81/81/24/206818124.db2.gz SAXQFZWKTSGBGU-UHFFFAOYSA-N 0 0 375.472 3.652 50 10 GHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccnc1SC(F)F ZINC000010907376 206818382 /nfs/dbraw/zinc/81/83/82/206818382.db2.gz QCUZXXRMZMEGMM-UHFFFAOYSA-N 0 0 393.459 3.505 50 10 GHCARN COc1ccc(-n2c(C)cc(C(=O)O[C@@H](C)C(=O)NC3CCCC3)c2C)cc1 ZINC000016047170 207071219 /nfs/dbraw/zinc/07/12/19/207071219.db2.gz SCBLTGNLUCXFHK-INIZCTEOSA-N 0 0 384.476 3.707 50 10 GHCARN CCCCc1n[nH]c2c1CN(C(=O)[C@@H]1Nc3ccccc3[C@H]3C=CC[C@H]31)CC2 ZINC000019742706 207156515 /nfs/dbraw/zinc/15/65/15/207156515.db2.gz DBIZCBPSBRHLTL-ZDPZECHZSA-N 0 0 376.504 3.791 50 10 GHCARN CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 ZINC000022665091 207260161 /nfs/dbraw/zinc/26/01/61/207260161.db2.gz BJJZYNWITXHWDN-HSZRJFAPSA-N 0 0 394.563 3.532 50 10 GHCARN COc1ccc(-n2c(C)cc(C(=O)NCCc3cn4ccccc4n3)c2C)cc1 ZINC000025529557 207303811 /nfs/dbraw/zinc/30/38/11/207303811.db2.gz YIKYJHXIAOWURM-UHFFFAOYSA-N 0 0 388.471 3.723 50 10 GHCARN CN(Cc1ccc(N2CCOCC2)cc1)CN1c2cccc3cccc(c23)C1=O ZINC000057761444 136153998 /nfs/dbraw/zinc/15/39/98/136153998.db2.gz FYUOVXXIPUIGPX-UHFFFAOYSA-N 0 0 387.483 3.726 50 10 GHCARN Cc1cc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])ccc1Br ZINC000328589796 452922234 /nfs/dbraw/zinc/92/22/34/452922234.db2.gz FQKUQDJAHLEEGP-UHFFFAOYSA-N 0 0 378.194 3.542 50 10 GHCARN CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@H]2CCC[C@H]2C)cc1 ZINC000239338895 520922302 /nfs/dbraw/zinc/92/23/02/520922302.db2.gz LJSNHZXUZXRBAV-WNYOCNMUSA-N 0 0 385.508 3.893 50 10 GHCARN COc1cc([C@H]2CC(=O)Nc3c(-c4ccccc4)nsc32)c(OC)c(O)c1O ZINC000035324566 570332752 /nfs/dbraw/zinc/33/27/52/570332752.db2.gz SDEBBUFMKHWZRE-GFCCVEGCSA-N 0 0 398.440 3.713 50 10 GHCARN COC(=O)c1ccc(Cn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)o1 ZINC000604404266 570361483 /nfs/dbraw/zinc/36/14/83/570361483.db2.gz AQXNWXCXCHXEQL-UHFFFAOYSA-N 0 0 385.375 3.641 50 10 biogenic GHCARN COc1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000004703752 570395702 /nfs/dbraw/zinc/39/57/02/570395702.db2.gz QQAYCGXQSZJAIT-UHFFFAOYSA-N 0 0 397.475 3.863 50 10 GHCARN O=C1/C(=C\c2ccc(-c3ccccc3F)o2)SC(=S)N1N1CCOCC1 ZINC000005032685 570401501 /nfs/dbraw/zinc/40/15/01/570401501.db2.gz TZBOMEYBGINIRV-LFIBNONCSA-N 0 0 390.461 3.534 50 10 GHCARN CC(=O)Oc1ccc(OC(C)=O)c2c1C(=O)c1c(Cl)ccc(Cl)c1C2=O ZINC000005119502 570420257 /nfs/dbraw/zinc/42/02/57/570420257.db2.gz FYXVCJBYGSXXSZ-UHFFFAOYSA-N 0 0 393.178 3.619 50 10 GHCARN O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000005172469 570491562 /nfs/dbraw/zinc/49/15/62/570491562.db2.gz KIOCLPDBZDWHPK-NVNXTCNLSA-N 0 0 386.410 3.729 50 10 GHCARN COc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000001009703 570546021 /nfs/dbraw/zinc/54/60/21/570546021.db2.gz RTGSTBRTQPTVOG-LGMDPLHJSA-N 0 0 398.509 3.925 50 10 GHCARN COc1ccc(N2CCOCC2)c(NC(=O)c2cccc(OCC(C)C)c2)c1 ZINC000041091651 570614920 /nfs/dbraw/zinc/61/49/20/570614920.db2.gz ZJRHWQKEGXGXFS-UHFFFAOYSA-N 0 0 384.476 3.819 50 10 GHCARN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCN2CCOCC2)C1=O ZINC000013787368 570683395 /nfs/dbraw/zinc/68/33/95/570683395.db2.gz ZGJZHZGPPWESHV-BEQKSFQUSA-N 0 0 388.558 3.556 50 10 GHCARN Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N1CCCCC1 ZINC000006973035 570724502 /nfs/dbraw/zinc/72/45/02/570724502.db2.gz BFSKGROPULQOQA-UHFFFAOYSA-N 0 0 394.338 3.954 50 10 GHCARN CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C1=O ZINC000004663553 570812850 /nfs/dbraw/zinc/81/28/50/570812850.db2.gz MVBMOGYBXFZDHM-GZTJUZNOSA-N 0 0 384.457 3.937 50 10 GHCARN O=C1N/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000003652538 570881364 /nfs/dbraw/zinc/88/13/64/570881364.db2.gz RQZAEBNTEOKUMW-PDGQHHTCSA-N 0 0 383.398 3.658 50 10 GHCARN CCc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000170625298 570882143 /nfs/dbraw/zinc/88/21/43/570882143.db2.gz ZXVWPQWIBGYAGE-UHFFFAOYSA-N 0 0 395.455 3.637 50 10 biogenic GHCARN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(OC)c1O ZINC000015659605 570901045 /nfs/dbraw/zinc/90/10/45/570901045.db2.gz OUYFSZNFCWTUFO-YBEGLDIGSA-N 0 0 387.482 3.811 50 10 GHCARN C[C@H](Sc1nccs1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000052914132 570956822 /nfs/dbraw/zinc/95/68/22/570956822.db2.gz CPPWCYXSNSIXKS-QMMMGPOBSA-N 0 0 387.408 3.628 50 10 GHCARN CCOC(=O)c1ccc(/N=N/N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000004765207 570970780 /nfs/dbraw/zinc/97/07/80/570970780.db2.gz JXDRIHQJJLBTSS-GHVJWSGMSA-N 0 0 393.447 3.796 50 10 GHCARN COc1cc(N(C)C[C@@H](O)c2ccccc2Br)cc(OC)c1OC ZINC000154270954 855253040 /nfs/dbraw/zinc/25/30/40/855253040.db2.gz LKOVKYLPRBCWMD-OAHLLOKOSA-N 0 0 396.281 3.645 50 10 GHCARN CC(=O)N[C@@H](CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1cccs1 ZINC000009975981 857388617 /nfs/dbraw/zinc/38/86/17/857388617.db2.gz WPQDJJVMWCTOQM-FQEVSTJZSA-N 0 0 399.560 3.964 50 10 GHCARN CCN1CC[NH+](Cc2c([O-])ccc3cc(-c4ccc(Cl)cc4)c(=O)oc32)CC1 ZINC000020605107 206297392 /nfs/dbraw/zinc/29/73/92/206297392.db2.gz WPLMWXVNWMUXQH-UHFFFAOYSA-N 0 0 398.890 3.957 50 10 GHCARN Cc1cccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(N(C)C)cc2)c1C ZINC000000641347 206310860 /nfs/dbraw/zinc/31/08/60/206310860.db2.gz ARXUYRBPDVWNPL-FQEVSTJZSA-N 0 0 394.544 3.801 50 10 GHCARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1cccc([N+](=O)[O-])c1 ZINC000000842821 206326402 /nfs/dbraw/zinc/32/64/02/206326402.db2.gz CSSPIWQNJFMNBN-LBPRGKRZSA-N 0 0 383.356 3.699 50 10 GHCARN COc1ccc([C@@H](NC(C)=O)c2cc(Cl)c3cccnc3c2O)cc1OC ZINC000000869263 206329498 /nfs/dbraw/zinc/32/94/98/206329498.db2.gz YJRRXUGZZNAGQS-GOSISDBHSA-N 0 0 386.835 3.837 50 10 GHCARN Oc1ccc(F)cc1C1=NN[C@H](c2cc(Br)cc3c2OCOC3)C1 ZINC000001504464 206384383 /nfs/dbraw/zinc/38/43/83/206384383.db2.gz SNLYBWVQESYLOP-HNNXBMFYSA-N 0 0 393.212 3.599 50 10 GHCARN COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000001196150 206366987 /nfs/dbraw/zinc/36/69/87/206366987.db2.gz SYGTWLXVSHCVNS-IAOKNECISA-N 0 0 396.270 3.845 50 10 GHCARN Cc1csc(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 ZINC000010368659 206390030 /nfs/dbraw/zinc/39/00/30/206390030.db2.gz NWNTVDMIAUUOPI-UHFFFAOYSA-N 0 0 394.477 3.958 50 10 GHCARN CCCc1cc(=O)oc2c1ccc1c2CN(c2ccc3c(c2)OCCO3)CO1 ZINC000002125227 206399706 /nfs/dbraw/zinc/39/97/06/206399706.db2.gz PGDMFWXMOVRGTQ-UHFFFAOYSA-N 0 0 379.412 3.873 50 10 biogenic GHCARN COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC000004644932 206536235 /nfs/dbraw/zinc/53/62/35/206536235.db2.gz OSYDTLGWZRWZDQ-UHFFFAOYSA-N 0 0 387.391 3.732 50 10 GHCARN O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N1CCCC1 ZINC000013541199 206979541 /nfs/dbraw/zinc/97/95/41/206979541.db2.gz MCYNEFYITFNDKG-QINSGFPZSA-N 0 0 394.949 3.944 50 10 GHCARN Cc1ccc(Cl)cc1N1CC[NH+](Cc2c([O-])ccc3ccc(=O)oc32)CC1 ZINC000015833983 207064095 /nfs/dbraw/zinc/06/40/95/207064095.db2.gz VGXORXAOJZGIFM-UHFFFAOYSA-N 0 0 384.863 3.783 50 10 GHCARN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000095410020 208179726 /nfs/dbraw/zinc/17/97/26/208179726.db2.gz WZVCJYLZPUTENK-UHFFFAOYSA-N 0 0 383.379 3.788 50 10 GHCARN COC(=O)c1ccccc1N=C(C)c1c(C)[n-]n(-c2ccc(OC)cc2)c1=O ZINC000100423113 208376712 /nfs/dbraw/zinc/37/67/12/208376712.db2.gz SYCCLQDFQXHPLK-UYRXBGFRSA-N 0 0 379.416 3.590 50 10 GHCARN O=C1C(=CNOCc2c(Cl)cccc2Cl)C=NN1c1cccc(Cl)n1 ZINC000100403051 208375357 /nfs/dbraw/zinc/37/53/57/208375357.db2.gz QCKWGEMRDYZMCH-NTMALXAHSA-N 0 0 397.649 3.980 50 10 GHCARN O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000054035272 132441373 /nfs/dbraw/zinc/44/13/73/132441373.db2.gz SRISLDMSLNAXJM-LJQANCHMSA-N 0 0 388.920 3.513 50 10 GHCARN CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000002277165 136193475 /nfs/dbraw/zinc/19/34/75/136193475.db2.gz XCCDPJCSSHMRJE-QGOAFFKASA-N 0 0 397.475 3.503 50 10 GHCARN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000004860514 570350160 /nfs/dbraw/zinc/35/01/60/570350160.db2.gz QOBLRJUBWCAVFE-LICLKQGHSA-N 0 0 377.396 3.601 50 10 GHCARN O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1Cc1ccccc1 ZINC000004706674 570396060 /nfs/dbraw/zinc/39/60/60/570396060.db2.gz RDWFEYQLUKDSEW-XMHGGMMESA-N 0 0 396.537 3.925 50 10 GHCARN Cc1cccc(OCCn2cccc2/C=C2/C(=N)N3C=CSC3=NC2=O)c1 ZINC000033157344 570403470 /nfs/dbraw/zinc/40/34/70/570403470.db2.gz LJYLGDUPAUKZNH-UXZQBJRPSA-N 0 0 378.457 3.652 50 10 GHCARN CN1CCN(Cc2c3c(ccc2O)occ3C(=O)c2ccc(Cl)cc2)CC1 ZINC000105090118 570424811 /nfs/dbraw/zinc/42/48/11/570424811.db2.gz PMSXGZGYATWSFW-UHFFFAOYSA-N 0 0 384.863 3.770 50 10 GHCARN COc1cc([N+](=O)[O-])cc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)c1[O-] ZINC000239338660 570429348 /nfs/dbraw/zinc/42/93/48/570429348.db2.gz KXCWQDNTZPHYMT-ICSRJNTNSA-N 0 0 389.496 3.538 50 10 GHCARN CCOC(=O)c1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1C ZINC000005174985 570493347 /nfs/dbraw/zinc/49/33/47/570493347.db2.gz HOWXDYKQCJIJEN-UHFFFAOYSA-N 0 0 395.484 3.995 50 10 GHCARN CC(=O)N(c1nc(C=C2SC(=S)NC2=O)cs1)c1cccc(C)c1C ZINC000007155233 570500936 /nfs/dbraw/zinc/50/09/36/570500936.db2.gz LTRWMBUCRUWZAZ-AUWJEWJLSA-N 0 0 389.527 3.933 50 10 GHCARN COc1ccc(N2CCN(c3nc4ccccc4c(N4CCCC4)n3)CC2)cc1 ZINC000041148354 570615541 /nfs/dbraw/zinc/61/55/41/570615541.db2.gz YDNRBCKZEDBEKT-UHFFFAOYSA-N 0 0 389.503 3.565 50 10 GHCARN CC1CCN(C(=O)C2=CN(c3ccccc3)c3ccccc3S2(=O)=O)CC1 ZINC000044169796 570632172 /nfs/dbraw/zinc/63/21/72/570632172.db2.gz NKQXRTIODYFICQ-UHFFFAOYSA-N 0 0 382.485 3.712 50 10 GHCARN CC(=O)N(c1nc(C=C2SC(=S)NC2=O)cs1)c1c(C)cccc1C ZINC000012872256 570725601 /nfs/dbraw/zinc/72/56/01/570725601.db2.gz BMWMSEPOPFOQCW-QPEQYQDCSA-N 0 0 389.527 3.933 50 10 GHCARN CCOc1cccc(/C=C2\C(=O)N(Cc3ccccc3)C(C)=C2C(=O)OC)c1O ZINC000006964920 570754052 /nfs/dbraw/zinc/75/40/52/570754052.db2.gz APIXKAVKDABYGH-AQTBWJFISA-N 0 0 393.439 3.664 50 10 GHCARN N=C1/C(=C/c2ccc3c(c2)OCO3)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000013785680 570790310 /nfs/dbraw/zinc/79/03/10/570790310.db2.gz QRZHBNVAYOVIBJ-FIZBDXDJSA-N 0 0 375.409 3.720 50 10 GHCARN Cc1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)n1-c1cccc(Cl)c1 ZINC000007181275 570811860 /nfs/dbraw/zinc/81/18/60/570811860.db2.gz KRLGYAWYPNYOFQ-UHFFFAOYSA-N 0 0 385.807 3.700 50 10 GHCARN COc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccccc3O)C2)cc1OC ZINC000004511408 570828338 /nfs/dbraw/zinc/82/83/38/570828338.db2.gz BNUGKBGGRRLPNI-KRWDZBQOSA-N 0 0 392.411 3.994 50 10 GHCARN COc1ccc(-c2cnc(SCC(=O)N3CCc4ccccc43)n2C)cc1 ZINC000007423599 570841108 /nfs/dbraw/zinc/84/11/08/570841108.db2.gz IKSVKGNUMFNQER-UHFFFAOYSA-N 0 0 379.485 3.777 50 10 GHCARN COCCn1c(-c2ccccc2)cnc1SCC(=O)N1CCc2ccccc21 ZINC000044085837 570862523 /nfs/dbraw/zinc/86/25/23/570862523.db2.gz GMENNUFYGOASKT-UHFFFAOYSA-N 0 0 393.512 3.878 50 10 GHCARN COCCCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)C(C(=O)OC)=C1C ZINC000004725092 570865548 /nfs/dbraw/zinc/86/55/48/570865548.db2.gz HXGKDQLLQXDWBF-RAXLEYEMSA-N 0 0 384.259 3.703 50 10 GHCARN COc1cccc(C2=NN(C(=O)CN3CCCCC3)[C@H](c3cccs3)C2)c1O ZINC000170615287 570872912 /nfs/dbraw/zinc/87/29/12/570872912.db2.gz ZQUQTJGLOCCPAM-KRWDZBQOSA-N 0 0 399.516 3.626 50 10 GHCARN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3F)c2C)C(C(=O)OC)=C1C ZINC000003641201 570879969 /nfs/dbraw/zinc/87/99/69/570879969.db2.gz NKISJYCIVQJXNT-ATVHPVEESA-N 0 0 382.435 3.926 50 10 GHCARN CC1CCN(CC(=O)Nc2cc3c(cc2Cl)C(=O)c2ccccc2C3=O)CC1 ZINC000013041054 859752564 /nfs/dbraw/zinc/75/25/64/859752564.db2.gz WMUDLVQEZZCOOP-UHFFFAOYSA-N 0 0 396.874 3.786 50 10 GHCARN O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1cn(C2CCC2)nn1 ZINC000606444912 859837306 /nfs/dbraw/zinc/83/73/06/859837306.db2.gz BUCABJLVOIOUPV-DHZHZOJOSA-N 0 0 387.365 3.676 50 10 GHCARN COc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)c1O ZINC000007885032 879711010 /nfs/dbraw/zinc/71/10/10/879711010.db2.gz DIFIAROMYGVNSN-OAQYLSRUSA-N 0 0 390.395 3.901 50 10 GHCARN O=C(NC1=NN(c2ccccc2)C(=O)C1=C1CCCCCN1)Nc1ccccc1 ZINC000102229801 891718884 /nfs/dbraw/zinc/71/88/84/891718884.db2.gz RLHHSDOYXJEXMJ-VHEBQXMUSA-N 0 0 389.459 3.586 50 10 GHCARN O=C1Nc2cc(Cl)ccc2/C1=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000006923026 918060557 /nfs/dbraw/zinc/06/05/57/918060557.db2.gz ABBBBGOOGBZIJM-OQLLNIDSSA-N 0 0 385.807 3.578 50 10 GHCARN COc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1O ZINC000015011630 210143857 /nfs/dbraw/zinc/14/38/57/210143857.db2.gz NPJIBUAAPPAVSB-OQLLNIDSSA-N 0 0 388.426 3.715 50 10 GHCARN COc1cccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c1O ZINC000013810297 210092332 /nfs/dbraw/zinc/09/23/32/210092332.db2.gz NCISEEOARLTXFS-CTLFBJNRSA-N 0 0 377.425 3.705 50 10 GHCARN CC1=NN(c2cccc(Br)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1 ZINC000013603110 210073002 /nfs/dbraw/zinc/07/30/02/210073002.db2.gz WZYRBTSOXCVFRF-JYRVWZFOSA-N 0 0 376.166 3.756 50 10 GHCARN CCN1C(=O)C(=CNc2ccccc2-c2ccccc2)C(=O)N(CC)C1=S ZINC000005557298 209601613 /nfs/dbraw/zinc/60/16/13/209601613.db2.gz XVBYJEPSFZMOSK-UHFFFAOYSA-N 0 0 379.485 3.645 50 10 GHCARN Cc1cc(C(=O)CSc2nncn2C(C)C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000004405008 209484280 /nfs/dbraw/zinc/48/42/80/209484280.db2.gz WAVXQPBWYRPTDG-UHFFFAOYSA-N 0 0 398.488 3.970 50 10 GHCARN Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000002416850 209363155 /nfs/dbraw/zinc/36/31/55/209363155.db2.gz HVRBTWWJGBRCAZ-IEERDHFISA-N 0 0 383.864 3.997 50 10 GHCARN COC(=O)CN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S ZINC000001237727 209318012 /nfs/dbraw/zinc/31/80/12/209318012.db2.gz YHGBWGBIXILYIW-BOPFTXTBSA-N 0 0 399.493 3.640 50 10 GHCARN COC(=O)c1cccc(N2C(=O)c3ccc(Oc4ccc(N)cc4)cc3C2=O)c1 ZINC000001066908 209294863 /nfs/dbraw/zinc/29/48/63/209294863.db2.gz RSNZUSAICBITNA-UHFFFAOYSA-N 0 0 388.379 3.648 50 10 GHCARN CCC(CC)COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(N(C)C)cc1 ZINC000000828468 209270213 /nfs/dbraw/zinc/27/02/13/209270213.db2.gz NUXNRTFTHROJJF-GOSISDBHSA-N 0 0 375.538 3.525 50 10 GHCARN COc1ccc(CC(=O)c2ccc([O-])c(C[N@@H+]3CCCC[C@@H]3C)c2O)cc1OC ZINC000023135318 209238231 /nfs/dbraw/zinc/23/82/31/209238231.db2.gz DLJDTWLGKBTGRS-HNNXBMFYSA-N 0 0 399.487 3.915 50 10 biogenic GHCARN CN(C)c1ccc(/C=C2/NC(=S)N(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000100252855 211603584 /nfs/dbraw/zinc/60/35/84/211603584.db2.gz GNUUTPCKXKIRIN-LFIBNONCSA-N 0 0 389.427 3.616 50 10 GHCARN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C/c1cccc(OC)c1 ZINC000005825914 211570462 /nfs/dbraw/zinc/57/04/62/211570462.db2.gz RPMNYSYZCTVEFJ-HMMYKYKNSA-N 0 0 377.440 3.611 50 10 GHCARN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000089904571 211185520 /nfs/dbraw/zinc/18/55/20/211185520.db2.gz FNINFASGRZVDQQ-CVEARBPZSA-N 0 0 397.475 3.522 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3cc4cc(C)ccc4nc3C)CC2)cc1 ZINC000020321334 210325967 /nfs/dbraw/zinc/32/59/67/210325967.db2.gz MRICIZJQTSTVBV-UHFFFAOYSA-N 0 0 375.472 3.823 50 10 GHCARN CCC(Nc1ccc(OC)cc1)=C1C(=O)N(c2ccccc2)N=C1CC(=O)OC ZINC000019894231 210306521 /nfs/dbraw/zinc/30/65/21/210306521.db2.gz JGHMNQJURHIIEG-DYTRJAOYSA-N 0 0 393.443 3.737 50 10 GHCARN CCOC(=O)[C@@H]1CCCCN1Cc1cc(-c2cc(OC)ccc2OC)ccc1O ZINC000012127790 221155946 /nfs/dbraw/zinc/15/59/46/221155946.db2.gz WJHNBSWMDAJKBB-FQEVSTJZSA-N 0 0 399.487 3.994 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3ccc(-c4ccsc4)nc3)CC2)cc1 ZINC000065173686 136159960 /nfs/dbraw/zinc/15/99/60/136159960.db2.gz NIDKCEDRNQBXBQ-UHFFFAOYSA-N 0 0 379.485 3.781 50 10 GHCARN COc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1Cl ZINC000013647255 136201240 /nfs/dbraw/zinc/20/12/40/136201240.db2.gz FJODAQUVRKSGMM-UHFFFAOYSA-N 0 0 394.924 3.817 50 10 GHCARN O=C(c1ccc(F)cc1)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000408822861 534705863 /nfs/dbraw/zinc/70/58/63/534705863.db2.gz ZJOYEKLXKGGGPZ-OVCLIPMQSA-N 0 0 387.413 3.596 50 10 GHCARN COc1ccc(N2CCN(C(=O)/C=C\c3cc(C)n(C4CC4)c3C)CC2)cc1 ZINC000096871185 536675154 /nfs/dbraw/zinc/67/51/54/536675154.db2.gz IGTUKELSQJXNFQ-WCIBSUBMSA-N 0 0 379.504 3.810 50 10 GHCARN CCNC(=O)COc1cccc(NC(=O)c2sccc2-n2c(C)ccc2C)c1 ZINC000048249019 570223390 /nfs/dbraw/zinc/22/33/90/570223390.db2.gz VYKKZBVJJXJHIB-UHFFFAOYSA-N 0 0 397.500 3.923 50 10 GHCARN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(N2CCOC2=O)cc1 ZINC000048299109 570233816 /nfs/dbraw/zinc/23/38/16/570233816.db2.gz DDQJXSNLFHLWFW-UHFFFAOYSA-N 0 0 381.476 3.760 50 10 GHCARN CCc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccn3)C2=O)cc1 ZINC000022171036 570306839 /nfs/dbraw/zinc/30/68/39/570306839.db2.gz VTJZPPYYGFPRCQ-DTQAZKPQSA-N 0 0 397.525 3.874 50 10 GHCARN Cc1cc(C(=O)COC(=O)c2ccc(CO)cc2)c(C)n1-c1ccc(F)cc1 ZINC000004895215 570358298 /nfs/dbraw/zinc/35/82/98/570358298.db2.gz PVOYLMHOSNOULA-UHFFFAOYSA-N 0 0 381.403 3.765 50 10 GHCARN COc1ccc2c3ccc(OCC(=O)N4CCC[C@H](C)C4)cc3oc(=O)c2c1 ZINC000004196974 570362656 /nfs/dbraw/zinc/36/26/56/570362656.db2.gz PZXITPODVAZOPN-AWEZNQCLSA-N 0 0 381.428 3.592 50 10 GHCARN COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc([N+](=O)[O-])o3)c2C)cc1 ZINC000006329546 570392305 /nfs/dbraw/zinc/39/23/05/570392305.db2.gz WEOMHQBGLANZHE-UHFFFAOYSA-N 0 0 398.371 3.644 50 10 GHCARN CC(C)SC1=NSC2=NC(=O)/C(=C\c3coc4ccccc4c3=O)C(=N)N12 ZINC000005035169 570403631 /nfs/dbraw/zinc/40/36/31/570403631.db2.gz VJAUGLKJGNUGCZ-AQINLTQESA-N 0 0 398.469 3.511 50 10 GHCARN CN(C)c1ccc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000006570614 570480239 /nfs/dbraw/zinc/48/02/39/570480239.db2.gz NQKFTYTUUBVDFD-UHFFFAOYSA-N 0 0 392.830 3.903 50 10 GHCARN Cc1cccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1C ZINC000006747959 570492148 /nfs/dbraw/zinc/49/21/48/570492148.db2.gz QHZKRNBCAAROPO-JOCHJYFZSA-N 0 0 396.531 3.956 50 10 GHCARN O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)Oc3ccc(Cl)cc3)ccc21 ZINC000005234077 570523703 /nfs/dbraw/zinc/52/37/03/570523703.db2.gz ASDGQDRDSKGMIQ-UHFFFAOYSA-N 0 0 398.823 3.883 50 10 GHCARN Cc1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC000006886900 570681720 /nfs/dbraw/zinc/68/17/20/570681720.db2.gz ZZJZWOGDPCVWHN-UHFFFAOYSA-N 0 0 399.402 3.566 50 10 GHCARN Cc1[nH]nc2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)Nc1ccccc1)=C(C)N2 ZINC000072332688 570706050 /nfs/dbraw/zinc/70/60/50/570706050.db2.gz HTTCYNACRGLMIY-IBGZPJMESA-N 0 0 376.416 3.599 50 10 GHCARN O=C1c2ccccc2N[C@@H](c2ccc(N3CCOCC3)cc2)N1Cc1ccco1 ZINC000007112543 570792171 /nfs/dbraw/zinc/79/21/71/570792171.db2.gz CWXMAWDRNRRSIC-JOCHJYFZSA-N 0 0 389.455 3.883 50 10 GHCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(Br)cc3)C2=N)S1 ZINC000004508880 570824510 /nfs/dbraw/zinc/82/45/10/570824510.db2.gz MHIUXDBGGMTISY-ZWGDPFMXSA-N 0 0 377.267 3.868 50 10 GHCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc2ccccc2oc1=O ZINC000005704897 570836376 /nfs/dbraw/zinc/83/63/76/570836376.db2.gz YMYHLPITHDTPRY-UHFFFAOYSA-N 0 0 395.370 3.821 50 10 GHCARN Cc1cc(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)c(C)n1-c1ccccn1 ZINC000102757253 570862064 /nfs/dbraw/zinc/86/20/64/570862064.db2.gz JYSDEMDENYFPRJ-UHFFFAOYSA-N 0 0 394.450 3.717 50 10 GHCARN Cc1cc(C(=O)CSc2nnc(C)s2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000003389245 570864424 /nfs/dbraw/zinc/86/44/24/570864424.db2.gz MFXWVLYUMPVZJL-UHFFFAOYSA-N 0 0 387.486 3.958 50 10 GHCARN CCOC(=O)CCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](CC)C2 ZINC000022330319 570886310 /nfs/dbraw/zinc/88/63/10/570886310.db2.gz MBHHABYHJNLYCS-GFCCVEGCSA-N 0 0 381.494 3.722 50 10 GHCARN COCCN(CC(=O)N1c2ccccc2CC[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000078969918 839937185 /nfs/dbraw/zinc/93/71/85/839937185.db2.gz XPGASGNTIACYOW-QGZVFWFLSA-N 0 0 398.503 3.525 50 10 GHCARN Cc1cc(C(=O)N2CC[C@H](OCc3ccccn3)C2)c(C)n1-c1ccccc1 ZINC000079110763 849154387 /nfs/dbraw/zinc/15/43/87/849154387.db2.gz BQBJDMMQFMEZLB-NRFANRHFSA-N 0 0 375.472 3.920 50 10 GHCARN COCCn1c(C)cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c1C ZINC000003330056 862344105 /nfs/dbraw/zinc/34/41/05/862344105.db2.gz LYYOTYZVQULGEJ-MHWRWJLKSA-N 0 0 376.503 3.746 50 10 GHCARN COc1ccc(C=C2SC(NC3CCCC3)=NC2=O)cc1Br ZINC000096121205 860789986 /nfs/dbraw/zinc/78/99/86/860789986.db2.gz BENBCEGWFYJPGB-NTEUORMPSA-N 0 0 381.295 3.960 50 10 GHCARN CC[C@H](C)N1C(=O)C(=Cc2c(C)[nH]c3ccc([N+](=O)[O-])cc32)C(=O)NC1=S ZINC000038166678 910898206 /nfs/dbraw/zinc/89/82/06/910898206.db2.gz IBDSBOTUXHCPGR-JNNKLVPLSA-N 0 0 386.433 3.650 50 10 GHCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccccn2)C1=O ZINC000016711602 210195172 /nfs/dbraw/zinc/19/51/72/210195172.db2.gz TVGVNRGGWHBBPF-MHMBTURYSA-N 0 0 395.509 3.868 50 10 GHCARN O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1ccccc1O ZINC000013547861 210067090 /nfs/dbraw/zinc/06/70/90/210067090.db2.gz XMDVTBUQVKQDLO-PDGQHHTCSA-N 0 0 399.903 3.838 50 10 GHCARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 ZINC000012413422 209951213 /nfs/dbraw/zinc/95/12/13/209951213.db2.gz AYWWLBQSADLZIQ-AQTBWJFISA-N 0 0 393.439 3.971 50 10 GHCARN CNC(=O)c1ccc(/C=C/C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000036396027 209838920 /nfs/dbraw/zinc/83/89/20/209838920.db2.gz REGZAZYXAOXQTF-XNTDXEJSSA-N 0 0 391.515 3.708 50 10 GHCARN COc1ccc([C@@H](NC(=O)C(C)C)c2ccc3cccnc3c2O)cc1OC ZINC000002873351 209393609 /nfs/dbraw/zinc/39/36/09/209393609.db2.gz GUGKZZCJXZJTGZ-LJQANCHMSA-N 0 0 380.444 3.819 50 10 biogenic GHCARN COc1ccc(N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000002618129 209371486 /nfs/dbraw/zinc/37/14/86/209371486.db2.gz RORUBICXZYXRER-UHFFFAOYSA-N 0 0 377.488 3.848 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000002639572 209374249 /nfs/dbraw/zinc/37/42/49/209374249.db2.gz VGNJCSMWPZUBNL-UHFFFAOYSA-N 0 0 380.366 3.556 50 10 GHCARN Cc1cc(C(=O)OCC(=O)NCCCc2ccccc2)c(C)n1-c1ccccc1 ZINC000002628973 209372113 /nfs/dbraw/zinc/37/21/13/209372113.db2.gz LXFHYCFSNTWPNG-UHFFFAOYSA-N 0 0 390.483 4.000 50 10 GHCARN CC(C)c1nnc(NC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)s1 ZINC000001770293 209339002 /nfs/dbraw/zinc/33/90/02/209339002.db2.gz AAULNLGHDSELTK-UHFFFAOYSA-N 0 0 379.441 3.979 50 10 GHCARN O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(F)c1 ZINC000001311676 209319965 /nfs/dbraw/zinc/31/99/65/209319965.db2.gz OGWMDOAMSCFISX-JYRVWZFOSA-N 0 0 378.475 3.727 50 10 GHCARN O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C/c1ccc(O)cc1 ZINC000001471539 209330754 /nfs/dbraw/zinc/33/07/54/209330754.db2.gz QGYVLCDPPVZLAJ-QGOAFFKASA-N 0 0 399.903 3.838 50 10 GHCARN O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000001416617 209327391 /nfs/dbraw/zinc/32/73/91/209327391.db2.gz SGIUWTRYBWUMJV-VIZOYTHASA-N 0 0 386.410 3.729 50 10 GHCARN O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000001193578 209312270 /nfs/dbraw/zinc/31/22/70/209312270.db2.gz VLFCBYOIXMRLLM-CHHVJCJISA-N 0 0 386.410 3.729 50 10 GHCARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(N(C)C)cc2)cc1Cl ZINC000001192181 209311461 /nfs/dbraw/zinc/31/14/61/209311461.db2.gz XFBPFLOVVPXCLR-LJQANCHMSA-N 0 0 398.894 3.981 50 10 GHCARN CCN1C(=O)/C(=C/c2ccc(I)cc2)SC1=S ZINC000001188887 209311403 /nfs/dbraw/zinc/31/14/03/209311403.db2.gz XSRWVUMFQOOZHV-YFHOEESVSA-N 0 0 375.256 3.512 50 10 GHCARN COC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)SC2=S)cc1 ZINC000001153620 209307782 /nfs/dbraw/zinc/30/77/82/209307782.db2.gz WEPNSRSPCBRLQI-LFIBNONCSA-N 0 0 385.466 3.888 50 10 GHCARN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1 ZINC000001006052 209288698 /nfs/dbraw/zinc/28/86/98/209288698.db2.gz NCWYDSBHJBOROP-LFIBNONCSA-N 0 0 376.478 3.521 50 10 GHCARN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000000898004 209278240 /nfs/dbraw/zinc/27/82/40/209278240.db2.gz RHNCHLDEYVDGHB-BOPFTXTBSA-N 0 0 382.347 3.611 50 10 GHCARN CC1=CC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccco4)c(Cl)c3)C(=N)N2O1 ZINC000020236733 210324276 /nfs/dbraw/zinc/32/42/76/210324276.db2.gz BDJSVBFQSBLXSV-GYJAIJNQSA-N 0 0 397.774 3.603 50 10 GHCARN COC(=O)C1=CN(c2ccc(F)c(Cl)c2)c2ccc(F)cc2S1(=O)=O ZINC000064979250 136158452 /nfs/dbraw/zinc/15/84/52/136158452.db2.gz ILGOYSIVOUZYSR-UHFFFAOYSA-N 0 0 385.775 3.558 50 10 GHCARN C[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(-c4ccncc4)n[nH]3)cc2)C1 ZINC000097515061 136188330 /nfs/dbraw/zinc/18/83/30/136188330.db2.gz NEWXGOVAJWLDEM-MRXNPFEDSA-N 0 0 375.476 3.638 50 10 GHCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000010962260 136199507 /nfs/dbraw/zinc/19/95/07/136199507.db2.gz JSPZFOIPYABQBR-UHFFFAOYSA-N 0 0 383.448 3.623 50 10 GHCARN CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)OC4(CCCC4)OC3=O)o2)cc1 ZINC000000857528 570221249 /nfs/dbraw/zinc/22/12/49/570221249.db2.gz TZDKIENAAMGZKQ-UHFFFAOYSA-N 0 0 396.395 3.877 50 10 GHCARN COc1ccccc1-n1c(/C=C/c2ccc(O)c(O)c2)nc2ccccc2c1=O ZINC000004826402 570294672 /nfs/dbraw/zinc/29/46/72/570294672.db2.gz OTKDKQJFWIGZLU-ACCUITESSA-N 0 0 386.407 3.976 50 10 GHCARN [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cc(Cl)cc(Br)c2[O-])N1 ZINC000575442886 570313145 /nfs/dbraw/zinc/31/31/45/570313145.db2.gz DEECMNORASODAB-ZDUSSCGKSA-N 0 0 392.644 3.655 50 10 GHCARN COc1ccc(N2C(=O)c3ccccc3N(C)[C@H]2c2ccc(O)c(O)c2)cc1 ZINC000023624191 570367234 /nfs/dbraw/zinc/36/72/34/570367234.db2.gz FRHZKVYYSAFBHY-OAQYLSRUSA-N 0 0 376.412 3.902 50 10 GHCARN COc1ccc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000006320092 570378567 /nfs/dbraw/zinc/37/85/67/570378567.db2.gz JYKGZFJXSXDPIK-UHFFFAOYSA-N 0 0 381.354 3.949 50 10 GHCARN CCN1C(=O)/C(=C\c2ccc(OC)c(Cn3nc(C)cc3C)c2)SC1=S ZINC000004652235 570389716 /nfs/dbraw/zinc/38/97/16/570389716.db2.gz SBBZWBDLMGBQNH-LICLKQGHSA-N 0 0 387.530 3.778 50 10 GHCARN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000220982078 570391102 /nfs/dbraw/zinc/39/11/02/570391102.db2.gz UGTLGKQEDFSDOE-VIZOYTHASA-N 0 0 386.410 3.729 50 10 GHCARN Cc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1C ZINC000010963020 570398049 /nfs/dbraw/zinc/39/80/49/570398049.db2.gz UGZSKTDUTIXVSU-UHFFFAOYSA-N 0 0 393.531 3.682 50 10 GHCARN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2nnc3n2CCCCC3)c1 ZINC000024923503 570398084 /nfs/dbraw/zinc/39/80/84/570398084.db2.gz NFPYJXRJEJFRSR-UHFFFAOYSA-N 0 0 397.910 3.995 50 10 GHCARN Cc1cc(/C=C/C(=O)N2CCC3(CC2)OCCO3)c(C)n1-c1ccc(C)cc1 ZINC000024997017 570402817 /nfs/dbraw/zinc/40/28/17/570402817.db2.gz GCCGOBBMCYMTGH-RMKNXTFCSA-N 0 0 380.488 3.781 50 10 GHCARN Cc1cc(C(=O)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccccc1F ZINC000053845817 570413095 /nfs/dbraw/zinc/41/30/95/570413095.db2.gz BSLLPRRPZFOSMU-UHFFFAOYSA-N 0 0 375.403 3.895 50 10 GHCARN O=C1/C(=C/c2cnn(Cc3ccccc3)c2)SC(=S)N1c1cccnc1 ZINC000027121827 570431707 /nfs/dbraw/zinc/43/17/07/570431707.db2.gz KJCNUPTVPIULGG-MFOYZWKCSA-N 0 0 378.482 3.732 50 10 GHCARN Cc1cc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1 ZINC000006590587 570488000 /nfs/dbraw/zinc/48/80/00/570488000.db2.gz LOWQTASQRISBQC-UHFFFAOYSA-N 0 0 393.399 3.798 50 10 GHCARN CC(=O)N(c1nc(C=C2SC(=S)NC2=O)cs1)c1ccc(C)c(C)c1 ZINC000007155228 570500872 /nfs/dbraw/zinc/50/08/72/570500872.db2.gz GHHAYTOMNTZSAQ-AUWJEWJLSA-N 0 0 389.527 3.933 50 10 GHCARN CCN(CC)c1ccc(/C=c2\sc3nnc(-c4ccc(C)cc4)n3c2=O)cc1 ZINC000012411724 570656093 /nfs/dbraw/zinc/65/60/93/570656093.db2.gz PNCQPGNSQYOCGR-RGEXLXHISA-N 0 0 390.512 3.520 50 10 GHCARN COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1O ZINC000013685234 570668042 /nfs/dbraw/zinc/66/80/42/570668042.db2.gz QCEMVOFCBJNZBB-APSNUPSMSA-N 0 0 387.438 3.535 50 10 GHCARN CC1(C)[C@@H]2CC[C@H]1[C@@H](O[C@@H]1CC(=O)Cc3c(O)c4cccc(O)c4c(O)c31)C2 ZINC000004568189 570728664 /nfs/dbraw/zinc/72/86/64/570728664.db2.gz NLLZPZMJMSXUEY-CELLPKHUSA-N 0 0 382.456 3.576 50 10 GHCARN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCc1c[nH]cn1 ZINC000101434637 570823051 /nfs/dbraw/zinc/82/30/51/570823051.db2.gz CUVBLZQQQFFQDE-AQTBWJFISA-N 0 0 394.504 3.628 50 10 GHCARN CN(c1ccc(CNC(=O)N2CCC3(CC2)OCCO3)cc1)C1CCCCC1 ZINC000065485669 570824328 /nfs/dbraw/zinc/82/43/28/570824328.db2.gz DFPCQKPVXWAESC-UHFFFAOYSA-N 0 0 387.524 3.504 50 10 GHCARN O=C1N[C@H](c2ccccc2O)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000004525914 570842986 /nfs/dbraw/zinc/84/29/86/570842986.db2.gz NWSSCIMIMOARNE-FQEVSTJZSA-N 0 0 391.496 3.866 50 10 GHCARN COc1ccc([N+](=O)[O-])cc1NC1(c2ccccc2)C(=O)c2ccccc2C1=O ZINC000007499996 570857710 /nfs/dbraw/zinc/85/77/10/570857710.db2.gz WRCFKIRXVAGJLG-UHFFFAOYSA-N 0 0 388.379 3.990 50 10 GHCARN CCOC(=O)[C@H]1CCCN(C2=NC(=O)/C(=C\c3ccc(Cl)cc3)S2)C1 ZINC000004580515 570911044 /nfs/dbraw/zinc/91/10/44/570911044.db2.gz LLFQUIJEQNOOTM-LERPTODRSA-N 0 0 378.881 3.585 50 10 GHCARN COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)C3CC3)CC2)cc1 ZINC000023181585 570944046 /nfs/dbraw/zinc/94/40/46/570944046.db2.gz UWNHEZYWERCZFZ-HRAATJIYSA-N 0 0 399.560 3.535 50 10 GHCARN O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(F)cc1 ZINC000001266351 570951296 /nfs/dbraw/zinc/95/12/96/570951296.db2.gz PIPCBZHWCYUHRE-JYRVWZFOSA-N 0 0 378.475 3.727 50 10 GHCARN CC1=NN(c2ccc(C(=O)OC(C)C)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000107813416 570976384 /nfs/dbraw/zinc/97/63/84/570976384.db2.gz DPVWHQVYVQUHIV-XDHOZWIPSA-N 0 0 393.399 3.966 50 10 GHCARN CCN(CC)C(=O)CCCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S ZINC000004795541 570993751 /nfs/dbraw/zinc/99/37/51/570993751.db2.gz RWAQWSVRGLWVKX-DTQAZKPQSA-N 0 0 392.546 3.545 50 10 GHCARN COc1cc2c(cc1OC)CN(Cc1cc(Br)ccc1O)CC2 ZINC000004988964 843231847 /nfs/dbraw/zinc/23/18/47/843231847.db2.gz OXFXWAARWGCHIQ-UHFFFAOYSA-N 0 0 378.266 3.730 50 10 GHCARN O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(Cl)c1 ZINC000002892707 847939124 /nfs/dbraw/zinc/93/91/24/847939124.db2.gz IHRQOGSIMWPDTR-ZROIWOOFSA-N 0 0 376.199 3.572 50 10 GHCARN COc1ccc(N2CCN(Cc3nc(-c4ccc(SC)cc4)no3)CC2)cc1 ZINC000057427653 862089185 /nfs/dbraw/zinc/08/91/85/862089185.db2.gz VVTUMQTXTBJYID-UHFFFAOYSA-N 0 0 396.516 3.789 50 10 GHCARN Cc1cccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1 ZINC000004256350 862909300 /nfs/dbraw/zinc/90/93/00/862909300.db2.gz VRJQWEDTMKZNTD-UHFFFAOYSA-N 0 0 386.363 3.931 50 10 GHCARN CC[C@H](C)N1C(=O)C(=Cc2c(C)[nH]c3ccc([N+](=O)[O-])cc32)C(=O)NC1=S ZINC000001152566 918471033 /nfs/dbraw/zinc/47/10/33/918471033.db2.gz IBDSBOTUXHCPGR-PFMRQGHBSA-N 0 0 386.433 3.650 50 10 GHCARN CCOc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1OCC ZINC000016212901 210187560 /nfs/dbraw/zinc/18/75/60/210187560.db2.gz QBFFZLBCKAKVKX-DTVMNVQKSA-N 0 0 390.505 3.564 50 10 GHCARN CCCOc1c(Br)cc(C=C2SC(=S)NC2=O)cc1OC ZINC000015912598 210179197 /nfs/dbraw/zinc/17/91/97/210179197.db2.gz BFRADXOVLZVHPQ-XFFZJAGNSA-N 0 0 388.308 3.735 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)c(C)c4)n[nH]3)CC2)cc1 ZINC000015680553 210162412 /nfs/dbraw/zinc/16/24/12/210162412.db2.gz JNDCWOATXUTNGR-UHFFFAOYSA-N 0 0 390.487 3.665 50 10 GHCARN O=C1/C(=C/c2ccc3ccccc3c2)SC(=S)N1CCCN1CCOCC1 ZINC000014197677 210108851 /nfs/dbraw/zinc/10/88/51/210108851.db2.gz HNSYUEQDXWPHBL-CYVLTUHYSA-N 0 0 398.553 3.763 50 10 GHCARN COc1ccc([C@H](c2ccc3c(OC)cccc3c2O)N2CCOCC2)cc1 ZINC000013656365 210075493 /nfs/dbraw/zinc/07/54/93/210075493.db2.gz WYADEYJOPGIMNZ-JOCHJYFZSA-N 0 0 379.456 3.984 50 10 GHCARN CC(C)NC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000011647722 209877845 /nfs/dbraw/zinc/87/78/45/209877845.db2.gz KAVXCELDVQTFAC-UHFFFAOYSA-N 0 0 398.488 3.518 50 10 GHCARN C[C@H]1C[C@H](C)CN(c2cc(NCCO)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000006737962 209676862 /nfs/dbraw/zinc/67/68/62/209676862.db2.gz QUUUEZCRVPIMDV-KBPBESRZSA-N 0 0 391.471 3.926 50 10 GHCARN COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000001022095 209288682 /nfs/dbraw/zinc/28/86/82/209288682.db2.gz HPUGWKNZOKZEFC-WJDWOHSUSA-N 0 0 384.482 3.550 50 10 GHCARN COc1ccc(-c2cnc(SCC(=O)Nc3cccc(OC)c3)n2C)cc1 ZINC000000881702 209276486 /nfs/dbraw/zinc/27/64/86/209276486.db2.gz OCTRLPXVIPMDSD-UHFFFAOYSA-N 0 0 383.473 3.835 50 10 GHCARN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1 ZINC000000634403 209252864 /nfs/dbraw/zinc/25/28/64/209252864.db2.gz ZMUXXDIRZPCJKX-HKWRFOASSA-N 0 0 377.440 3.611 50 10 GHCARN O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc(F)c1 ZINC000004745492 211549124 /nfs/dbraw/zinc/54/91/24/211549124.db2.gz FJHWEBGMZTZFAP-GXDHUFHOSA-N 0 0 376.434 3.649 50 10 GHCARN CC1=NN(c2ccccc2)C(=O)/C1=C1\C(=O)Nc2ccc(Br)cc21 ZINC000100164569 211383648 /nfs/dbraw/zinc/38/36/48/211383648.db2.gz OANRGMPHFRLJNE-NXVVXOECSA-N 0 0 382.217 3.578 50 10 GHCARN O=C(NCc1ccccc1O)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000089857595 211186199 /nfs/dbraw/zinc/18/61/99/211186199.db2.gz KHWSWRDHZZTZPT-UHFFFAOYSA-N 0 0 376.441 3.631 50 10 GHCARN Cn1ccc(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cc1=O ZINC000053709522 210875626 /nfs/dbraw/zinc/87/56/26/210875626.db2.gz KDKZSWNKIRLLRW-GOSISDBHSA-N 0 0 381.501 3.720 50 10 GHCARN COc1ccc(OC)c(NC(=O)CSc2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000025053642 210476287 /nfs/dbraw/zinc/47/62/87/210476287.db2.gz JNNBRRQBGWVFAN-UHFFFAOYSA-N 0 0 379.388 3.589 50 10 GHCARN CCN1C(=O)/C(=C\C=C2\SCCN2CCc2ccccc2)SC1=S ZINC000019912028 210307451 /nfs/dbraw/zinc/30/74/51/210307451.db2.gz VKSRNPAPESYEEW-BVXMOGEKSA-N 0 0 376.572 3.883 50 10 GHCARN Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1-c1ccc(F)cc1 ZINC000008726009 221052620 /nfs/dbraw/zinc/05/26/20/221052620.db2.gz OKXIHPFMZMVQTC-UHFFFAOYSA-N 0 0 394.233 3.980 50 10 GHCARN CCc1c(C)c2ccc([O-])c(C[NH+]3CCN(c4ccc(F)cc4)CC3)c2oc1=O ZINC000058104625 136154312 /nfs/dbraw/zinc/15/43/12/136154312.db2.gz LFEDNUZCZMMIRE-UHFFFAOYSA-N 0 0 396.462 3.831 50 10 GHCARN CCOc1ccccc1OCCCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000058341513 136155247 /nfs/dbraw/zinc/15/52/47/136155247.db2.gz GZQWSGWDGWNKJY-UHFFFAOYSA-N 0 0 382.504 3.943 50 10 GHCARN COc1cccc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)c1 ZINC000006094106 570242509 /nfs/dbraw/zinc/24/25/09/570242509.db2.gz JTKCTCRTOBRQEE-NTEUORMPSA-N 0 0 390.511 3.597 50 10 GHCARN COc1cccc(OCCOc2cccc(C=C3SC(=S)NC3=O)c2)c1 ZINC000002961441 570320526 /nfs/dbraw/zinc/32/05/26/570320526.db2.gz ANDCOMOYJGXFSD-GZTJUZNOSA-N 0 0 387.482 3.642 50 10 GHCARN Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1[N+](=O)[O-] ZINC000004313683 570367551 /nfs/dbraw/zinc/36/75/51/570367551.db2.gz XREYIWKAKJDYRS-UHFFFAOYSA-N 0 0 386.363 3.931 50 10 GHCARN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC1CCCC1 ZINC000004976579 570387912 /nfs/dbraw/zinc/38/79/12/570387912.db2.gz NWKBKECMAQEQBT-KAMYIIQDSA-N 0 0 380.560 3.788 50 10 GHCARN CN(C)c1ccc(CNC(=O)Cc2csc(COc3ccc(F)cc3)n2)cc1 ZINC000011000987 570418231 /nfs/dbraw/zinc/41/82/31/570418231.db2.gz OQIFFOWXYBPZGM-UHFFFAOYSA-N 0 0 399.491 3.786 50 10 GHCARN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1C1=C[C@@H]2OCO[C@@H]2C=C1 ZINC000026771497 570428588 /nfs/dbraw/zinc/42/85/88/570428588.db2.gz XCWKBNLMOGZJKV-QYCKHGQWSA-N 0 0 382.466 3.564 50 10 GHCARN CN(C)c1ccc(CNc2nc(-c3ccccc3)nn2C(=O)c2ccco2)cc1 ZINC000004758841 570497706 /nfs/dbraw/zinc/49/77/06/570497706.db2.gz ZDAFTCKLKRLUPA-UHFFFAOYSA-N 0 0 387.443 3.905 50 10 GHCARN Cc1ccc(OS(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000005234072 570523809 /nfs/dbraw/zinc/52/38/09/570523809.db2.gz LBALJCREZLZDCO-UHFFFAOYSA-N 0 0 378.405 3.538 50 10 GHCARN O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1c[nH]c2ccccc12 ZINC000006719215 570547564 /nfs/dbraw/zinc/54/75/64/570547564.db2.gz HOLKJNBUCBJQDT-ZHZULCJRSA-N 0 0 388.496 3.960 50 10 GHCARN COc1ccc(N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000005383893 570570968 /nfs/dbraw/zinc/57/09/68/570570968.db2.gz JWYKKKRVYAJBJI-UHFFFAOYSA-N 0 0 388.533 3.504 50 10 GHCARN COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1C(=O)c1ccccc1 ZINC000039161486 570589629 /nfs/dbraw/zinc/58/96/29/570589629.db2.gz NORMSRFGHVKNJL-NRFANRHFSA-N 0 0 375.424 3.819 50 10 GHCARN Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1ccccc1Cl ZINC000005477768 570607749 /nfs/dbraw/zinc/60/77/49/570607749.db2.gz BRDSVHSPOSZAPW-HOMCDIFHSA-N 0 0 383.864 3.997 50 10 GHCARN C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000004474205 570798435 /nfs/dbraw/zinc/79/84/35/570798435.db2.gz RAWDRXZQNMAABG-CQSZACIVSA-N 0 0 391.448 3.502 50 10 GHCARN COc1ccc(-n2c(C)cc(C(=O)COc3cccnc3[N+](=O)[O-])c2C)cc1 ZINC000012532622 570834151 /nfs/dbraw/zinc/83/41/51/570834151.db2.gz XPKRLYDBBZQXTB-UHFFFAOYSA-N 0 0 381.388 3.668 50 10 GHCARN Cc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2)c1 ZINC000004690651 570839589 /nfs/dbraw/zinc/83/95/89/570839589.db2.gz UFKDPNIETWJPHT-SABKFZPKSA-N 0 0 389.436 3.991 50 10 GHCARN CCc1nc(C(=O)NCc2ccccc2O)nn1-c1c(Cl)cccc1Cl ZINC000083830383 570967638 /nfs/dbraw/zinc/96/76/38/570967638.db2.gz CDZBRGHNRIFAEZ-UHFFFAOYSA-N 0 0 391.258 3.772 50 10 GHCARN CC(C)CSC1=NSC2=NC(=O)/C(=C\c3ccc(N(C)C)cc3)C(=N)N12 ZINC000004800821 570995213 /nfs/dbraw/zinc/99/52/13/570995213.db2.gz BBPGDXNIIRCELU-PYDVBCTCSA-N 0 0 387.534 3.718 50 10 GHCARN Cc1cc(C)c2c(N)c(C(=O)OCc3cc(F)cc4c3OCOC4)sc2n1 ZINC000084114816 570999896 /nfs/dbraw/zinc/99/98/96/570999896.db2.gz LHVABUGJQFWPCV-UHFFFAOYSA-N 0 0 388.420 3.858 50 10 GHCARN Cc1ccc(/C=C2\C(=N)N3N=C(COc4cccc(C)c4)SC3=NC2=O)o1 ZINC000003890171 838562842 /nfs/dbraw/zinc/56/28/42/838562842.db2.gz FUINWPMMYFRHMH-KZUPQGAASA-N 0 0 380.429 3.595 50 10 GHCARN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000010262373 857425773 /nfs/dbraw/zinc/42/57/73/857425773.db2.gz FUKCEFMTYOMDQZ-LJQANCHMSA-N 0 0 397.475 3.694 50 10 GHCARN FC(F)(F)[C@@H](NC1CCN(c2ccc3c(c2)OCO3)CC1)c1ccccn1 ZINC000952982558 904668226 /nfs/dbraw/zinc/66/82/26/904668226.db2.gz AWJLTYCOEIBZIV-SFHVURJKSA-N 0 0 379.382 3.672 50 10 GHCARN COc1ccc(Cl)cc1-n1c(C)cc(C(=O)O[C@@H](C)C(=O)NC(C)C)c1C ZINC000016685456 210193111 /nfs/dbraw/zinc/19/31/11/210193111.db2.gz HPPCTNUYZMKGLK-AWEZNQCLSA-N 0 0 392.883 3.826 50 10 GHCARN COc1ccc([C@@H](c2ccc3c(OC)cccc3c2O)N2CCOCC2)cc1 ZINC000013656368 210075617 /nfs/dbraw/zinc/07/56/17/210075617.db2.gz WYADEYJOPGIMNZ-QFIPXVFZSA-N 0 0 379.456 3.984 50 10 GHCARN Cc1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1-c1ccc(C)c(F)c1 ZINC000013055790 210049507 /nfs/dbraw/zinc/04/95/07/210049507.db2.gz XNAVYWJBHFVFHM-UHFFFAOYSA-N 0 0 397.450 3.589 50 10 GHCARN COc1ccc(-c2cnc(SCC(=O)NCc3ccc(C)cc3)n2C)cc1 ZINC000007423686 209730905 /nfs/dbraw/zinc/73/09/05/209730905.db2.gz XXKAOBGGVGALNC-UHFFFAOYSA-N 0 0 381.501 3.813 50 10 GHCARN C[C@@H]1C[C@@H](C)CN(c2cc(NCCO)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000006737963 209675979 /nfs/dbraw/zinc/67/59/79/209675979.db2.gz QUUUEZCRVPIMDV-ZIAGYGMSSA-N 0 0 391.471 3.926 50 10 GHCARN O=C(NN1C(=O)/C(=C/c2cccs2)SC1=S)c1cccc(Cl)c1 ZINC000002258426 209352428 /nfs/dbraw/zinc/35/24/28/209352428.db2.gz LRSGXLBTBMPDGF-WQLSENKSSA-N 0 0 380.903 3.948 50 10 GHCARN COc1ccc(NC(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 ZINC000001907701 209342645 /nfs/dbraw/zinc/34/26/45/209342645.db2.gz ONKNXLHCXZWINW-WJDWOHSUSA-N 0 0 384.482 3.535 50 10 GHCARN CCOc1ccc(N2C(=O)/C(=C3\C(=O)Nc4ccccc43)SC2=S)cc1 ZINC000001782498 209337947 /nfs/dbraw/zinc/33/79/47/209337947.db2.gz HHVFYPORFJLLDS-FOCLMDBBSA-N 0 0 382.466 3.813 50 10 GHCARN CCOC(=O)c1sc2nc(N3CCCC3)c3c(c2c1N)CC(C)(C)OC3 ZINC000001246405 209317393 /nfs/dbraw/zinc/31/73/93/209317393.db2.gz NYICIPPAZNSTCV-UHFFFAOYSA-N 0 0 375.494 3.507 50 10 GHCARN CCN(CC)c1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1 ZINC000001198921 209313389 /nfs/dbraw/zinc/31/33/89/209313389.db2.gz HCEODGKXFBQXOK-FQEVSTJZSA-N 0 0 394.544 3.964 50 10 GHCARN CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)cc1 ZINC000000847237 209271339 /nfs/dbraw/zinc/27/13/39/209271339.db2.gz SLJQAIUPQUBJDR-OAQYLSRUSA-N 0 0 393.487 3.904 50 10 GHCARN CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCc2ccccc2)cc1 ZINC000015636900 211710675 /nfs/dbraw/zinc/71/06/75/211710675.db2.gz GUSYMMLBLSXYLY-QJOMJCCJSA-N 0 0 399.494 3.840 50 10 GHCARN CC[C@H]1CCCCN1C(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000005370748 211565799 /nfs/dbraw/zinc/56/57/99/211565799.db2.gz PIWBHHSUEATUDO-UESPBHMZSA-N 0 0 378.519 3.662 50 10 GHCARN COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S ZINC000001276933 211503825 /nfs/dbraw/zinc/50/38/25/211503825.db2.gz NTSVWXCYASQJKB-KSRYWAHESA-N 0 0 376.286 3.756 50 10 GHCARN COc1ccc(-c2cnc(SCC(=O)N3CCCC3)n2Cc2ccco2)cc1 ZINC000044086161 211449131 /nfs/dbraw/zinc/44/91/31/211449131.db2.gz MUWKODMOOFVKKG-UHFFFAOYSA-N 0 0 397.500 3.915 50 10 GHCARN CC(Nc1ccc(Cn2cncn2)cc1)=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000100422621 211386246 /nfs/dbraw/zinc/38/62/46/211386246.db2.gz MBPVUZUUZUVINT-ZHZULCJRSA-N 0 0 390.422 3.574 50 10 GHCARN O=C(Nc1cccc(C=C2SC(NC3CCCC3)=NC2=O)c1)C(F)(F)F ZINC000096401407 211342346 /nfs/dbraw/zinc/34/23/46/211342346.db2.gz OJHXIGSKQSGKKL-UKTHLTGXSA-N 0 0 383.395 3.690 50 10 GHCARN COc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1OC ZINC000002123574 136193443 /nfs/dbraw/zinc/19/34/43/136193443.db2.gz DMWXZAWLDVKIAG-UHFFFAOYSA-N 0 0 379.412 3.655 50 10 biogenic GHCARN CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(C)c4ccccc34)C2=O)cc1 ZINC000004794790 136194049 /nfs/dbraw/zinc/19/40/49/136194049.db2.gz IIUCPGKIHZLNOJ-UNOMPAQXSA-N 0 0 387.439 3.968 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)cc1 ZINC000012556299 536690864 /nfs/dbraw/zinc/69/08/64/536690864.db2.gz CVMRUJHZBPISIA-UHFFFAOYSA-N 0 0 379.485 3.781 50 10 GHCARN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000006167782 570279570 /nfs/dbraw/zinc/27/95/70/570279570.db2.gz LUNJBLOQCQYZFS-XDHOZWIPSA-N 0 0 392.411 3.776 50 10 GHCARN [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cc(Br)cc(Cl)c2[O-])N1 ZINC000575442910 570313166 /nfs/dbraw/zinc/31/31/66/570313166.db2.gz XTSYOQCKHCUKRI-CYBMUJFWSA-N 0 0 392.644 3.655 50 10 GHCARN COc1ccc(N2CCN(Cc3cc(Br)ccc3OC)CC2)cc1 ZINC000055543003 570351213 /nfs/dbraw/zinc/35/12/13/570351213.db2.gz WXTXCVLRUDHJCM-UHFFFAOYSA-N 0 0 391.309 3.789 50 10 GHCARN CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2-n2c(C)ccc2C)cc1 ZINC000004050963 570355627 /nfs/dbraw/zinc/35/56/27/570355627.db2.gz NQZPDVXWTFJBQM-UHFFFAOYSA-N 0 0 397.500 3.531 50 10 GHCARN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2C[C@@H](O)c1cccc(O)c1 ZINC000604403959 570361118 /nfs/dbraw/zinc/36/11/18/570361118.db2.gz FXHLKLADYKKGDW-HXUWFJFHSA-N 0 0 383.403 3.652 50 10 biogenic GHCARN CCOC(=O)c1ccccc1NCN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000004956073 570420185 /nfs/dbraw/zinc/42/01/85/570420185.db2.gz WVRIRCHWFCGEJH-XNTDXEJSSA-N 0 0 388.470 3.727 50 10 GHCARN COc1cc2c(cc1OC)[C@@H](c1cc(Br)ccc1O)N(C)CC2 ZINC000006667463 570487190 /nfs/dbraw/zinc/48/71/90/570487190.db2.gz JEOKXNLJLFGKND-SFHVURJKSA-N 0 0 378.266 3.749 50 10 GHCARN CCc1cc(=O)oc2c(C)c([O-])c(C[NH+]3CCN(c4ccccc4)CC3)cc12 ZINC000008743326 570539478 /nfs/dbraw/zinc/53/94/78/570539478.db2.gz WCTXHFPIUHJVLS-UHFFFAOYSA-N 0 0 378.472 3.692 50 10 GHCARN CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(Cl)cc3)S2)CC1 ZINC000004602699 570540183 /nfs/dbraw/zinc/54/01/83/570540183.db2.gz RXMROHIUYOJRSX-RVDMUPIBSA-N 0 0 378.881 3.585 50 10 GHCARN COc1cccc(-n2c(C)cc(C(=O)Cn3cnc4ccccc4c3=O)c2C)c1 ZINC000010009455 570564741 /nfs/dbraw/zinc/56/47/41/570564741.db2.gz UMNISAVNEIZKQN-UHFFFAOYSA-N 0 0 387.439 3.696 50 10 GHCARN COC(=O)[C@@H](Cc1ccc(O)cc1)Nc1ccccc1C(=O)c1ccccc1 ZINC000038987876 570588873 /nfs/dbraw/zinc/58/88/73/570588873.db2.gz NORMSRFGHVKNJL-OAQYLSRUSA-N 0 0 375.424 3.819 50 10 GHCARN CC(C)CNC=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O ZINC000005461217 570604396 /nfs/dbraw/zinc/60/43/96/570604396.db2.gz ABQYSMALQVBMSE-UHFFFAOYSA-N 0 0 375.513 3.572 50 10 GHCARN Cc1cc(C(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000006832170 570636190 /nfs/dbraw/zinc/63/61/90/570636190.db2.gz ISEAZPPCXKRKIH-HXUWFJFHSA-N 0 0 395.503 3.860 50 10 GHCARN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000005643757 570679187 /nfs/dbraw/zinc/67/91/87/570679187.db2.gz COCIFLYSPFAOFJ-UHFFFAOYSA-N 0 0 377.396 3.863 50 10 GHCARN COc1ccc(N2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000055567982 570697437 /nfs/dbraw/zinc/69/74/37/570697437.db2.gz BUNVJTGUYVBOTE-UHFFFAOYSA-N 0 0 394.302 3.763 50 10 GHCARN Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1-c1ccc2c(c1)CCC2 ZINC000007180742 570811868 /nfs/dbraw/zinc/81/18/68/570811868.db2.gz HWVKMBZWJQNEGC-UHFFFAOYSA-N 0 0 388.467 3.943 50 10 GHCARN Cc1nn(C)c(NC(=O)Cc2ccc(N)cc2)c1-c1ccc(Br)cc1 ZINC000170678004 571009056 /nfs/dbraw/zinc/00/90/56/571009056.db2.gz RPEBFLUGXYETHN-UHFFFAOYSA-N 0 0 399.292 3.921 50 10 GHCARN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](CCc3noc(C)n3)C2)cc1 ZINC000675024015 840929827 /nfs/dbraw/zinc/92/98/27/840929827.db2.gz JYWKSIQCIJPQNX-GOSISDBHSA-N 0 0 378.476 3.880 50 10 GHCARN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000005864953 842746169 /nfs/dbraw/zinc/74/61/69/842746169.db2.gz JFUDGYPYMPAAHQ-LDADJPATSA-N 0 0 395.455 3.978 50 10 GHCARN COc1ccc(N2CCN(C(=O)CCc3nc4ccccc4s3)CC2)cc1 ZINC000008029073 861454976 /nfs/dbraw/zinc/45/49/76/861454976.db2.gz WTHZZSRENFKVBG-UHFFFAOYSA-N 0 0 381.501 3.586 50 10 GHCARN Cc1cc(C(=O)N2CC[C@@H](OCc3ccccn3)C2)c(C)n1-c1ccccc1 ZINC000079110766 849154919 /nfs/dbraw/zinc/15/49/19/849154919.db2.gz BQBJDMMQFMEZLB-OAQYLSRUSA-N 0 0 375.472 3.920 50 10 GHCARN CCOc1ccccc1NC(=S)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000003051027 862149227 /nfs/dbraw/zinc/14/92/27/862149227.db2.gz KSZNHKWZAPOEDX-MRXNPFEDSA-N 0 0 385.533 3.907 50 10 GHCARN O=C(NCc1ccc(N2CCSCC2)cc1)c1cnc(-c2ccccc2)nc1 ZINC000066919580 856140223 /nfs/dbraw/zinc/14/02/23/856140223.db2.gz AYKPLPUFFNQJOO-UHFFFAOYSA-N 0 0 390.512 3.627 50 10 GHCARN Cc1cc(C(=O)NCc2nnc3n2CCCCC3)c(C)n1-c1ccccc1C ZINC000042060376 857344499 /nfs/dbraw/zinc/34/44/99/857344499.db2.gz VRIXFJDUQQINNS-UHFFFAOYSA-N 0 0 377.492 3.650 50 10 GHCARN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCCc1ccc(Cl)cc1 ZINC000017747833 210212288 /nfs/dbraw/zinc/21/22/88/210212288.db2.gz DXLAHTVUVJKSSW-PDGQHHTCSA-N 0 0 384.823 3.687 50 10 GHCARN Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(O)c3)C2=O)cc1 ZINC000016739211 210195240 /nfs/dbraw/zinc/19/52/40/210195240.db2.gz LTQJVARRUKZRGK-SXGWCWSVSA-N 0 0 384.482 3.541 50 10 GHCARN O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1nccs1 ZINC000016183789 210187074 /nfs/dbraw/zinc/18/70/74/210187074.db2.gz CWLWDIRXNNJTAB-XFXZXTDPSA-N 0 0 393.490 3.512 50 10 GHCARN Cc1cc(C(=O)CN(C)S(=O)(=O)c2cccs2)c(C)n1-c1ccccc1 ZINC000013063310 210050178 /nfs/dbraw/zinc/05/01/78/210050178.db2.gz WYZGWDCHVRHKHH-UHFFFAOYSA-N 0 0 388.514 3.659 50 10 GHCARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(OC)ccc1OC ZINC000012413417 209951070 /nfs/dbraw/zinc/95/10/70/209951070.db2.gz QGUPEVVBZDUSRG-RGEXLXHISA-N 0 0 393.439 3.971 50 10 GHCARN CN(C)c1ccc(/C=C2/SC(=O)N(CNc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000003044162 209408614 /nfs/dbraw/zinc/40/86/14/209408614.db2.gz NOWZYYYUKARTHZ-LICLKQGHSA-N 0 0 398.444 3.767 50 10 GHCARN CCCSc1nnc2c(n1)O[C@@H](c1ccc(O)c(O)c1)Nc1ccccc1-2 ZINC000002911680 209397564 /nfs/dbraw/zinc/39/75/64/209397564.db2.gz UUOOFLRGKXQGHH-KRWDZBQOSA-N 0 0 382.445 3.955 50 10 GHCARN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(C)C3=O)c2C)cc1 ZINC000002375745 209360092 /nfs/dbraw/zinc/36/00/92/209360092.db2.gz NGEXFGDNIDSZHU-GZTJUZNOSA-N 0 0 384.457 3.937 50 10 GHCARN O=c1[nH]nc(Sc2ncc([N+](=O)[O-])s2)n1-c1ccccc1C(F)(F)F ZINC000002148176 209348811 /nfs/dbraw/zinc/34/88/11/209348811.db2.gz HJMKKMQLAJDZOY-UHFFFAOYSA-N 0 0 389.340 3.508 50 10 GHCARN CC(C)(C)NC(=O)CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC000001239337 209317480 /nfs/dbraw/zinc/31/74/80/209317480.db2.gz OLVAAQFQOLHCEU-KAMYIIQDSA-N 0 0 380.510 3.722 50 10 GHCARN CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(Cl)cc3)S2)CC1 ZINC000001438668 209327838 /nfs/dbraw/zinc/32/78/38/209327838.db2.gz RXMROHIUYOJRSX-PTNGSMBKSA-N 0 0 378.881 3.585 50 10 GHCARN COc1ccc(O)c(C=C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)c1 ZINC000001101169 209299043 /nfs/dbraw/zinc/29/90/43/209299043.db2.gz NKMSCUOGHCMMJM-UHFFFAOYSA-N 0 0 386.407 3.779 50 10 GHCARN COc1ccc([C@@]2(c3ccc(O)cc3O)C[C@H](c3ccco3)NC(=S)N2)cc1 ZINC000001072536 209297314 /nfs/dbraw/zinc/29/73/14/209297314.db2.gz KXWJJGUWUDIHFH-DYESRHJHSA-N 0 0 396.468 3.552 50 10 GHCARN CCN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O ZINC000000665357 209256396 /nfs/dbraw/zinc/25/63/96/209256396.db2.gz TVDPCUCTYBXINS-YBEGLDIGSA-N 0 0 388.265 3.769 50 10 GHCARN Cc1ccc(C(C)(C)O[C@@H]2CC(=O)Cc3c(O)c4cccc(O)c4c(O)c32)cc1 ZINC000169616667 209183558 /nfs/dbraw/zinc/18/35/58/209183558.db2.gz HWBQGRFPUCBOTB-FBBABVLZSA-N 0 0 392.451 3.995 50 10 GHCARN CC(=O)c1ccc(N2C(=O)C(=C3c4ccccc4N(C)C3=O)SC2=S)cc1 ZINC000004291577 211539181 /nfs/dbraw/zinc/53/91/81/211539181.db2.gz SDZQFNZKWRPSAY-MSUUIHNZSA-N 0 0 394.477 3.642 50 10 GHCARN CC(=O)c1ccc(N2C(=O)C(=C3C(=O)Nc4ccccc43)SC2=S)cc1 ZINC000003069372 211519877 /nfs/dbraw/zinc/51/98/77/211519877.db2.gz VVCYVPFFWHIZPV-NXVVXOECSA-N 0 0 380.450 3.617 50 10 GHCARN O=C1C[C@H](N2CCSCC2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000100712927 211389810 /nfs/dbraw/zinc/38/98/10/211389810.db2.gz NZXMZSQASAWFTA-ZREAOVPFSA-N 0 0 380.473 3.783 50 10 GHCARN Cc1cc(C(=O)NCCCc2nnc3n2CCCC3)c(C)n1-c1ccccc1F ZINC000095451066 211240021 /nfs/dbraw/zinc/24/00/21/211240021.db2.gz WWDYPBWFQIFYJD-UHFFFAOYSA-N 0 0 395.482 3.524 50 10 GHCARN CC(C)OCCS(=O)(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000095461775 211244200 /nfs/dbraw/zinc/24/42/00/211244200.db2.gz RVCPMBZQCAQXQK-QGZVFWFLSA-N 0 0 377.506 3.710 50 10 GHCARN COc1ccc(N2CCN(C(=O)COc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000021278625 210380813 /nfs/dbraw/zinc/38/08/13/210380813.db2.gz HICNNYSGWGJNOL-UHFFFAOYSA-N 0 0 395.286 3.730 50 10 GHCARN Cc1ccc(C(O)(C(=O)NCc2ccc(N(C)C)cc2)c2ccc(C)cc2)cc1 ZINC000019925517 210305887 /nfs/dbraw/zinc/30/58/87/210305887.db2.gz GGBQTZHHWITWAW-UHFFFAOYSA-N 0 0 388.511 3.922 50 10 GHCARN Cc1cccc(N2CCN(CN3C(=O)/C(=C/c4ccco4)SC3=S)CC2)c1 ZINC000019795211 210297457 /nfs/dbraw/zinc/29/74/57/210297457.db2.gz OYSFKYLDMGCQMO-AQTBWJFISA-N 0 0 399.541 3.569 50 10 GHCARN COC(=O)C1=CN(c2cccc(Cl)c2C)c2cc(F)ccc2S1(=O)=O ZINC000064979211 136158421 /nfs/dbraw/zinc/15/84/21/136158421.db2.gz UDTMQJTXPDYTFJ-UHFFFAOYSA-N 0 0 381.812 3.727 50 10 GHCARN Cc1ccccc1NC1=NC(=O)C(=Cc2ccc(N3CCOCC3)cc2)S1 ZINC000016441039 136201977 /nfs/dbraw/zinc/20/19/77/136201977.db2.gz CGKADHZHSDAYSO-XMHGGMMESA-N 0 0 379.485 3.914 50 10 GHCARN CCN(CC)c1ccc(/C=c2\sc3nnc(-c4ccccc4C)n3c2=O)cc1 ZINC000000637320 570278969 /nfs/dbraw/zinc/27/89/69/570278969.db2.gz OHBSLURBCZIRKJ-RGEXLXHISA-N 0 0 390.512 3.520 50 10 GHCARN CCCCNC(=O)CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000004855680 570349817 /nfs/dbraw/zinc/34/98/17/570349817.db2.gz GOBGGTGKPCENMK-KAMYIIQDSA-N 0 0 382.938 3.848 50 10 GHCARN CN(C)c1ccc(/C=C2\SC(=O)N(CCC(=O)Nc3ccccc3)C2=O)cc1 ZINC000004192400 570362262 /nfs/dbraw/zinc/36/22/62/570362262.db2.gz FBLKIZUWEPCKKZ-JXAWBTAJSA-N 0 0 395.484 3.818 50 10 GHCARN Cc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c(C)n1Cc1ccccc1 ZINC000033560643 570376665 /nfs/dbraw/zinc/37/66/65/570376665.db2.gz AHNHRJXODLAYIN-LVKBRKGQSA-N 0 0 377.473 3.792 50 10 GHCARN Cc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(C)C)cc1 ZINC000004953319 570381027 /nfs/dbraw/zinc/38/10/27/570381027.db2.gz PJNDHUKSGSNWBG-LJQANCHMSA-N 0 0 398.894 3.981 50 10 GHCARN CCOC(=O)c1cccc(-c2ccc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)o2)c1 ZINC000005013890 570396335 /nfs/dbraw/zinc/39/63/35/570396335.db2.gz WDLCPOFLWBZFDO-JTKJEDPUSA-N 0 0 391.383 3.574 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000004747894 570402031 /nfs/dbraw/zinc/40/20/31/570402031.db2.gz MVFCXOTZPATESW-UHFFFAOYSA-N 0 0 383.448 3.689 50 10 GHCARN CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000006715985 570489747 /nfs/dbraw/zinc/48/97/47/570489747.db2.gz XUJMWBNOTQXMPW-FQEVSTJZSA-N 0 0 388.895 3.855 50 10 GHCARN COc1ccc(N2CCN(CC(=O)n3c(C)c(C)c4ccccc43)CC2)cc1 ZINC000035851992 570558417 /nfs/dbraw/zinc/55/84/17/570558417.db2.gz KBVKBNZINZORBV-UHFFFAOYSA-N 0 0 377.488 3.729 50 10 GHCARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000010113290 570565549 /nfs/dbraw/zinc/56/55/49/570565549.db2.gz FOBHNMUUQNDEIH-OAHLLOKOSA-N 0 0 390.936 3.974 50 10 GHCARN COc1cc(/C=C2/C(=O)N=C3Sc4ccccc4N3C2=N)cc(OC)c1OC ZINC000005516663 570624277 /nfs/dbraw/zinc/62/42/77/570624277.db2.gz FMBAVNBKGHMVPK-WNAOBFJWSA-N 0 0 395.440 3.582 50 10 GHCARN CCN1c2ccccc2S/C1=C\C=C\C=C\C=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000685944336 570675326 /nfs/dbraw/zinc/67/53/26/570675326.db2.gz DNKHNLPAMXIFOQ-QZVSGYHJSA-N 0 0 395.484 3.549 50 10 GHCARN CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N(C)C1=S ZINC000001180248 570713266 /nfs/dbraw/zinc/71/32/66/570713266.db2.gz XPNUMESNTRKNBM-UHFFFAOYSA-N 0 0 395.267 3.852 50 10 GHCARN Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N3c4ccccc4C[C@H]3C)sc2n1 ZINC000010644879 570792389 /nfs/dbraw/zinc/79/23/89/570792389.db2.gz IIGSAWHBVGOGTM-CYBMUJFWSA-N 0 0 395.484 3.630 50 10 GHCARN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000004672701 570819653 /nfs/dbraw/zinc/81/96/53/570819653.db2.gz FUSQRDHCDLAFKV-JVVDOCDTSA-N 0 0 391.423 3.849 50 10 GHCARN CC[C@@H](C)Oc1cccc(C(=O)Nc2cc(OC)ccc2N2CCOCC2)c1 ZINC000007496940 570857274 /nfs/dbraw/zinc/85/72/74/570857274.db2.gz KLUYBKJMIHUHCZ-MRXNPFEDSA-N 0 0 384.476 3.961 50 10 GHCARN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(Cl)ccn1 ZINC000084350113 571014194 /nfs/dbraw/zinc/01/41/94/571014194.db2.gz BVSPBYRSLNSROR-UHFFFAOYSA-N 0 0 399.800 3.520 50 10 GHCARN COc1ccccc1COC[C@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000003394635 862383726 /nfs/dbraw/zinc/38/37/26/862383726.db2.gz AKZURUOWLYNVIC-HXUWFJFHSA-N 0 0 397.471 3.574 50 10 GHCARN O=C(C1=CN(c2ccc3c(c2)CCC3)c2ccccc2S1(=O)=O)N1CCCC1 ZINC000038655227 856230983 /nfs/dbraw/zinc/23/09/83/856230983.db2.gz GNOLSMCMZQOJAQ-UHFFFAOYSA-N 0 0 394.496 3.565 50 10 GHCARN COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CN2CCCCC2)c1O ZINC000008774951 856358522 /nfs/dbraw/zinc/35/85/22/856358522.db2.gz OCZHFKUHICNPSV-QGZVFWFLSA-N 0 0 399.516 3.626 50 10 GHCARN Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1-c1ccccc1F ZINC000010211853 857419185 /nfs/dbraw/zinc/41/91/85/857419185.db2.gz HRMIYNZMZMAMGH-UHFFFAOYSA-N 0 0 394.233 3.980 50 10 GHCARN Cc1cc(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c(C)n1-c1ccccc1C ZINC000032526481 862954554 /nfs/dbraw/zinc/95/45/54/862954554.db2.gz MERYSRNICCPHGM-UHFFFAOYSA-N 0 0 397.500 3.611 50 10 GHCARN CC(=O)N1CCC([C@@H]2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)CC1 ZINC000581800628 869999347 /nfs/dbraw/zinc/99/93/47/869999347.db2.gz PYGHXDVSNBSNCD-JOCHJYFZSA-N 0 0 393.531 3.815 50 10 GHCARN O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1cn(C2CCC2)nn1 ZINC000585091636 897339436 /nfs/dbraw/zinc/33/94/36/897339436.db2.gz BUCABJLVOIOUPV-FLIBITNWSA-N 0 0 387.365 3.676 50 10 GHCARN CC1=NN(c2cccc3ccccc32)C(=O)C1=CNc1ccc2[nH]c(=O)[nH]c2c1 ZINC000017885128 210211998 /nfs/dbraw/zinc/21/19/98/210211998.db2.gz DGRDQCHLFHIKGP-ATVHPVEESA-N 0 0 383.411 3.728 50 10 GHCARN COc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1O ZINC000015008421 210142600 /nfs/dbraw/zinc/14/26/00/210142600.db2.gz JOYZXYFCXUONDY-GZTJUZNOSA-N 0 0 386.498 3.873 50 10 GHCARN O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1ccccc1 ZINC000013476999 210062798 /nfs/dbraw/zinc/06/27/98/210062798.db2.gz BYBSOVVCZOZCNS-VIZOYTHASA-N 0 0 386.410 3.729 50 10 GHCARN CCCCCOC(=O)CN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S ZINC000002900134 209394843 /nfs/dbraw/zinc/39/48/43/209394843.db2.gz OBDLMMPACUMZKX-PTNGSMBKSA-N 0 0 379.503 3.630 50 10 GHCARN COc1ccc(CNC(=O)c2ccc3c4c2noc4-c2ccccc2C3=O)cc1 ZINC000002293646 209354608 /nfs/dbraw/zinc/35/46/08/209354608.db2.gz FRAJUVGAWNQQSS-UHFFFAOYSA-N 0 0 384.391 3.978 50 10 GHCARN CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 ZINC000001189687 209311742 /nfs/dbraw/zinc/31/17/42/209311742.db2.gz VETSEJOOKXRQPJ-SFHVURJKSA-N 0 0 384.867 3.673 50 10 GHCARN COc1ccc(CC(=O)c2ccc([O-])c(C[NH+]3CCCCC3)c2O)cc1OC ZINC000023135303 209238619 /nfs/dbraw/zinc/23/86/19/209238619.db2.gz PAYSATHYCYWPRN-UHFFFAOYSA-N 0 0 385.460 3.526 50 10 biogenic GHCARN C[C@@H]1CN(c2ccc(CNC(=O)c3cn(C)c4ccccc34)cc2F)C[C@@H](C)O1 ZINC000065475761 136164119 /nfs/dbraw/zinc/16/41/19/136164119.db2.gz GTRURBXULHNHMT-HZPDHXFCSA-N 0 0 395.478 3.861 50 10 GHCARN O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1c[nH]c2ccccc12 ZINC000004823054 136194078 /nfs/dbraw/zinc/19/40/78/136194078.db2.gz YHHJDNMMEYRZDO-UKTHLTGXSA-N 0 0 381.844 3.653 50 10 GHCARN CC(C)N1C(=O)/C(=C\c2cc3ccccc3nc2N2CCOCC2)SC1=S ZINC000012946271 535126045 /nfs/dbraw/zinc/12/60/45/535126045.db2.gz YGAJNZDYTPGHOV-SFQUDFHCSA-N 0 0 399.541 3.681 50 10 GHCARN COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O ZINC000001305949 570260434 /nfs/dbraw/zinc/26/04/34/570260434.db2.gz DDEYJMLUMXLRHK-WJDWOHSUSA-N 0 0 384.482 3.550 50 10 GHCARN COC(=O)c1ccc(CN2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000004193882 570362271 /nfs/dbraw/zinc/36/22/71/570362271.db2.gz AZPMIESRZCAZFG-PDGQHHTCSA-N 0 0 396.468 3.776 50 10 GHCARN CCOc1ccc(C(=S)N2CCN(c3ccc(OC)cc3)CC2)cc1OC ZINC000004623409 570388280 /nfs/dbraw/zinc/38/82/80/570388280.db2.gz DRCRAHRBYMUQAP-UHFFFAOYSA-N 0 0 386.517 3.600 50 10 GHCARN O=C1N=C(N2CCOCC2)S/C1=C/c1ccc2noc(-c3ccccc3)c2c1 ZINC000005013236 570395730 /nfs/dbraw/zinc/39/57/30/570395730.db2.gz PETNAGMKHUFYLP-QGOAFFKASA-N 0 0 391.452 3.797 50 10 GHCARN CC(=C\c1ccccc1)/C=C1\SC(=S)N(NC(=O)c2ccccc2O)C1=O ZINC000005024702 570399322 /nfs/dbraw/zinc/39/93/22/570399322.db2.gz JWKNOIAQZANLBH-YMGXUNRSSA-N 0 0 396.493 3.885 50 10 GHCARN O=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1N1CCOCC1 ZINC000005032677 570401479 /nfs/dbraw/zinc/40/14/79/570401479.db2.gz YITIJECGQUTUBP-LFIBNONCSA-N 0 0 390.461 3.534 50 10 GHCARN Cc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(N(C)C)cc1 ZINC000005377896 570436512 /nfs/dbraw/zinc/43/65/12/570436512.db2.gz VYRPHBCGFZLEBY-HXUWFJFHSA-N 0 0 388.475 3.580 50 10 GHCARN CCCCCCC(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000006635150 570510806 /nfs/dbraw/zinc/51/08/06/570510806.db2.gz BKZYGNHWVVYWLL-UHFFFAOYSA-N 0 0 393.439 3.914 50 10 GHCARN COc1ccc(Nc2cc(N(C)C)c(N)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000005451766 570597271 /nfs/dbraw/zinc/59/72/71/570597271.db2.gz QURVRDRWIVTKCQ-UHFFFAOYSA-N 0 0 387.439 3.862 50 10 GHCARN O=C(COC(=O)CC1CCCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000007026786 570742850 /nfs/dbraw/zinc/74/28/50/570742850.db2.gz OVCBXGFHEIOOTI-UHFFFAOYSA-N 0 0 391.423 3.524 50 10 GHCARN O=[N+]([O-])c1ccc(NCc2ccc(N3CCC(CO)CC3)cc2)c2ccncc21 ZINC000052446555 570749903 /nfs/dbraw/zinc/74/99/03/570749903.db2.gz CVYQEEKDRHFPQK-UHFFFAOYSA-N 0 0 392.459 3.964 50 10 GHCARN CC(=O)N1CCC2(CC1)N=C(c1ccc(C)cc1)C[C@H](c1ccccc1O)N2 ZINC000065297875 570787492 /nfs/dbraw/zinc/78/74/92/570787492.db2.gz NDUODOFSLBBQEN-OAQYLSRUSA-N 0 0 377.488 3.563 50 10 biogenic GHCARN Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000007148670 570807234 /nfs/dbraw/zinc/80/72/34/570807234.db2.gz MEKBHSYNEJOSCT-UHFFFAOYSA-N 0 0 384.530 3.992 50 10 GHCARN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccccn1 ZINC000004663170 570812030 /nfs/dbraw/zinc/81/20/30/570812030.db2.gz DDDMCWPEDVTOJT-XDHOZWIPSA-N 0 0 390.418 3.721 50 10 GHCARN CN(C)c1ccc(/C=C/C(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 ZINC000065475895 570823421 /nfs/dbraw/zinc/82/34/21/570823421.db2.gz WPBWJDKQRMYLOO-GXDHUFHOSA-N 0 0 378.520 3.858 50 10 GHCARN O=c1oc2c(ccc3c2CN(c2ccc4c(c2)OCO4)CO3)c2c1CCCC2 ZINC000002118821 570953437 /nfs/dbraw/zinc/95/34/37/570953437.db2.gz XYEDQINFXCALAS-UHFFFAOYSA-N 0 0 377.396 3.757 50 10 biogenic GHCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000005023966 843370000 /nfs/dbraw/zinc/37/00/00/843370000.db2.gz ZKPGVTPKXNCDGO-PXLXIMEGSA-N 0 0 375.472 3.946 50 10 GHCARN Cc1cc(C(=O)[C@H](C)N2CCC(C(N)=O)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000057873193 862268268 /nfs/dbraw/zinc/26/82/68/862268268.db2.gz CVRJLVNECLLUMP-HNNXBMFYSA-N 0 0 387.911 3.516 50 10 GHCARN COc1ccc(C(F)(F)C(=O)NCc2cc(Br)ccc2O)cc1 ZINC000253418169 855093400 /nfs/dbraw/zinc/09/34/00/855093400.db2.gz LQYMPLQYOOZSJV-UHFFFAOYSA-N 0 0 386.192 3.572 50 10 GHCARN COc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)ccc1O ZINC000003983437 862689824 /nfs/dbraw/zinc/68/98/24/862689824.db2.gz DCINAMQOZUEUCE-OQLLNIDSSA-N 0 0 387.233 3.969 50 10 GHCARN COc1ccccc1NCN1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O ZINC000096592341 860995438 /nfs/dbraw/zinc/99/54/38/860995438.db2.gz FTCJLPCCZLCDRL-PDGQHHTCSA-N 0 0 383.473 3.867 50 10 GHCARN Cc1c(CCNC(=O)[C@@H]2Cc3ccccc3CN2C)c2cccc3c2n1CCC3 ZINC000670465096 893717821 /nfs/dbraw/zinc/71/78/21/893717821.db2.gz AZBKWTCTSOCEEI-QHCPKHFHSA-N 0 0 387.527 3.611 50 10 GHCARN CCn1c2ccc(C(=O)N(CCO)Cc3cccs3)cc2c2c1C(=O)CCC2 ZINC000952979542 904659322 /nfs/dbraw/zinc/65/93/22/904659322.db2.gz WUVYNLJXQVYYBT-UHFFFAOYSA-N 0 0 396.512 3.876 50 10 GHCARN COC(=O)c1ccc(COc2ccc(C=C3SC(=S)NC3=O)cc2)cc1 ZINC000012617593 927299312 /nfs/dbraw/zinc/29/93/12/927299312.db2.gz HDRHPWREDHFVBT-YBEGLDIGSA-N 0 0 385.466 3.541 50 10 GHCARN Cc1cc(C(=O)COC(=O)C2CC2)c(C)n1-c1ccc(Br)cc1 ZINC000003308977 230829903 /nfs/dbraw/zinc/82/99/03/230829903.db2.gz RPPHDCPBPWUVII-UHFFFAOYSA-N 0 0 376.250 3.993 50 10 GHCARN CCCOc1cc(N(CC)CC)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000017136164 210206284 /nfs/dbraw/zinc/20/62/84/210206284.db2.gz WIPJEVNJTPDMLZ-HKWRFOASSA-N 0 0 393.487 3.783 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)cc4C)n[nH]3)CC2)cc1 ZINC000015680556 210162290 /nfs/dbraw/zinc/16/22/90/210162290.db2.gz QTWJELVXEYADKB-UHFFFAOYSA-N 0 0 390.487 3.665 50 10 GHCARN COc1ccc(C[C@@H](C)NC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000015108331 210152788 /nfs/dbraw/zinc/15/27/88/210152788.db2.gz PPQPYEVGANUNLA-OAHLLOKOSA-N 0 0 399.446 3.832 50 10 GHCARN Cc1cc(C)cc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(N(C)C)cc2)c1 ZINC000004189215 209470380 /nfs/dbraw/zinc/47/03/80/209470380.db2.gz URPKTGWJEJGRBO-FQEVSTJZSA-N 0 0 394.544 3.801 50 10 GHCARN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1O ZINC000003864236 209457172 /nfs/dbraw/zinc/45/71/72/209457172.db2.gz AWPAEDONTXBWED-RIYZIHGNSA-N 0 0 387.233 3.969 50 10 GHCARN CCOc1ccccc1/C=C1/SC(N2CCN(c3ccccc3)CC2)=NC1=O ZINC000001471531 209330408 /nfs/dbraw/zinc/33/04/08/209330408.db2.gz GOKDLZXVJRWXTO-CAPFRKAQSA-N 0 0 393.512 3.878 50 10 GHCARN O=C(NN1C(=O)/C(=C/c2cccc(O)c2)SC1=S)c1ccccc1Cl ZINC000001214338 209314914 /nfs/dbraw/zinc/31/49/14/209314914.db2.gz PGTAXGJPLRKTMC-ZROIWOOFSA-N 0 0 390.873 3.592 50 10 GHCARN CCOC(=O)COc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1Cl ZINC000001161862 209308154 /nfs/dbraw/zinc/30/81/54/209308154.db2.gz ZNDKIGCFPWTMBK-JYRVWZFOSA-N 0 0 385.894 3.503 50 10 GHCARN COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)c([N+](=O)[O-])cc1OC ZINC000000832804 209270376 /nfs/dbraw/zinc/27/03/76/209270376.db2.gz IUOPNJCYHATIPY-CXUHLZMHSA-N 0 0 381.388 3.727 50 10 GHCARN COc1ccc2c(c1)OCC(/C=C1/SC(=S)N(c3cccnc3)C1=O)=C2 ZINC000096939643 209241178 /nfs/dbraw/zinc/24/11/78/209241178.db2.gz PGCJSCQVBRVAEF-CAOOACKPSA-N 0 0 382.466 3.815 50 10 GHCARN Cc1cc(/C=C\C(=O)Nc2ccc(S(C)(=O)=O)nc2)c(C)n1-c1ccccc1 ZINC000096166241 209239270 /nfs/dbraw/zinc/23/92/70/209239270.db2.gz DXEVOARTFTWMOE-LUAWRHEFSA-N 0 0 395.484 3.545 50 10 GHCARN COc1cccc(CNC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 ZINC000004541430 211545388 /nfs/dbraw/zinc/54/53/88/211545388.db2.gz DPGBGEIWFQDDRE-UHFFFAOYSA-N 0 0 392.455 3.576 50 10 GHCARN O=S(=O)(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O ZINC000004248183 211537233 /nfs/dbraw/zinc/53/72/33/211537233.db2.gz FVFWVAXNHNTNGO-HXUWFJFHSA-N 0 0 378.453 3.932 50 10 GHCARN COc1ccc([C@@H]2CC(c3cc(Br)ccc3O)=NN2C(C)=O)cc1 ZINC000097104969 211356622 /nfs/dbraw/zinc/35/66/22/211356622.db2.gz PWARDDMHUPFRJP-KRWDZBQOSA-N 0 0 389.249 3.861 50 10 GHCARN CCN(C(C)=O)c1nc(C=C2SC(Nc3cccc(C)c3)=NC2=O)cs1 ZINC000096401380 211342004 /nfs/dbraw/zinc/34/20/04/211342004.db2.gz BTNIAUKHBNQODM-OQLLNIDSSA-N 0 0 386.502 3.907 50 10 GHCARN COc1cc2c(cc1OC)C[N@H+](Cc1c([O-])ccc3c(C)c(C)c(=O)oc31)CC2 ZINC000085876796 211178091 /nfs/dbraw/zinc/17/80/91/211178091.db2.gz HWIRARWBCYMOHO-UHFFFAOYSA-N 0 0 395.455 3.691 50 10 biogenic GHCARN COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)c2C)cc1 ZINC000020236415 210323772 /nfs/dbraw/zinc/32/37/72/210323772.db2.gz DNLALTUJLOLQLO-WYWZIVHKSA-N 0 0 376.416 3.553 50 10 GHCARN Cc1cccc(N2CCN(CN3C(=O)/C(=C\c4ccco4)SC3=S)CC2)c1 ZINC000020080777 210314843 /nfs/dbraw/zinc/31/48/43/210314843.db2.gz OYSFKYLDMGCQMO-QGOAFFKASA-N 0 0 399.541 3.569 50 10 GHCARN CCc1ccc([C@H]2CC(=O)NC(NC(=O)c3ccc(C(C)(C)C)cc3)=N2)cc1 ZINC000006817828 570284793 /nfs/dbraw/zinc/28/47/93/570284793.db2.gz ROEHFTWOKJSRCS-LJQANCHMSA-N 0 0 377.488 3.894 50 10 GHCARN O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2)N1c1ccc(O)cc1 ZINC000022171301 570306724 /nfs/dbraw/zinc/30/67/24/570306724.db2.gz CNQCXELZYFEBQH-XDHOZWIPSA-N 0 0 384.391 3.955 50 10 GHCARN COc1cccc(OCCOc2ccccc2C=C2SC(=S)NC2=O)c1 ZINC000002966212 570320924 /nfs/dbraw/zinc/32/09/24/570320924.db2.gz CRMFXTYCNCTQPO-GZTJUZNOSA-N 0 0 387.482 3.642 50 10 GHCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cccc(Br)c3)C2=N)S1 ZINC000004372466 570371916 /nfs/dbraw/zinc/37/19/16/570371916.db2.gz AFYMXKZIHRRRJQ-ZWGDPFMXSA-N 0 0 377.267 3.868 50 10 GHCARN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(N(C)C)cc1 ZINC000004741593 570400831 /nfs/dbraw/zinc/40/08/31/570400831.db2.gz LUVXYSQSPZEDJH-FQEVSTJZSA-N 0 0 376.460 3.954 50 10 GHCARN N=C1/C(=C\c2ccc(OC(=O)c3ccc(F)cc3)cc2)C(=O)N=C2SC=CN21 ZINC000033333370 570407228 /nfs/dbraw/zinc/40/72/28/570407228.db2.gz APBWMTSORKWQOV-YHIMZFEVSA-N 0 0 393.399 3.822 50 10 GHCARN COc1cc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc(OC)c1OC ZINC000005348908 570434971 /nfs/dbraw/zinc/43/49/71/570434971.db2.gz ANRMUWFOYNADFZ-UHFFFAOYSA-N 0 0 397.427 3.792 50 10 GHCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(C(=O)N(C)C)cc1 ZINC000005575875 570447468 /nfs/dbraw/zinc/44/74/68/570447468.db2.gz DDBCDTKBGRIJTH-PDGQHHTCSA-N 0 0 382.851 3.760 50 10 GHCARN COc1ccc(N(C)CN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000005319510 570553069 /nfs/dbraw/zinc/55/30/69/570553069.db2.gz QOEGADVAYORKTK-VCHYOVAHSA-N 0 0 398.440 3.554 50 10 GHCARN COc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)c(OC)c1 ZINC000005345324 570560602 /nfs/dbraw/zinc/56/06/02/570560602.db2.gz CJDUZDFJOHELSM-UHFFFAOYSA-N 0 0 379.412 3.655 50 10 GHCARN CC[C@@H]1CCCCN1C(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000005370746 570568334 /nfs/dbraw/zinc/56/83/34/570568334.db2.gz PIWBHHSUEATUDO-MLJWKTOOSA-N 0 0 378.519 3.662 50 10 GHCARN Cc1ccc(C(C)C)cc1OCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000012637387 570932011 /nfs/dbraw/zinc/93/20/11/570932011.db2.gz URNTVYFSYVMROO-UHFFFAOYSA-N 0 0 396.531 3.992 50 10 GHCARN Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1-c1ccccc1 ZINC000003352935 862360703 /nfs/dbraw/zinc/36/07/03/862360703.db2.gz ICPHBOIKYFVFQL-UHFFFAOYSA-N 0 0 376.243 3.841 50 10 GHCARN Cc1cc(C(=O)COC(=O)c2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000003398598 862386414 /nfs/dbraw/zinc/38/64/14/862386414.db2.gz RENOFQFCXYWWLU-UHFFFAOYSA-N 0 0 377.396 3.863 50 10 GHCARN COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C=CSC4=NC3=O)c2C)cc1 ZINC000003868545 862617965 /nfs/dbraw/zinc/61/79/65/862617965.db2.gz RQNBUFFQKMPEJB-WAHGPNOUSA-N 0 0 378.457 3.880 50 10 GHCARN CO[C@H]1CCOC2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)C1 ZINC000169773078 859769324 /nfs/dbraw/zinc/76/93/24/859769324.db2.gz PCBWDXVNLNHFHY-NRFANRHFSA-N 0 0 382.504 3.894 50 10 GHCARN O=C(NN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccc(Cl)cc1 ZINC000002258357 860462520 /nfs/dbraw/zinc/46/25/20/860462520.db2.gz OLTXWQJXYQZUDA-WQLSENKSSA-N 0 0 380.903 3.948 50 10 GHCARN CCN(CC)c1ccc(C=c2sc3nnc(-c4ccccc4C)n3c2=O)cc1 ZINC000252671793 864794277 /nfs/dbraw/zinc/79/42/77/864794277.db2.gz OHBSLURBCZIRKJ-UHFFFAOYSA-N 0 0 390.512 3.520 50 10 aggregator GHCARN Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)c3ccco3)C2)c(C)n1-c1ccccc1 ZINC000828145189 865212624 /nfs/dbraw/zinc/21/26/24/865212624.db2.gz KGBDXQFTEBJLIZ-GOSISDBHSA-N 0 0 391.471 3.722 50 10 GHCARN CN1C(=O)/C(=C\c2nc(-c3ccccc3)nn2-c2ccccc2)SC1=S ZINC000027562190 900337476 /nfs/dbraw/zinc/33/74/76/900337476.db2.gz MVJPHXCCTLMFLW-NTCAYCPXSA-N 0 0 378.482 3.765 50 10 GHCARN CCN1C(=O)/C(=C\c2ccccc2I)SC1=S ZINC000005857852 903452035 /nfs/dbraw/zinc/45/20/35/903452035.db2.gz OTTJTHDZAGKDHG-JXMROGBWSA-N 0 0 375.256 3.512 50 10 GHCARN COc1ccc(N2CCN(C(=O)CSC/C=C/c3ccccc3)CC2)cc1 ZINC000007058696 918402079 /nfs/dbraw/zinc/40/20/79/918402079.db2.gz YFZNSNSSZHQBJB-VMPITWQZSA-N 0 0 382.529 3.790 50 10 GHCARN Cc1cc(C2=NNC(=NC[C@@H]3CCCO3)SC2)c(C)n1-c1ccc(F)cc1 ZINC000007985348 920812919 /nfs/dbraw/zinc/81/29/19/920812919.db2.gz CZZJXSDVDWQZIW-KRWDZBQOSA-N 0 0 386.496 3.809 50 10 GHCARN CC(C)CCNC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000011641366 209876843 /nfs/dbraw/zinc/87/68/43/209876843.db2.gz HAPBQUOUOZCFMA-SFHVURJKSA-N 0 0 387.549 3.984 50 10 GHCARN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O ZINC000004675423 209509263 /nfs/dbraw/zinc/50/92/63/209509263.db2.gz NRZJQXUDQHOYLE-ZCWPUFOUSA-N 0 0 388.558 3.975 50 10 GHCARN CN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N(C)C1=O ZINC000002844925 209391488 /nfs/dbraw/zinc/39/14/88/209391488.db2.gz RZJJBJDFCOBDRO-UHFFFAOYSA-N 0 0 379.199 3.687 50 10 GHCARN Cn1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc21 ZINC000002411988 209362272 /nfs/dbraw/zinc/36/22/72/209362272.db2.gz ZMPADSUMTCEDHR-GZTJUZNOSA-N 0 0 393.493 3.725 50 10 GHCARN O=C(NN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)c1ccccc1Cl ZINC000001216448 209314441 /nfs/dbraw/zinc/31/44/41/209314441.db2.gz MDIKVIAGMVIASR-ZROIWOOFSA-N 0 0 390.873 3.592 50 10 GHCARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(N(C)C)cc2)cc1Cl ZINC000001192180 209312090 /nfs/dbraw/zinc/31/20/90/209312090.db2.gz XFBPFLOVVPXCLR-IBGZPJMESA-N 0 0 398.894 3.981 50 10 GHCARN COc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccccc1F ZINC000001149747 209307036 /nfs/dbraw/zinc/30/70/36/209307036.db2.gz XXRBOVUCNVIBDV-OQLLNIDSSA-N 0 0 389.429 3.542 50 10 GHCARN COC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C)cc1 ZINC000000924732 209279610 /nfs/dbraw/zinc/27/96/10/209279610.db2.gz ZBIPTBSDOCKRFD-UHFFFAOYSA-N 0 0 381.457 3.605 50 10 GHCARN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000000660187 209256371 /nfs/dbraw/zinc/25/63/71/209256371.db2.gz AQNARJZFYXGEEQ-PDGQHHTCSA-N 0 0 379.412 3.581 50 10 GHCARN COc1cc(-c2c3cnn(C)c3nc3c4ccc(O)cc4oc32)cc(O)c1O ZINC000253412678 209218878 /nfs/dbraw/zinc/21/88/78/209218878.db2.gz RRXKDSUOCXUGIA-UHFFFAOYSA-N 0 0 377.356 3.660 50 10 biogenic GHCARN Cc1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c(C)n1-c1ccccc1 ZINC000024320263 211793352 /nfs/dbraw/zinc/79/33/52/211793352.db2.gz QQMRPDILDUJTQT-UHFFFAOYSA-N 0 0 378.432 3.844 50 10 GHCARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1ccc(C(=O)OC)cc1 ZINC000100208162 211604027 /nfs/dbraw/zinc/60/40/27/211604027.db2.gz UKMVUPTUCKHQLW-XMHGGMMESA-N 0 0 391.423 3.741 50 10 GHCARN CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 ZINC000004291564 211539310 /nfs/dbraw/zinc/53/93/10/211539310.db2.gz ZAWFGMLFIUCERG-YBEGLDIGSA-N 0 0 399.453 3.959 50 10 GHCARN O=C1c2oc3c(ccc4c3CN(C[C@@H]3CCCO3)CO4)c2C(=O)c2ccccc21 ZINC000049563737 211459754 /nfs/dbraw/zinc/45/97/54/211459754.db2.gz WSCPPQUBHLUYHW-ZDUSSCGKSA-N 0 0 389.407 3.539 50 10 GHCARN COc1ccc(Nc2nnc(SCC(=O)c3ccc(O)c(O)c3)s2)cc1 ZINC000089453740 211182559 /nfs/dbraw/zinc/18/25/59/211182559.db2.gz BIBLMWJIERRLRY-UHFFFAOYSA-N 0 0 389.458 3.677 50 10 GHCARN Cc1ccc(C)n1-c1ccc(C(=O)Nn2c(C)nc3sccc3c2=O)cc1 ZINC000057635522 210901193 /nfs/dbraw/zinc/90/11/93/210901193.db2.gz ZHFKSWMBRNYPEY-UHFFFAOYSA-N 0 0 378.457 3.558 50 10 GHCARN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000029973572 210552890 /nfs/dbraw/zinc/55/28/90/210552890.db2.gz BSILNSMCLQCUHG-UHFFFAOYSA-N 0 0 397.884 3.525 50 10 GHCARN COc1cccc([C@H](CC(=O)NCc2ccc(N(C)C)cc2)n2cccc2)c1 ZINC000020998555 210372952 /nfs/dbraw/zinc/37/29/52/210372952.db2.gz XFPXNUPVRXUSQH-QFIPXVFZSA-N 0 0 377.488 3.859 50 10 GHCARN COc1ccc([C@@H](CC(=O)NCc2ccc(N(C)C)cc2)n2cccc2)cc1 ZINC000020997650 210372389 /nfs/dbraw/zinc/37/23/89/210372389.db2.gz IIKVQPLFQANTPU-JOCHJYFZSA-N 0 0 377.488 3.859 50 10 GHCARN CCCCOc1ccc(C(=O)NC2=N[C@H](c3ccc(CC)cc3)CC(=O)N2)cc1 ZINC000020924439 210368309 /nfs/dbraw/zinc/36/83/09/210368309.db2.gz HOCVAEHUPGJIOQ-FQEVSTJZSA-N 0 0 393.487 3.775 50 10 GHCARN O=C1N=C(N2CCN(Cc3ccc(F)cc3)CC2)S/C1=C\c1ccccc1 ZINC000020607129 210352337 /nfs/dbraw/zinc/35/23/37/210352337.db2.gz BACVKJAHFUEWRO-RGEXLXHISA-N 0 0 381.476 3.614 50 10 GHCARN C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(Cn4cccn4)o3)cc2)C1 ZINC000216236630 570297713 /nfs/dbraw/zinc/29/77/13/570297713.db2.gz PVXDOLNLJGUPTB-KRWDZBQOSA-N 0 0 378.476 3.691 50 10 GHCARN Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000004082063 570357016 /nfs/dbraw/zinc/35/70/16/570357016.db2.gz LJFNUDGBTCIGAF-UHFFFAOYSA-N 0 0 393.487 3.825 50 10 GHCARN COc1ccc(N2CCN(c3cc(N4CCCC4)ccc3[N+](=O)[O-])CC2)cc1 ZINC000004143416 570359514 /nfs/dbraw/zinc/35/95/14/570359514.db2.gz ZAUVVIJJXLKREQ-UHFFFAOYSA-N 0 0 382.464 3.530 50 10 GHCARN O=C(NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000004310057 570367221 /nfs/dbraw/zinc/36/72/21/570367221.db2.gz SCTIOOPXWHZGGS-UHFFFAOYSA-N 0 0 386.432 3.589 50 10 GHCARN CC1=CC2=NC(=O)/C(=C\c3ccc(OC(=O)c4cccc(C)c4)cc3)C(=N)N2O1 ZINC000005013764 570395719 /nfs/dbraw/zinc/39/57/19/570395719.db2.gz QIRPPSJQYLTOHK-PBOWYIGHSA-N 0 0 387.395 3.665 50 10 GHCARN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCC(C)(C)N2CCOCC2)c1 ZINC000024928449 570398830 /nfs/dbraw/zinc/39/88/30/570398830.db2.gz SWRVERIUTQOUJE-UHFFFAOYSA-N 0 0 389.927 3.588 50 10 GHCARN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccn1 ZINC000004746541 570401876 /nfs/dbraw/zinc/40/18/76/570401876.db2.gz RWPFHTRNUIWMEW-ACCUITESSA-N 0 0 389.527 3.763 50 10 GHCARN COc1ccc(CCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1OC ZINC000005551828 570445454 /nfs/dbraw/zinc/44/54/54/570445454.db2.gz VIEAWYNYPSGKPA-LFIBNONCSA-N 0 0 375.471 3.741 50 10 GHCARN Cc1nc(Nc2cccc(C)n2)sc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000065306288 570789829 /nfs/dbraw/zinc/78/98/29/570789829.db2.gz ZXTWBFAYUSSHMC-UHFFFAOYSA-N 0 0 381.505 3.895 50 10 GHCARN CN(C)c1ccc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc1Br ZINC000001182375 570791877 /nfs/dbraw/zinc/79/18/77/570791877.db2.gz ODPFYUWXEUCHER-UHFFFAOYSA-N 0 0 396.281 3.761 50 10 GHCARN CCOc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1Br ZINC000004501765 570816919 /nfs/dbraw/zinc/81/69/19/570816919.db2.gz BZWCWPBHPKKZKQ-UHFFFAOYSA-N 0 0 395.249 3.992 50 10 GHCARN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000004696429 570841433 /nfs/dbraw/zinc/84/14/33/570841433.db2.gz DCFLPVFWHDOWJA-MOSHPQCFSA-N 0 0 377.440 3.876 50 10 GHCARN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCCCCC1 ZINC000047065436 570939341 /nfs/dbraw/zinc/93/93/41/570939341.db2.gz SCCHFSYKIACPHO-UHFFFAOYSA-N 0 0 385.430 3.628 50 10 GHCARN CCN(CC)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)C2CC2)cc1 ZINC000004732560 570947473 /nfs/dbraw/zinc/94/74/73/570947473.db2.gz ICTYGAGACWWAIX-UHFFFAOYSA-N 0 0 390.491 3.849 50 10 GHCARN Cc1cc(C)c2c(N)c(C(=O)O[C@H](C(=O)NC3CC3)c3ccccc3)sc2n1 ZINC000010645211 570954146 /nfs/dbraw/zinc/95/41/46/570954146.db2.gz LYPIWNKTUHQIGR-KRWDZBQOSA-N 0 0 395.484 3.672 50 10 GHCARN COc1ccc(-c2nnc([C@@H](C)N3CCN(c4ccc(OC)cc4)CC3)o2)cc1 ZINC000057845275 862261068 /nfs/dbraw/zinc/26/10/68/862261068.db2.gz OZHNBAACQBFICA-MRXNPFEDSA-N 0 0 394.475 3.637 50 10 GHCARN Cc1cc(C(=O)OCC(=O)N(C)Cc2ccccc2)c(C)n1-c1ccccc1 ZINC000003460669 862431621 /nfs/dbraw/zinc/43/16/21/862431621.db2.gz YRLUUSCXJYOIKM-UHFFFAOYSA-N 0 0 376.456 3.910 50 10 GHCARN COc1cc(Br)cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c1O ZINC000007886341 879733974 /nfs/dbraw/zinc/73/39/74/879733974.db2.gz TYSDTEMBWOVZTR-KRWDZBQOSA-N 0 0 389.249 3.892 50 10 GHCARN CC(C)C(=O)O[C@@H](C)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O ZINC000007814562 883730146 /nfs/dbraw/zinc/73/01/46/883730146.db2.gz KPOHDXZSDHEAOV-NSHDSACASA-N 0 0 399.830 3.642 50 10 GHCARN COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)c2C)c1 ZINC000041108118 896016331 /nfs/dbraw/zinc/01/63/31/896016331.db2.gz AJLATQCKIYRCIG-GSTYNNIKSA-N 0 0 393.472 3.742 50 10 GHCARN COc1ccc(N2CCN(Cc3ccc(F)c(Br)c3)CC2)cc1 ZINC000055543445 924045861 /nfs/dbraw/zinc/04/58/61/924045861.db2.gz MIBWFFIQTFAIJR-UHFFFAOYSA-N 0 0 379.273 3.919 50 10 GHCARN O=C(/C=C\c1ccc(N2CCCCCC2)cc1)N1CCN(c2ccccn2)CC1 ZINC000097997357 1021160388 /nfs/dbraw/zinc/16/03/88/1021160388.db2.gz PCNWNVXGGMCZBW-RAXLEYEMSA-N 0 0 390.531 3.824 50 10 GHCARN COc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000016719200 210194992 /nfs/dbraw/zinc/19/49/92/210194992.db2.gz JDTZVSGBHUBOLI-RVDMUPIBSA-N 0 0 388.470 3.518 50 10 GHCARN O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000013712793 210082870 /nfs/dbraw/zinc/08/28/70/210082870.db2.gz HIROVLNEBLWMHZ-YFBAIUBQSA-N 0 0 384.320 3.829 50 10 GHCARN Cc1cc(C)cc(OCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1 ZINC000012062722 209904892 /nfs/dbraw/zinc/90/48/92/209904892.db2.gz XJHSPSZSQIYXOE-JOCHJYFZSA-N 0 0 396.531 3.956 50 10 GHCARN O=C1c2ccccc2N[C@@H](c2cccc(O)c2O)N1c1ccc2c(c1)OCCO2 ZINC000008774431 209802550 /nfs/dbraw/zinc/80/25/50/209802550.db2.gz AYRBMCZQABJOEM-OAQYLSRUSA-N 0 0 390.395 3.640 50 10 GHCARN COCCN(Cc1ccccc1)C(=O)CSc1ncc(-c2ccccc2)n1C ZINC000007210740 209722813 /nfs/dbraw/zinc/72/28/13/209722813.db2.gz YPIHAEGLXPQFEO-UHFFFAOYSA-N 0 0 395.528 3.854 50 10 GHCARN Cc1c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cccc1[N+](=O)[O-] ZINC000005092587 209569852 /nfs/dbraw/zinc/56/98/52/209569852.db2.gz BYCWDWSYOKUKMJ-UHFFFAOYSA-N 0 0 386.363 3.931 50 10 GHCARN COc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OC ZINC000004577894 209500052 /nfs/dbraw/zinc/50/00/52/209500052.db2.gz AMLSQICTYRIRTK-UHFFFAOYSA-N 0 0 387.391 3.732 50 10 biogenic GHCARN CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)C1=O ZINC000004472488 209488038 /nfs/dbraw/zinc/48/80/38/209488038.db2.gz AXKFJJUAQNIUNN-XNTDXEJSSA-N 0 0 388.265 3.769 50 10 GHCARN COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(F)cc1 ZINC000002119429 209347488 /nfs/dbraw/zinc/34/74/88/209347488.db2.gz FBWUKRHOPLWAPA-CXUHLZMHSA-N 0 0 375.446 3.902 50 10 GHCARN COc1ccc(C2=C/C(=C/c3ccc(I)o3)C(=O)O2)cc1 ZINC000001199460 209313693 /nfs/dbraw/zinc/31/36/93/209313693.db2.gz GKHUHVRMDQPMTO-FLIBITNWSA-N 0 0 394.164 3.874 50 10 GHCARN CCOC(=O)[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(Cl)cc3)S2)C1 ZINC000001068620 209297285 /nfs/dbraw/zinc/29/72/85/209297285.db2.gz LLFQUIJEQNOOTM-NWFCWYBLSA-N 0 0 378.881 3.585 50 10 GHCARN COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccccc1F ZINC000001024243 209290572 /nfs/dbraw/zinc/29/05/72/209290572.db2.gz DAOSQSCQJNLLGL-CXUHLZMHSA-N 0 0 375.446 3.902 50 10 GHCARN CN(C)c1ccc(/C=C2\SC(=O)N(CNc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000034690795 209183020 /nfs/dbraw/zinc/18/30/20/209183020.db2.gz NOWZYYYUKARTHZ-YVLHZVERSA-N 0 0 398.444 3.767 50 10 GHCARN COc1cc(C=C2C(C)=NN(c3ccc(C(C)=O)cc3)C2=O)cc(OC)c1OC ZINC000004477121 212065020 /nfs/dbraw/zinc/06/50/20/212065020.db2.gz AGOVIKYMDUCUNB-VCHYOVAHSA-N 0 0 394.427 3.721 50 10 GHCARN COC(=O)Cc1c(C)c2cc(Cl)c([O-])c(C[NH2+]C3CCCCC3)c2oc1=O ZINC000020650204 210356084 /nfs/dbraw/zinc/35/60/84/210356084.db2.gz NONCHDNZRKZXNH-UHFFFAOYSA-N 0 0 393.867 3.598 50 10 GHCARN COc1ccc(/C=C2\SC(N3CCN(c4ccc(C)cc4)CC3)=NC2=O)cc1 ZINC000001471431 136193302 /nfs/dbraw/zinc/19/33/02/136193302.db2.gz OQFPBSNRSDEJHY-HKWRFOASSA-N 0 0 393.512 3.796 50 10 GHCARN COc1ccc(N2CCN(Cc3ccc(OC)c(Br)c3)CC2)cc1 ZINC000000755549 524430475 /nfs/dbraw/zinc/43/04/75/524430475.db2.gz MSFKZSBQEGCURU-UHFFFAOYSA-N 0 0 391.309 3.789 50 10 GHCARN C[NH+](C)Cc1c([O-])ccc2c(=O)c(Oc3cnn(-c4ccccc4)c3)coc21 ZINC000000625506 570211470 /nfs/dbraw/zinc/21/14/70/570211470.db2.gz FZQSSYLBWOGJLS-UHFFFAOYSA-N 0 0 377.400 3.538 50 10 GHCARN Cc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(F)cc32)cc1 ZINC000048988577 570256704 /nfs/dbraw/zinc/25/67/04/570256704.db2.gz MKDTZMQCIIPPRG-UHFFFAOYSA-N 0 0 386.448 3.523 50 10 GHCARN [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cc(Br)cc(Cl)c2[O-])N1 ZINC000575442911 570313184 /nfs/dbraw/zinc/31/31/84/570313184.db2.gz XTSYOQCKHCUKRI-ZDUSSCGKSA-N 0 0 392.644 3.655 50 10 GHCARN CC1=CC2=NC(=O)/C(=C\c3cccn3CCOc3ccc(C)c(C)c3)C(=N)N2O1 ZINC000005013916 570396487 /nfs/dbraw/zinc/39/64/87/570396487.db2.gz SACPACQSXOMRGR-CUVVSLBBSA-N 0 0 390.443 3.634 50 10 GHCARN CCn1cc(C=C2C(=O)NC(=S)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000006395909 570404651 /nfs/dbraw/zinc/40/46/51/570404651.db2.gz RENAHQJEPWBXKA-SFQUDFHCSA-N 0 0 381.501 3.621 50 10 GHCARN CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@@H]2CCC[C@H]2C)cc1 ZINC000239338894 570429405 /nfs/dbraw/zinc/42/94/05/570429405.db2.gz LJSNHZXUZXRBAV-DJKXOVBDSA-N 0 0 385.508 3.893 50 10 GHCARN N=C1/C(=C\c2ccc3c(c2)OCO3)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000001833309 570436784 /nfs/dbraw/zinc/43/67/84/570436784.db2.gz QRZHBNVAYOVIBJ-PSIQRRQCSA-N 0 0 375.409 3.720 50 10 GHCARN CC1=NN(c2ccc(C(=O)NCc3ccc(N4CCSCC4)cc3)cc2)CC1 ZINC000054037677 570438082 /nfs/dbraw/zinc/43/80/82/570438082.db2.gz WVSMWIJORWNWCZ-UHFFFAOYSA-N 0 0 394.544 3.756 50 10 GHCARN C[C@H](c1ccccc1)N1C(=O)/C(=C2\c3ccccc3N(C)C2=O)SC1=S ZINC000005721082 570453104 /nfs/dbraw/zinc/45/31/04/570453104.db2.gz ONPNDEQACZJUMX-WGKGOADCSA-N 0 0 380.494 3.996 50 10 GHCARN O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1c1ccccc1 ZINC000004562023 570889437 /nfs/dbraw/zinc/88/94/37/570889437.db2.gz NSXHZFZGHPTBKF-NBVRZTHBSA-N 0 0 382.510 3.929 50 10 GHCARN CC(=O)N(c1nc(/C=C2/SC(=S)N(C)C2=O)cs1)c1ccccc1F ZINC000025059556 852032729 /nfs/dbraw/zinc/03/27/29/852032729.db2.gz FNGBPYYIARPOEP-NTUHNPAUSA-N 0 0 393.490 3.798 50 10 GHCARN CN(C)c1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000008170925 856033982 /nfs/dbraw/zinc/03/39/82/856033982.db2.gz NUXGXWFHPURIBR-UHFFFAOYSA-N 0 0 397.482 3.930 50 10 GHCARN Cc1cc([O-])c(C[NH+]2CCN(c3ccc(F)cc3)CC2)c2oc(=O)cc(C)c12 ZINC000008587314 856275410 /nfs/dbraw/zinc/27/54/10/856275410.db2.gz BMDBQRSHFAJNSU-UHFFFAOYSA-N 0 0 382.435 3.577 50 10 GHCARN O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)NC1CCCC1 ZINC000008708959 856325338 /nfs/dbraw/zinc/32/53/38/856325338.db2.gz LPCDITRAYFTNPF-GOSISDBHSA-N 0 0 385.533 3.880 50 10 GHCARN C[C@H]1CN(C2=NC(=O)/C(=C/c3cccc(Br)c3)S2)C[C@H](C)O1 ZINC000039404220 856425445 /nfs/dbraw/zinc/42/54/45/856425445.db2.gz LLFMTYDCNKDIDJ-ZCJISOJFSA-N 0 0 381.295 3.529 50 10 GHCARN COC(=O)c1cc(-c2ccc(C=C3SC(=S)NC3=O)o2)ccc1Cl ZINC000016194059 210186552 /nfs/dbraw/zinc/18/65/52/210186552.db2.gz GOETUEVFBJHTIO-QPEQYQDCSA-N 0 0 379.846 3.875 50 10 GHCARN COc1cc(/C=C2\SC(=S)N(C3CCCC3)C2=O)cc(OC)c1OC ZINC000013787407 210089257 /nfs/dbraw/zinc/08/92/57/210089257.db2.gz XBVYDJWATISBOU-GDNBJRDFSA-N 0 0 379.503 3.856 50 10 GHCARN CC1=NN(c2ccccc2)C(=O)/C1=C1/C(=O)Nc2ccc(Br)cc21 ZINC000013689142 210080222 /nfs/dbraw/zinc/08/02/22/210080222.db2.gz OANRGMPHFRLJNE-FOCLMDBBSA-N 0 0 382.217 3.578 50 10 GHCARN O=C(COc1ccccc1F)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000006476160 209652339 /nfs/dbraw/zinc/65/23/39/209652339.db2.gz KNYLELRVKYPDJA-UHFFFAOYSA-N 0 0 375.355 3.619 50 10 GHCARN O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1c1ccc2c(c1)OCCO2 ZINC000003325540 209424555 /nfs/dbraw/zinc/42/45/55/209424555.db2.gz DWEYKNWBJSXKRV-IUXPMGMMSA-N 0 0 399.449 3.592 50 10 GHCARN Cc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c(C)n1-c1ccccc1 ZINC000003318679 209422698 /nfs/dbraw/zinc/42/26/98/209422698.db2.gz IPTXKZWUQWVNAR-UHFFFAOYSA-N 0 0 392.411 3.618 50 10 GHCARN O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(O)c1 ZINC000001902651 209342367 /nfs/dbraw/zinc/34/23/67/209342367.db2.gz AAMBYTNNYPRBFK-UVTDQMKNSA-N 0 0 390.511 3.684 50 10 GHCARN CC1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 ZINC000001218107 209316053 /nfs/dbraw/zinc/31/60/53/209316053.db2.gz MHOMSORAFNFTOU-QINSGFPZSA-N 0 0 394.587 3.988 50 10 GHCARN O=C1/C(=C\c2cc3c(c(Cl)c2)OCO3)SC(=S)N1c1cccnc1 ZINC000096843517 209241788 /nfs/dbraw/zinc/24/17/88/209241788.db2.gz WWBXNQHAALGVQK-AWNIVKPZSA-N 0 0 376.846 3.870 50 10 GHCARN CCCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCOCC2)SC1=S ZINC000020310807 210326596 /nfs/dbraw/zinc/32/65/96/210326596.db2.gz SAYDRWORYZANCW-LGMDPLHJSA-N 0 0 399.541 3.683 50 10 GHCARN O=C1c2oc3c(ccc4c3CN(Cc3ccccn3)CO4)c2C(=O)c2ccccc21 ZINC000019863950 210304184 /nfs/dbraw/zinc/30/41/84/210304184.db2.gz RGCDNJSMYYQKOU-UHFFFAOYSA-N 0 0 396.402 3.955 50 10 GHCARN COc1ccc(N2CCOCC2)c(NC(=O)CSc2ccc(Cl)cc2)c1 ZINC000007496664 536704802 /nfs/dbraw/zinc/70/48/02/536704802.db2.gz PRBCLTVCSDYJRC-UHFFFAOYSA-N 0 0 392.908 3.916 50 10 GHCARN Cn1ccc(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1=O ZINC000053709519 570337001 /nfs/dbraw/zinc/33/70/01/570337001.db2.gz KDKZSWNKIRLLRW-SFHVURJKSA-N 0 0 381.501 3.720 50 10 GHCARN Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000004663404 570390897 /nfs/dbraw/zinc/39/08/97/570390897.db2.gz VWCCQQJQLJCFST-LDADJPATSA-N 0 0 395.528 3.648 50 10 GHCARN CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C(=O)OC)c2C)C1=O ZINC000004687784 570393271 /nfs/dbraw/zinc/39/32/71/570393271.db2.gz MRSMYWHKGJPIBN-GZTJUZNOSA-N 0 0 384.457 3.937 50 10 GHCARN CC(=O)N1c2ccccc2C(=C2SC(Nc3cccc(C)c3C)=NC2=O)C1=O ZINC000005521741 570444210 /nfs/dbraw/zinc/44/42/10/570444210.db2.gz DCZKIMFSQNTEFM-ZCXUNETKSA-N 0 0 391.452 3.649 50 10 GHCARN COc1ccc(C2=C/C(=C\c3cc(OC)c(OC)c(OC)c3)C(=O)O2)cc1OC ZINC000033922182 570507335 /nfs/dbraw/zinc/50/73/35/570507335.db2.gz GZYPYNDTBBPYPD-OVCLIPMQSA-N 0 0 398.411 3.711 50 10 GHCARN Cc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1ccccc1F ZINC000034808504 570544329 /nfs/dbraw/zinc/54/43/29/570544329.db2.gz FCMZKFOPNDJIHF-PBGDOYKQSA-N 0 0 381.436 3.872 50 10 GHCARN Cc1ccc(C2=N/C(=C/c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000006912415 570699626 /nfs/dbraw/zinc/69/96/26/570699626.db2.gz JMRNXPMRAMQINX-SFQUDFHCSA-N 0 0 377.400 3.848 50 10 GHCARN COc1ccc(N(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)C(C)C)cc1F ZINC000058311170 570726786 /nfs/dbraw/zinc/72/67/86/570726786.db2.gz WWNYQSGOOZSAJT-HNNXBMFYSA-N 0 0 399.466 3.813 50 10 GHCARN CC[C@@]12OC(=N)[C@@](C#N)([C@H]1C)C(C#N)(C#N)[C@@H](c1ccc(Br)cc1)O2 ZINC000005902135 570802688 /nfs/dbraw/zinc/80/26/88/570802688.db2.gz PJDMWSIYHHJOAQ-PDLPPMLWSA-N 0 0 399.248 3.814 50 10 GHCARN Cn1c(-c2ccccc2)cnc1SCCCN1C(=O)c2ccccc2C1=O ZINC000036775380 570811520 /nfs/dbraw/zinc/81/15/20/570811520.db2.gz GGYHNKRIEILAFK-UHFFFAOYSA-N 0 0 377.469 3.866 50 10 GHCARN CCN(CC)c1ccc(CN(C)C(=O)c2nn(CC)c(=O)c3ccccc32)cc1 ZINC000012536376 570836706 /nfs/dbraw/zinc/83/67/06/570836706.db2.gz ORJGYAQGSBUUPK-UHFFFAOYSA-N 0 0 392.503 3.535 50 10 GHCARN Cc1cc(C(=O)COc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000005711299 570864929 /nfs/dbraw/zinc/86/49/29/570864929.db2.gz VCEJBFMJOFEJES-UHFFFAOYSA-N 0 0 394.383 3.993 50 10 GHCARN CCC[C@H]1CCc2c(sc(NC(=O)CCC(=O)OC)c2C(=O)OCC)C1 ZINC000022330695 570886205 /nfs/dbraw/zinc/88/62/05/570886205.db2.gz UINBGTUKVPNJLJ-LBPRGKRZSA-N 0 0 381.494 3.722 50 10 GHCARN Cc1cc(C(=O)Nc2cncc(-c3nncn3C)c2)c(C)n1-c1cccc(F)c1 ZINC000162322200 861609669 /nfs/dbraw/zinc/60/96/69/861609669.db2.gz OVMAORQLWFRYJX-UHFFFAOYSA-N 0 0 390.422 3.676 50 10 GHCARN Cc1cc(C(=O)[C@H](C)OC(=O)C2=COCCO2)c(C)n1-c1ccc(Cl)cc1 ZINC000003545492 862482799 /nfs/dbraw/zinc/48/27/99/862482799.db2.gz QAOGACSISNJOKR-AWEZNQCLSA-N 0 0 389.835 3.750 50 10 GHCARN CCN(CC)c1ccc(CN(C)C(=O)c2nn(-c3ccccc3)cc2OC)cc1 ZINC000009932505 857378743 /nfs/dbraw/zinc/37/87/43/857378743.db2.gz FNSUPNRSGALXDO-UHFFFAOYSA-N 0 0 392.503 3.999 50 10 GHCARN CC1=NN(CCc2nc(-c3ccccc3)cs2)C(=O)/C1=C1/CCCCCN1 ZINC000103435599 904433516 /nfs/dbraw/zinc/43/35/16/904433516.db2.gz UIRXNZGGFVRAOI-JZJYNLBNSA-N 0 0 380.517 3.988 50 10 GHCARN O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1nccs1 ZINC000016764722 210196812 /nfs/dbraw/zinc/19/68/12/210196812.db2.gz OJBIPNGSSCVXDR-XFFZJAGNSA-N 0 0 395.918 3.636 50 10 GHCARN CCc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccnc3)C2=O)cc1 ZINC000015746466 210167122 /nfs/dbraw/zinc/16/71/22/210167122.db2.gz IZBZZMZLSUFGPU-SFQUDFHCSA-N 0 0 397.525 3.874 50 10 GHCARN COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3)C2=O)cc1 ZINC000015222327 210154086 /nfs/dbraw/zinc/15/40/86/210154086.db2.gz FVRASSICSUVZHI-WJDWOHSUSA-N 0 0 384.482 3.535 50 10 GHCARN COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000013601117 210070692 /nfs/dbraw/zinc/07/06/92/210070692.db2.gz HPUGWKNZOKZEFC-LFIBNONCSA-N 0 0 384.482 3.550 50 10 GHCARN O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccnc1 ZINC000013518569 210065715 /nfs/dbraw/zinc/06/57/15/210065715.db2.gz CJWHICZIIUVMSL-KCTVJHQVSA-N 0 0 395.509 3.868 50 10 aggregator GHCARN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2)C1=O ZINC000006325336 209642294 /nfs/dbraw/zinc/64/22/94/209642294.db2.gz QXFLNYUEGZBGJI-HKJJFUAXSA-N 0 0 376.478 3.521 50 10 GHCARN COc1ccc(CN2C(=O)/C(=C\c3ccc([N+](=O)[O-])o3)SC2=S)cc1 ZINC000004949455 209550569 /nfs/dbraw/zinc/55/05/69/209550569.db2.gz QHNMRHNFZSBQTA-MDWZMJQESA-N 0 0 376.415 3.598 50 10 GHCARN CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 ZINC000001188769 209311708 /nfs/dbraw/zinc/31/17/08/209311708.db2.gz AQNVWCXDNVGWIF-GOSISDBHSA-N 0 0 384.867 3.673 50 10 GHCARN COc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C)c(OC)c1 ZINC000000886481 209276478 /nfs/dbraw/zinc/27/64/78/209276478.db2.gz DDMJGFNRBUIGCF-UHFFFAOYSA-N 0 0 383.473 3.835 50 10 GHCARN Cc1cc2c(n1-c1cccc(S(=O)(=O)N3CCCCCC3)c1)CCCC2=O ZINC000009186014 209249544 /nfs/dbraw/zinc/24/95/44/209249544.db2.gz PVIDSBMRZOAFQC-UHFFFAOYSA-N 0 0 386.517 3.869 50 10 GHCARN Cc1cc(/C=C\C(=O)N2CCC3(CC2)OCCO3)c(C)n1-c1ccc(C)cc1 ZINC000096291422 209240120 /nfs/dbraw/zinc/24/01/20/209240120.db2.gz GCCGOBBMCYMTGH-TWGQIWQCSA-N 0 0 380.488 3.781 50 10 GHCARN Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100507682 211385978 /nfs/dbraw/zinc/38/59/78/211385978.db2.gz KLAKDXNHACAHTO-LICLKQGHSA-N 0 0 395.375 3.838 50 10 GHCARN O=C1/C(=C/c2cnc3ccccc3n2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000054361195 210877146 /nfs/dbraw/zinc/87/71/46/210877146.db2.gz ZPYCXNHGFKZRLA-IDUWFGFVSA-N 0 0 393.449 3.764 50 10 GHCARN Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(N4CCCC4)cc3)c12 ZINC000036617425 210730812 /nfs/dbraw/zinc/73/08/12/210730812.db2.gz MEUDMYTVMXSLFP-UHFFFAOYSA-N 0 0 376.460 3.939 50 10 GHCARN COc1ccc([C@H](CC(=O)NCc2ccc(N(C)C)cc2)n2cccc2)cc1 ZINC000020997651 210373206 /nfs/dbraw/zinc/37/32/06/210373206.db2.gz IIKVQPLFQANTPU-QFIPXVFZSA-N 0 0 377.488 3.859 50 10 GHCARN COc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccccc1F ZINC000020921923 210368900 /nfs/dbraw/zinc/36/89/00/210368900.db2.gz XXRBOVUCNVIBDV-DHDCSXOGSA-N 0 0 389.429 3.542 50 10 GHCARN COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4C=CSC4=NC3=O)c2C)c1 ZINC000020037229 210313397 /nfs/dbraw/zinc/31/33/97/210313397.db2.gz NLVJUFLBGNFWEP-LVKBRKGQSA-N 0 0 378.457 3.880 50 10 GHCARN COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCC(C)C)cc1 ZINC000009059903 221068843 /nfs/dbraw/zinc/06/88/43/221068843.db2.gz UIWYPYAWWCKXCX-PGMHBOJBSA-N 0 0 393.487 3.974 50 10 GHCARN CCN(CC)c1ccc(/C=C2/N=C(c3ccc(OC)c(OC)c3)OC2=O)cc1 ZINC000000729878 570221660 /nfs/dbraw/zinc/22/16/60/570221660.db2.gz ADQRILNTCRFRLJ-QGOAFFKASA-N 0 0 380.444 3.895 50 10 GHCARN O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C/c1ccccc1O ZINC000001181406 570255563 /nfs/dbraw/zinc/25/55/63/570255563.db2.gz JYDBPVVIJPREKM-QGOAFFKASA-N 0 0 399.903 3.838 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3cc(-c4cccc(F)c4)ns3)CC2)cc1 ZINC000049409978 570265827 /nfs/dbraw/zinc/26/58/27/570265827.db2.gz ZBHBERFDOANBSU-UHFFFAOYSA-N 0 0 397.475 3.920 50 10 GHCARN COc1ccc2c(c1)CCCN2Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000022893289 570333275 /nfs/dbraw/zinc/33/32/75/570333275.db2.gz LGIHTYLHSNRJIN-UHFFFAOYSA-N 0 0 398.463 3.891 50 10 GHCARN C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000010907221 570362789 /nfs/dbraw/zinc/36/27/89/570362789.db2.gz PJISWGYYKLERID-INIZCTEOSA-N 0 0 388.895 3.603 50 10 GHCARN CCN1C(=O)/C(=C\c2cccs2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000004739172 570400625 /nfs/dbraw/zinc/40/06/25/570400625.db2.gz QNNALURLUOFGEU-GXDHUFHOSA-N 0 0 376.890 3.965 50 10 GHCARN C[C@@H]1CN(C2=NC(=O)/C(=C\c3cccc(Br)c3)S2)C[C@@H](C)O1 ZINC000004754896 570403176 /nfs/dbraw/zinc/40/31/76/570403176.db2.gz LLFMTYDCNKDIDJ-PRRORJFTSA-N 0 0 381.295 3.529 50 10 GHCARN Cc1ccccc1N1C(=O)C(=CNC2CC2)C(=O)N(c2ccccc2C)C1=S ZINC000005447746 570440038 /nfs/dbraw/zinc/44/00/38/570440038.db2.gz MMCFXJKWFHNKIR-UHFFFAOYSA-N 0 0 391.496 3.604 50 10 GHCARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2)C1=O ZINC000006325339 570477012 /nfs/dbraw/zinc/47/70/12/570477012.db2.gz QXFLNYUEGZBGJI-MLDYKZIASA-N 0 0 376.478 3.521 50 10 GHCARN O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccn1 ZINC000008315349 570528257 /nfs/dbraw/zinc/52/82/57/570528257.db2.gz CZKNMUIYWUQMIL-RKQKHZQPSA-N 0 0 395.509 3.868 50 10 GHCARN Cc1ccccc1OCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000006747936 570566726 /nfs/dbraw/zinc/56/67/26/570566726.db2.gz DBOUJQPVDFSXEE-NRFANRHFSA-N 0 0 382.504 3.648 50 10 GHCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(NC(=O)c2cccnc2)C1=O ZINC000005376127 570569310 /nfs/dbraw/zinc/56/93/10/570569310.db2.gz HKSSAIYIDJUMME-WFVPKAAFSA-N 0 0 381.482 3.574 50 10 GHCARN CN(C)c1ccc(CNC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1 ZINC000012628989 570692294 /nfs/dbraw/zinc/69/22/94/570692294.db2.gz ZFEXPILHEOYQIH-UHFFFAOYSA-N 0 0 390.512 3.988 50 10 GHCARN CCOC(=O)CSc1ncc(-c2ccc(Br)cc2)n1CCOC ZINC000044085285 570862260 /nfs/dbraw/zinc/86/22/60/570862260.db2.gz MAYGMCDGZAWAJM-UHFFFAOYSA-N 0 0 399.310 3.614 50 10 GHCARN COc1ccc2ccc(O)c(CN3CCCc4ccc(S(C)(=O)=O)cc43)c2c1 ZINC000083970359 570985770 /nfs/dbraw/zinc/98/57/70/570985770.db2.gz OZNLLWCLUJKRHS-UHFFFAOYSA-N 0 0 397.496 3.910 50 10 GHCARN Cc1cc(C(=O)N2CCN(c3nccs3)CC2)c(C)n1-c1ccccc1F ZINC000025468087 841806981 /nfs/dbraw/zinc/80/69/81/841806981.db2.gz SBRZGILBNXNQHU-UHFFFAOYSA-N 0 0 384.480 3.652 50 10 GHCARN Cc1cc(C(=O)CSc2nncn2C)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003283111 862305968 /nfs/dbraw/zinc/30/59/68/862305968.db2.gz FPVGWSKAKMLWDR-UHFFFAOYSA-N 0 0 392.431 3.799 50 10 GHCARN Cc1cc(C(=O)OCC(=O)NCc2ccc(C)cc2)c(C)n1-c1ccccc1 ZINC000003376696 862374261 /nfs/dbraw/zinc/37/42/61/862374261.db2.gz RMUSPHPAMSXDEW-UHFFFAOYSA-N 0 0 376.456 3.876 50 10 GHCARN COc1ccc(-n2c(C)cc(C(=O)COc3ccc(C)nc3[N+](=O)[O-])c2C)cc1 ZINC000008687623 856318281 /nfs/dbraw/zinc/31/82/81/856318281.db2.gz UESVFZUIBJDQDX-UHFFFAOYSA-N 0 0 395.415 3.976 50 10 aggregator GHCARN CC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cc(C)ccc3O)=NN12 ZINC000010214042 857420159 /nfs/dbraw/zinc/42/01/59/857420159.db2.gz GQJDMGAFFOIWIE-HXUWFJFHSA-N 0 0 391.471 3.583 50 10 GHCARN Cc1cc(C(=O)Nc2ccc(CCO)cc2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000126514507 861063741 /nfs/dbraw/zinc/06/37/41/861063741.db2.gz SWGUDYDCMKZAAG-UHFFFAOYSA-N 0 0 392.455 3.652 50 10 GHCARN Cc1cc(/C=C\C(=O)N(C)CC(=O)NC(C)(C)C)c(C)n1-c1ccc(C)cc1 ZINC000097997456 1021160364 /nfs/dbraw/zinc/16/03/64/1021160364.db2.gz XGSVETOZFKVVQY-RAXLEYEMSA-N 0 0 381.520 3.789 50 10 GHCARN CC(NCCc1ccc(F)cc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C ZINC000018244322 210217661 /nfs/dbraw/zinc/21/76/61/210217661.db2.gz JIXVRCXKJWHHGK-UYRXBGFRSA-N 0 0 382.395 3.563 50 10 GHCARN Cc1cc(N2CCCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000016282052 210187339 /nfs/dbraw/zinc/18/73/39/210187339.db2.gz ZMAXJXMAVBXTPW-MOSHPQCFSA-N 0 0 379.435 3.827 50 10 GHCARN O=C1N/C(=C/c2ccc(N3CCCCC3)cc2F)C(=O)N1Cc1ccccc1 ZINC000014010247 210099078 /nfs/dbraw/zinc/09/90/78/210099078.db2.gz DTTNYNUVKJNEBV-DEDYPNTBSA-N 0 0 379.435 3.909 50 10 GHCARN Cc1cc(C(=O)CSc2nnnn2C)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000006361842 209643889 /nfs/dbraw/zinc/64/38/89/209643889.db2.gz BESCCPCQOVPAPN-UHFFFAOYSA-N 0 0 395.410 3.611 50 10 GHCARN Cc1ccccc1C1=NN2C(=NC(=O)/C(=C\c3ccc(N(C)C)cc3)C2=N)S1 ZINC000004620881 209504343 /nfs/dbraw/zinc/50/43/43/209504343.db2.gz PUVWDPMBJQGQBX-SABKFZPKSA-N 0 0 389.484 3.728 50 10 GHCARN Cc1noc(C)c1C(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC000002754977 209382105 /nfs/dbraw/zinc/38/21/05/209382105.db2.gz ZVBZHDNKDAZLSK-UHFFFAOYSA-N 0 0 391.471 3.833 50 10 GHCARN CCN(CC)c1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1 ZINC000001198923 209313607 /nfs/dbraw/zinc/31/36/07/209313607.db2.gz HCEODGKXFBQXOK-HXUWFJFHSA-N 0 0 394.544 3.964 50 10 GHCARN O=C(c1cccs1)C1=NOC2(C(=O)c3ccccc3C2=O)[C@H]1c1ccccc1 ZINC000001034286 209291567 /nfs/dbraw/zinc/29/15/67/209291567.db2.gz GCDXZMUPCHWSAX-KRWDZBQOSA-N 0 0 387.416 3.919 50 10 GHCARN Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000009514084 209275909 /nfs/dbraw/zinc/27/59/09/209275909.db2.gz LCPGQNVOJBFGJI-UHFFFAOYSA-N 0 0 377.421 3.571 50 10 GHCARN COc1ccc(CCNc2nc(-c3sc(N)nc3C)cs2)cc1OC ZINC000000841154 209270605 /nfs/dbraw/zinc/27/06/05/209270605.db2.gz GUMVJZGQTWCKFZ-UHFFFAOYSA-N 0 0 376.507 3.829 50 10 aggregator GHCARN COc1ccc(/C=C2\SC(=S)N(CNc3ccc(OC)cc3)C2=O)cc1 ZINC000003044321 212062519 /nfs/dbraw/zinc/06/25/19/212062519.db2.gz MTIJBWJDCMVRCE-BOPFTXTBSA-N 0 0 386.498 3.975 50 10 GHCARN Cc1cc(/C=C2\NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccccn1 ZINC000005926750 211572339 /nfs/dbraw/zinc/57/23/39/211572339.db2.gz OYBFKXJCLJHRCG-MOSHPQCFSA-N 0 0 386.455 3.890 50 10 GHCARN O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1nccs1 ZINC000001155832 211501557 /nfs/dbraw/zinc/50/15/57/211501557.db2.gz CWLWDIRXNNJTAB-FMIVXFBMSA-N 0 0 393.490 3.512 50 10 GHCARN CCn1ccc([C@@H]2CC(c3ccccc3O)=NN2c2ccc([N+](=O)[O-])cc2)n1 ZINC000071785144 211063257 /nfs/dbraw/zinc/06/32/57/211063257.db2.gz YXCSVAJGCHDPAR-IBGZPJMESA-N 0 0 377.404 3.873 50 10 GHCARN CN(CCO)c1cc(N2CCCCCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000020857902 210365544 /nfs/dbraw/zinc/36/55/44/210365544.db2.gz WWYAKXRHDQZPND-UHFFFAOYSA-N 0 0 391.471 3.848 50 10 GHCARN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1 ZINC000100147968 136189030 /nfs/dbraw/zinc/18/90/30/136189030.db2.gz IRXWVRVRJLCMJB-ZHZULCJRSA-N 0 0 381.863 3.983 50 10 GHCARN CC(C)(C)c1cn2nc(NCc3ccc(N4CCC(CO)CC4)cc3)sc2n1 ZINC000052446650 535138101 /nfs/dbraw/zinc/13/81/01/535138101.db2.gz NLTWATPILCQUOQ-UHFFFAOYSA-N 0 0 399.564 3.909 50 10 GHCARN COc1ccc(N2CCN(C(=O)CSC/C=C\c3ccccc3)CC2)cc1 ZINC000096715696 536682588 /nfs/dbraw/zinc/68/25/88/536682588.db2.gz YFZNSNSSZHQBJB-YVMONPNESA-N 0 0 382.529 3.790 50 10 GHCARN COc1ccc(N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000001127775 570244919 /nfs/dbraw/zinc/24/49/19/570244919.db2.gz ANBBVGJYRFXYCT-UHFFFAOYSA-N 0 0 376.456 3.576 50 10 GHCARN O=S(=O)(c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)cc1)C(F)F ZINC000051621641 570301843 /nfs/dbraw/zinc/30/18/43/570301843.db2.gz HNIHXCSTJNGMBX-UHFFFAOYSA-N 0 0 389.427 3.853 50 10 GHCARN CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc2c(cc1O)CCC2 ZINC000006209214 570342393 /nfs/dbraw/zinc/34/23/93/570342393.db2.gz VPEGQDJJWGFMDB-UHFFFAOYSA-N 0 0 378.394 3.970 50 10 GHCARN COC(=O)CCCCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000004860761 570350201 /nfs/dbraw/zinc/35/02/01/570350201.db2.gz CFOZMXMGHQGBBF-SDNWHVSQSA-N 0 0 394.474 3.529 50 10 GHCARN CCc1cccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)c1 ZINC000035527522 570392542 /nfs/dbraw/zinc/39/25/42/570392542.db2.gz YXIPHVCBWZXRCA-UHFFFAOYSA-N 0 0 382.485 3.638 50 10 GHCARN CCOc1ccc(-c2ccc(C=C3SC(=S)NC3=O)o2)c([N+](=O)[O-])c1 ZINC000005025803 570399511 /nfs/dbraw/zinc/39/95/11/570399511.db2.gz RHOPMMIXHIXJMN-ZSOIEALJSA-N 0 0 376.415 3.742 50 10 GHCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(=O)c2ccccc2o1 ZINC000006496416 570456585 /nfs/dbraw/zinc/45/65/85/570456585.db2.gz LBCUUROJNSIYRB-UHFFFAOYSA-N 0 0 395.370 3.821 50 10 GHCARN O=C(NCc1ccc(N2CCCC2)cc1)c1cccnc1OCC(F)(F)F ZINC000028335762 570458251 /nfs/dbraw/zinc/45/82/51/570458251.db2.gz FOAIQRBHYXKWDR-UHFFFAOYSA-N 0 0 379.382 3.553 50 10 GHCARN CCN(CC)c1ccc(CN(C(=O)C(C)C)C(C)C)c(OS(=O)(=O)CC)c1 ZINC000006711470 570547181 /nfs/dbraw/zinc/54/71/81/570547181.db2.gz RVIOOLHZHXYQFR-UHFFFAOYSA-N 0 0 398.569 3.654 50 10 GHCARN CCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCCc3ccccc32)c1 ZINC000009661428 570560115 /nfs/dbraw/zinc/56/01/15/570560115.db2.gz HSAKPUDDLOOSHJ-UHFFFAOYSA-N 0 0 398.466 3.752 50 10 GHCARN Cc1ccc(NCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 ZINC000005784129 570664600 /nfs/dbraw/zinc/66/46/00/570664600.db2.gz DOPLGMMZCQSRDR-RQZCQDPDSA-N 0 0 384.482 3.995 50 10 GHCARN O=C(c1ccc([N+](=O)[O-])o1)N1N=C(c2ccsc2)C[C@H]1c1ccccc1O ZINC000058268756 570724135 /nfs/dbraw/zinc/72/41/35/570724135.db2.gz CQZTVEVDEDDHIS-AWEZNQCLSA-N 0 0 383.385 3.946 50 10 GHCARN O=C(c1ccc([N+](=O)[O-])o1)N1N=C(c2ccsc2)C[C@@H]1c1ccccc1O ZINC000058268758 570724188 /nfs/dbraw/zinc/72/41/88/570724188.db2.gz CQZTVEVDEDDHIS-CQSZACIVSA-N 0 0 383.385 3.946 50 10 GHCARN COc1cc(C=C2SC(N)=NC2=O)ccc1OCCOc1ccc(C)c(C)c1 ZINC000211034261 570736576 /nfs/dbraw/zinc/73/65/76/570736576.db2.gz NRJFMZKOTOAPCU-XDHOZWIPSA-N 0 0 398.484 3.699 50 10 GHCARN COCCn1c(C)cc(C=C2C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c1C ZINC000005815389 570786583 /nfs/dbraw/zinc/78/65/83/570786583.db2.gz NWDGRKJBSYXOFG-LDADJPATSA-N 0 0 397.500 3.731 50 10 GHCARN Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)Nc3ccccc3F)sc2n1 ZINC000010645072 570953930 /nfs/dbraw/zinc/95/39/30/570953930.db2.gz PALJTTICUJKJIW-LLVKDONJSA-N 0 0 387.436 3.818 50 10 GHCARN COc1cc(N2CCCC2)ccc1/C=C1\NC(=O)N(Cc2cccc(C)c2)C1=O ZINC000033332221 570988491 /nfs/dbraw/zinc/98/84/91/570988491.db2.gz VDPCYFBABDIXJR-MOSHPQCFSA-N 0 0 391.471 3.697 50 10 GHCARN COc1ccc(-c2cc(CN3CCN(c4ccc(OC)cc4)CC3)on2)cc1 ZINC000057358836 861979001 /nfs/dbraw/zinc/97/90/01/861979001.db2.gz IFCXILCAMQTJHH-UHFFFAOYSA-N 0 0 379.460 3.681 50 10 GHCARN O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)NC[C@H]1CCCO1 ZINC000008748262 856343071 /nfs/dbraw/zinc/34/30/71/856343071.db2.gz GOVCROOZZHJTHG-QGZVFWFLSA-N 0 0 397.500 3.579 50 10 GHCARN CC(=O)N1c2ccccc2/C(=C2\SC(=S)N(c3ccccc3C)C2=O)C1=O ZINC000039984767 856615611 /nfs/dbraw/zinc/61/56/11/856615611.db2.gz HHLRHQSIGLQIKA-WUKNDPDISA-N 0 0 394.477 3.664 50 10 GHCARN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2ccccn2)C1=O ZINC000004140164 862818623 /nfs/dbraw/zinc/81/86/23/862818623.db2.gz TVGVNRGGWHBBPF-YUTYINLDSA-N 0 0 395.509 3.868 50 10 GHCARN Cc1cc(C(=O)CN2C(=O)CC3(CCCC3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000009338715 857144370 /nfs/dbraw/zinc/14/43/70/857144370.db2.gz KEUCSRDBFPVHIQ-UHFFFAOYSA-N 0 0 382.435 3.735 50 10 GHCARN COc1ccc(N2CCN(C(=O)Cc3coc4cc(C)cc(C)c34)CC2)cc1 ZINC000009409385 857189008 /nfs/dbraw/zinc/18/90/08/857189008.db2.gz QHWRCLPZJNDRAV-UHFFFAOYSA-N 0 0 378.472 3.950 50 10 GHCARN CC1CCN(C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)CC1 ZINC000012983389 928385811 /nfs/dbraw/zinc/38/58/11/928385811.db2.gz QOROVKPPKHFKKN-FOWTUZBSSA-N 0 0 392.521 3.676 50 10 GHCARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000017299829 210208571 /nfs/dbraw/zinc/20/85/71/210208571.db2.gz DIPOVWWCRGYBNN-UYRXBGFRSA-N 0 0 379.412 3.668 50 10 GHCARN CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000014010505 210098778 /nfs/dbraw/zinc/09/87/78/210098778.db2.gz CBLSAGFNUPPCPL-ZROIWOOFSA-N 0 0 384.259 3.703 50 10 GHCARN CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=CSC4=NC3=O)c2C)cc1 ZINC000013806030 210091455 /nfs/dbraw/zinc/09/14/55/210091455.db2.gz IISAMBKJSBIVGB-RPKGUNMRSA-N 0 0 393.472 3.742 50 10 GHCARN CN(C)c1ccc(CN(C)C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1 ZINC000010432931 209859775 /nfs/dbraw/zinc/85/97/75/209859775.db2.gz XPYYOIACSSTFDK-UHFFFAOYSA-N 0 0 392.478 3.838 50 10 GHCARN COc1ccc(C=C2SC(NC3CCCCC3)=NC2=O)c(OC)c1OC ZINC000008322945 209773597 /nfs/dbraw/zinc/77/35/97/209773597.db2.gz PBBXCHQVPJADRX-PTNGSMBKSA-N 0 0 376.478 3.605 50 10 GHCARN CCCn1c(=O)[nH]nc1SCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000006910376 209705512 /nfs/dbraw/zinc/70/55/12/209705512.db2.gz LEHHKROZJJHYQP-UHFFFAOYSA-N 0 0 388.468 3.503 50 10 GHCARN CN(CCCS(=O)(=O)[O-])c1ccc(/C=C/c2ccc3ccccc3[n+]2C)cc1 ZINC000004178638 209469272 /nfs/dbraw/zinc/46/92/72/209469272.db2.gz FQGSIKBTIBUDGS-UHFFFAOYSA-O 0 0 397.520 3.549 50 10 GHCARN Cc1nnc2n1N[C@H](c1ccc(N(C)C)cc1)[C@@H](C(=O)c1ccc(C)cc1)S2 ZINC000003258351 209418908 /nfs/dbraw/zinc/41/89/08/209418908.db2.gz HUMULPMOVXZNNX-QUCCMNQESA-N 0 0 393.516 3.603 50 10 GHCARN COc1ccccc1/C=C1\SC(=S)N(NC(=O)Nc2ccccc2)C1=O ZINC000003091895 209411780 /nfs/dbraw/zinc/41/17/80/209411780.db2.gz HARCLPSYAIRFKV-PTNGSMBKSA-N 0 0 385.470 3.633 50 10 GHCARN COc1ccc(N2CCN(C(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000002640713 209373842 /nfs/dbraw/zinc/37/38/42/209373842.db2.gz WRBOTJWAGUAOQY-UHFFFAOYSA-N 0 0 379.287 3.893 50 10 GHCARN Cc1ccc(N(Cc2ccccc2O)C2=NS(=O)(=O)c3ccccc32)cc1 ZINC000001461771 209329468 /nfs/dbraw/zinc/32/94/68/209329468.db2.gz RHPYKYOAJYUYLS-UHFFFAOYSA-N 0 0 378.453 3.856 50 10 GHCARN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)C(C(=O)OC)=C1C ZINC000001164075 209308447 /nfs/dbraw/zinc/30/84/47/209308447.db2.gz WIXDAVQIODLLIT-MOSHPQCFSA-N 0 0 394.471 3.795 50 10 GHCARN COc1ccccc1OCCN1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O ZINC000000976751 209284438 /nfs/dbraw/zinc/28/44/38/209284438.db2.gz HQXXMXGNMKNORD-RGEXLXHISA-N 0 0 398.484 3.877 50 10 GHCARN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000000842967 209271320 /nfs/dbraw/zinc/27/13/20/209271320.db2.gz WYORYJDTAQGYMT-RGEXLXHISA-N 0 0 392.411 3.510 50 10 GHCARN Cc1ccc(C2=NN[C@@H](c3cc(Br)cc4c3OCOC4)C2)c(O)c1 ZINC000026534201 209243885 /nfs/dbraw/zinc/24/38/85/209243885.db2.gz JOAJTMIMLQOPTE-MRXNPFEDSA-N 0 0 389.249 3.768 50 10 GHCARN COc1ccc(-c2cnc(SCC(=O)NCc3ccc(F)cc3)n2C)cc1 ZINC000007423583 211586827 /nfs/dbraw/zinc/58/68/27/211586827.db2.gz RAYZDCNFZGFCCG-UHFFFAOYSA-N 0 0 385.464 3.643 50 10 GHCARN O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccccc1O ZINC000001311753 211503650 /nfs/dbraw/zinc/50/36/50/211503650.db2.gz JPKJEDAPALOKGZ-PTNGSMBKSA-N 0 0 388.470 3.605 50 10 GHCARN COCCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1cc(C)on1 ZINC000044085900 211449873 /nfs/dbraw/zinc/44/98/73/211449873.db2.gz HHHCIPPPLPAINM-UHFFFAOYSA-N 0 0 386.477 3.532 50 10 GHCARN COc1ccc(-c2cnc(SCC(=O)NC(C)C)n2Cc2ccco2)cc1 ZINC000044086179 211449307 /nfs/dbraw/zinc/44/93/07/211449307.db2.gz GYJWEVDYVPLOTP-UHFFFAOYSA-N 0 0 385.489 3.817 50 10 GHCARN Cc1c(C(=O)NCc2ccccc2O)cnn1-c1cccc(C(F)(F)F)c1 ZINC000095393284 211237025 /nfs/dbraw/zinc/23/70/25/211237025.db2.gz GRRBALMNYBDBGF-UHFFFAOYSA-N 0 0 375.350 3.835 50 10 GHCARN CC(=O)c1cc(C)n(-c2ccc(C(=O)N3C[C@@H](C)[C@](O)(C4CC4)C3)cc2)c1C ZINC000091737366 211205568 /nfs/dbraw/zinc/20/55/68/211205568.db2.gz XROJFDSTEBKFHW-FATZIPQQSA-N 0 0 380.488 3.530 50 10 GHCARN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000089904568 211185283 /nfs/dbraw/zinc/18/52/83/211185283.db2.gz FNINFASGRZVDQQ-JKSUJKDBSA-N 0 0 397.475 3.522 50 10 GHCARN O=C1NC(=S)NC(=O)C1=Cc1ccc(SCc2ccc(Cl)cc2)o1 ZINC000020324484 210328830 /nfs/dbraw/zinc/32/88/30/210328830.db2.gz MDFXWADVZXILOE-UHFFFAOYSA-N 0 0 378.862 3.980 50 10 GHCARN CC(C)c1ccc(/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)cc1 ZINC000020356441 210328290 /nfs/dbraw/zinc/32/82/90/210328290.db2.gz LFAQJZZFWRKXGC-PZNVHLGOSA-N 0 0 381.505 3.873 50 10 GHCARN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccccc1N1CCOCC1 ZINC000065881662 136164273 /nfs/dbraw/zinc/16/42/73/136164273.db2.gz VDCXMGWLENMSIH-UHFFFAOYSA-N 0 0 395.528 3.922 50 10 GHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnc(-c2ccsc2)s1 ZINC000095958560 136182841 /nfs/dbraw/zinc/18/28/41/136182841.db2.gz KXHLNCKLDVSFSC-UHFFFAOYSA-N 0 0 399.541 3.980 50 10 GHCARN CN(C)c1ccc(CNC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 ZINC000051364607 570236266 /nfs/dbraw/zinc/23/62/66/570236266.db2.gz DNGOOOZTIXJDAX-HXUWFJFHSA-N 0 0 387.483 3.589 50 10 GHCARN CCOc1ccccc1CCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000048355119 570243625 /nfs/dbraw/zinc/24/36/25/570243625.db2.gz WRHIVEJCXKNAKS-SFHVURJKSA-N 0 0 382.504 3.732 50 10 GHCARN O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(F)c1 ZINC000006132507 570276201 /nfs/dbraw/zinc/27/62/01/570276201.db2.gz OGWMDOAMSCFISX-MDWZMJQESA-N 0 0 378.475 3.727 50 10 GHCARN COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000004544560 570382946 /nfs/dbraw/zinc/38/29/46/570382946.db2.gz JEASWVBDCAGMKP-LFIBNONCSA-N 0 0 385.466 3.644 50 10 GHCARN CC(C)(C)c1ccc(SCC(=O)Nc2cc(=O)n(-c3ccccc3)[nH]2)cc1 ZINC000004668887 570391798 /nfs/dbraw/zinc/39/17/98/570391798.db2.gz YFUSBXWILYFJBM-UHFFFAOYSA-N 0 0 381.501 3.943 50 10 GHCARN Cc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)cc1C ZINC000035527520 570392475 /nfs/dbraw/zinc/39/24/75/570392475.db2.gz SSJQBGGIXUCGAO-UHFFFAOYSA-N 0 0 382.485 3.693 50 10 GHCARN O=C1c2ccccc2C(=O)N1c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000006496370 570456651 /nfs/dbraw/zinc/45/66/51/570456651.db2.gz OJHVWWHFHPBTDU-UHFFFAOYSA-N 0 0 387.778 3.916 50 10 GHCARN CCCCC(=O)OCC(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O ZINC000005415970 570588566 /nfs/dbraw/zinc/58/85/66/570588566.db2.gz CSTHFWJWKPVJQV-UHFFFAOYSA-N 0 0 399.830 3.787 50 10 GHCARN Cc1cc(C(=O)Nc2ccc(OCCC(N)=O)cc2)c(C)n1-c1cccc(F)c1 ZINC000058280335 570724572 /nfs/dbraw/zinc/72/45/72/570724572.db2.gz HPJFPMOFJYVUNK-UHFFFAOYSA-N 0 0 395.434 3.740 50 10 GHCARN Cc1nonc1/N=N/N(Cc1cccc(Br)c1)c1nonc1C ZINC000004481887 570803969 /nfs/dbraw/zinc/80/39/69/570803969.db2.gz UYFNYMDGVLLWPG-HMMYKYKNSA-N 0 0 378.190 3.537 50 10 GHCARN Cc1cccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)c1 ZINC000044169772 570867937 /nfs/dbraw/zinc/86/79/37/570867937.db2.gz JRQWSPLPCYHCHP-UHFFFAOYSA-N 0 0 382.485 3.774 50 10 GHCARN CCCOc1ccc(N2CC[C@H](N(Cc3ccc4c(c3)OCO4)C(C)=O)C2)cc1 ZINC000004561178 570888672 /nfs/dbraw/zinc/88/86/72/570888672.db2.gz LJCGOZDPJAOKCE-FQEVSTJZSA-N 0 0 396.487 3.832 50 10 GHCARN CS(=O)(=O)N1CCC(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000013789369 570901432 /nfs/dbraw/zinc/90/14/32/570901432.db2.gz ITXWABZSNSEHSQ-QURGRASLSA-N 0 0 386.477 3.712 50 10 GHCARN COc1ccc2ccc(O)c(CN3CCCc4c3cccc4S(C)(=O)=O)c2c1 ZINC000083970385 570985748 /nfs/dbraw/zinc/98/57/48/570985748.db2.gz WGMVREGKEJTCJG-UHFFFAOYSA-N 0 0 397.496 3.910 50 10 GHCARN CCOc1ccccc1N1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000004980436 843189489 /nfs/dbraw/zinc/18/94/89/843189489.db2.gz UCAPMRQYMUPNRB-UHFFFAOYSA-N 0 0 391.309 3.876 50 10 GHCARN Cc1oc2ccc(O)c(CN3CCOCC3)c2c1C(=O)Nc1ccccc1C ZINC000019794002 860369871 /nfs/dbraw/zinc/36/98/71/860369871.db2.gz AWGUHFTVPZLZPB-UHFFFAOYSA-N 0 0 380.444 3.840 50 10 GHCARN Cc1cc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c(C)n1-c1ccccc1 ZINC000016277588 210186719 /nfs/dbraw/zinc/18/67/19/210186719.db2.gz GSEKFADGMKRMRU-UHFFFAOYSA-N 0 0 391.402 3.933 50 10 GHCARN COC(=O)COc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000015011344 210143471 /nfs/dbraw/zinc/14/34/71/210143471.db2.gz RBPBGBAXAMWTCV-WJDWOHSUSA-N 0 0 385.466 3.644 50 10 GHCARN COc1ccc(/C=C2\SC(N3CCN(c4ccc(F)cc4)CC3)=NC2=O)cc1 ZINC000013749310 210088457 /nfs/dbraw/zinc/08/84/57/210088457.db2.gz USENHAMESWAINQ-RGEXLXHISA-N 0 0 397.475 3.627 50 10 GHCARN CCC(=O)n1nc(-c2ccc(OC)cc2)nc1NCc1ccc(N(C)C)cc1 ZINC000004757978 209522398 /nfs/dbraw/zinc/52/23/98/209522398.db2.gz CNGZAUHMRVOADZ-UHFFFAOYSA-N 0 0 379.464 3.682 50 10 GHCARN CC(C)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)cc1 ZINC000001449331 209329195 /nfs/dbraw/zinc/32/91/95/209329195.db2.gz SAAPBCCVGRFCDF-WJDWOHSUSA-N 0 0 383.498 3.751 50 10 GHCARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(N(C)C)cc2)cc1C ZINC000001185940 209312191 /nfs/dbraw/zinc/31/21/91/209312191.db2.gz DBOBMOQTKLAETK-HXUWFJFHSA-N 0 0 378.476 3.636 50 10 GHCARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(=O)n(-c2ccccc2)[nH]1 ZINC000001171288 209309829 /nfs/dbraw/zinc/30/98/29/209309829.db2.gz HVLZJTHVKXQUHZ-LLVKDONJSA-N 0 0 392.242 3.627 50 10 GHCARN CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2S(C)(=O)=O)cc1 ZINC000001018765 209288524 /nfs/dbraw/zinc/28/85/24/209288524.db2.gz HSDUPHXZRSDVJG-SFHVURJKSA-N 0 0 377.897 3.517 50 10 GHCARN O=C(NN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)c1cccc(O)c1 ZINC000001002931 209287944 /nfs/dbraw/zinc/28/79/44/209287944.db2.gz AWQLVRUBJQMSOX-ZSOIEALJSA-N 0 0 390.873 3.592 50 10 GHCARN CCOC(=O)c1ccc(Oc2coc3c(ccc([O-])c3C[NH+](C)C)c2=O)cc1 ZINC000020358308 209235206 /nfs/dbraw/zinc/23/52/06/209235206.db2.gz XYJKGZIJDWLKDE-UHFFFAOYSA-N 0 0 383.400 3.529 50 10 biogenic GHCARN COCCC[NH2+]Cc1c([O-])ccc2c(=O)c(-c3ccccc3OC)c(C)oc21 ZINC000057312258 211770405 /nfs/dbraw/zinc/77/04/05/211770405.db2.gz JWPQLZYJZRSVMQ-UHFFFAOYSA-N 0 0 383.444 3.609 50 10 GHCARN O=C1c2oc3c(ccc4c3CN(Cc3cccnc3)CO4)c2C(=O)c2ccccc21 ZINC000019863954 211725361 /nfs/dbraw/zinc/72/53/61/211725361.db2.gz PAXGYQWMAWLURI-UHFFFAOYSA-N 0 0 396.402 3.955 50 10 GHCARN Oc1ccccc1[C@H]1c2[nH]cnc2CCN1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067934811 211028397 /nfs/dbraw/zinc/02/83/97/211028397.db2.gz QMELLOGBBQXORY-QFIPXVFZSA-N 0 0 389.434 3.792 50 10 GHCARN C[C@H](c1ccccc1O)N(C)C(=O)c1ccc(F)cc1I ZINC000089909750 210934441 /nfs/dbraw/zinc/93/44/41/210934441.db2.gz QAGCQGWHTAZGQD-SNVBAGLBSA-N 0 0 399.203 3.969 50 10 GHCARN Oc1c(Br)cc(Br)cc1CNc1cccc2n[nH]nc21 ZINC000019931862 210308084 /nfs/dbraw/zinc/30/80/84/210308084.db2.gz LIBHFWLVEQHLAF-UHFFFAOYSA-N 0 0 398.058 3.801 50 10 GHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000039995686 132392329 /nfs/dbraw/zinc/39/23/29/132392329.db2.gz XCFWOHVFRSCCGS-UHFFFAOYSA-N 0 0 392.421 3.743 50 10 GHCARN COC(=O)c1sc(NCc2ccc(N3CCSCC3)cc2)nc1Cl ZINC000053573348 570326065 /nfs/dbraw/zinc/32/60/65/570326065.db2.gz DFRVGHUVDWFJKG-UHFFFAOYSA-N 0 0 383.926 3.748 50 10 GHCARN COC(=O)CCCCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S ZINC000004871427 570352243 /nfs/dbraw/zinc/35/22/43/570352243.db2.gz ZQROBGUYCRPNOA-SDNWHVSQSA-N 0 0 394.474 3.529 50 10 GHCARN CCOc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)cc1 ZINC000004909000 570361779 /nfs/dbraw/zinc/36/17/79/570361779.db2.gz VDMPCACJJUZJMS-RXVRHCFJSA-N 0 0 393.472 3.905 50 10 GHCARN O=C1/C(=C/c2ccc(O)c(Br)c2)SC(=S)N1c1cccnc1 ZINC000023724373 570369936 /nfs/dbraw/zinc/36/99/36/570369936.db2.gz HCMAXKKPEPGYGL-QPEQYQDCSA-N 0 0 393.287 3.956 50 10 GHCARN CCS(=O)(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 ZINC000118352592 570374774 /nfs/dbraw/zinc/37/47/74/570374774.db2.gz YKPMPFVAQYLDFF-UHFFFAOYSA-N 0 0 383.473 3.535 50 10 GHCARN N=C1/C(=C/c2ccc(O)cc2)C(=O)N=C2SC(c3ccccc3Cl)=NN21 ZINC000004489293 570378394 /nfs/dbraw/zinc/37/83/94/570378394.db2.gz HHCWEYBMOXKZCO-HJDDMPKESA-N 0 0 382.832 3.713 50 10 GHCARN COc1ccc(N2CCN([C@H](C)C(=O)c3c[nH]c4ccccc43)C[C@H]2C)cc1 ZINC000245311679 570435403 /nfs/dbraw/zinc/43/54/03/570435403.db2.gz QBWWYEMWPYCDIA-IAGOWNOFSA-N 0 0 377.488 3.958 50 10 GHCARN O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(O)cc1 ZINC000001907837 570441848 /nfs/dbraw/zinc/44/18/48/570441848.db2.gz IFGGXHKQKCQQMC-VBKFSLOCSA-N 0 0 384.482 3.622 50 10 GHCARN COc1cccc(-n2c(C)cc(C(=O)Nc3ccc4oc(=O)[nH]c4c3)c2C)c1 ZINC000030252939 570487406 /nfs/dbraw/zinc/48/74/06/570487406.db2.gz UGENITIBADDQBK-UHFFFAOYSA-N 0 0 377.400 3.790 50 10 GHCARN COc1cc(OC)cc([C@@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)c1 ZINC000225496074 570580259 /nfs/dbraw/zinc/58/02/59/570580259.db2.gz GWLNWFIJSMSBIF-IBGZPJMESA-N 0 0 392.411 3.994 50 10 GHCARN O=C1/C(=C/c2ccc3c(c2)OCO3)N=C(c2ccccc2)N1c1nccs1 ZINC000005399557 570584843 /nfs/dbraw/zinc/58/48/43/570584843.db2.gz UGCHAOSUFPWNIC-GDNBJRDFSA-N 0 0 375.409 3.706 50 10 GHCARN CC(=O)Nc1ccc(NC2=NC(=O)C(=Cc3ccc([N+](=O)[O-])cc3)S2)cc1 ZINC000005520278 570622712 /nfs/dbraw/zinc/62/27/12/570622712.db2.gz MXYSJUUJXPJBJY-YBEGLDIGSA-N 0 0 382.401 3.636 50 10 GHCARN Cc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1[N+](=O)[O-] ZINC000005618312 570669361 /nfs/dbraw/zinc/66/93/61/570669361.db2.gz HIEIVUKGVNJESR-UHFFFAOYSA-N 0 0 386.363 3.931 50 10 GHCARN CCn1nc(C)c2c1nc(C)cc2C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000036616101 570751997 /nfs/dbraw/zinc/75/19/97/570751997.db2.gz VDRVIQPFCKWQGY-UHFFFAOYSA-N 0 0 377.492 3.598 50 10 GHCARN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000004688398 570834551 /nfs/dbraw/zinc/83/45/51/570834551.db2.gz OKSPVAFSMDOUPH-PGMHBOJBSA-N 0 0 390.483 3.668 50 10 GHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000012595580 570884944 /nfs/dbraw/zinc/88/49/44/570884944.db2.gz PCRRZPUBULZIPK-UHFFFAOYSA-N 0 0 396.531 3.858 50 10 GHCARN Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)N(C)c3ccccc3)sc2n1 ZINC000010645098 570954171 /nfs/dbraw/zinc/95/41/71/570954171.db2.gz MKDUEDVNWONKFX-CYBMUJFWSA-N 0 0 383.473 3.704 50 10 GHCARN N=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N=C2SC=NN21 ZINC000004644061 841918457 /nfs/dbraw/zinc/91/84/57/841918457.db2.gz GEGGLLPPGCAVMA-BGQXKEBWSA-N 0 0 380.404 3.654 50 10 GHCARN CC(C)C1=NN2C(=NC(=O)/C(=C\c3cccc(Br)c3)C2=N)S1 ZINC000005093240 843505486 /nfs/dbraw/zinc/50/54/86/843505486.db2.gz LJLGPPIILROZMD-XZPRFMIFSA-N 0 0 377.267 3.724 50 10 GHCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3[N+](=O)[O-])C2=O)ccc1O ZINC000059396846 862887194 /nfs/dbraw/zinc/88/71/94/862887194.db2.gz RXOBTYRUAKUUDM-DHDCSXOGSA-N 0 0 388.426 3.715 50 10 GHCARN Oc1ccc(Br)cc1CN1CCN(Cc2ccccc2F)CC1 ZINC000019361423 210243005 /nfs/dbraw/zinc/24/30/05/210243005.db2.gz VYLKGWBVAXYTBV-UHFFFAOYSA-N 0 0 379.273 3.612 50 10 GHCARN Cc1cc(C=C2C(=O)NC(=S)N(C3CC3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000017208411 210207190 /nfs/dbraw/zinc/20/71/90/210207190.db2.gz SVRUXEPDJZHGFT-YVLHZVERSA-N 0 0 383.448 3.863 50 10 GHCARN CCCc1ccc([C@@H](C)NC(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000013323187 210057836 /nfs/dbraw/zinc/05/78/36/210057836.db2.gz XDLBMVCWIOHUTF-LJQANCHMSA-N 0 0 395.547 3.647 50 10 GHCARN O=C1/C(=C/c2ccc(-c3ccccc3F)o2)SC(=S)N1N1CCOCC1 ZINC000013073949 210050263 /nfs/dbraw/zinc/05/02/63/210050263.db2.gz TZBOMEYBGINIRV-WJDWOHSUSA-N 0 0 390.461 3.534 50 10 GHCARN CCOc1ccc(NC(=O)C[C@H]2SC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000012136868 209911780 /nfs/dbraw/zinc/91/17/80/209911780.db2.gz GFPNHNIXCQWEFP-MRXNPFEDSA-N 0 0 388.420 3.822 50 10 GHCARN Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)sc2n1 ZINC000010644897 209862737 /nfs/dbraw/zinc/86/27/37/209862737.db2.gz KDVKQCRAACCTRS-LEWSCRJBSA-N 0 0 389.521 3.593 50 10 GHCARN Cc1ccc(C2=N/C(=C\c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000005930985 209622628 /nfs/dbraw/zinc/62/26/28/209622628.db2.gz JMRNXPMRAMQINX-ATVHPVEESA-N 0 0 377.400 3.848 50 10 GHCARN Cc1ccc(CN2C(=O)N/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)cc1 ZINC000004949954 209550589 /nfs/dbraw/zinc/55/05/89/209550589.db2.gz VSUZCELUEVWMPC-UYRXBGFRSA-N 0 0 379.435 3.827 50 10 GHCARN COc1ccc(OC)c(-n2c(C)c(C=O)cc2-c2ccc(S(C)(=O)=O)cc2)c1 ZINC000002383800 209359689 /nfs/dbraw/zinc/35/96/89/209359689.db2.gz IBBLJZKNUODJQI-UHFFFAOYSA-N 0 0 399.468 3.686 50 10 GHCARN COc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 ZINC000001232285 209316039 /nfs/dbraw/zinc/31/60/39/209316039.db2.gz NDQYRKKRKVUSLM-LGMDPLHJSA-N 0 0 398.509 3.925 50 10 GHCARN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000001103981 209299932 /nfs/dbraw/zinc/29/99/32/209299932.db2.gz QGGRXJDSCCOSIX-ATVHPVEESA-N 0 0 378.384 3.780 50 10 GHCARN COc1ccc(N2CCN(C(=S)Nc3ccccc3OC(F)F)CC2)cc1 ZINC000000952738 209283716 /nfs/dbraw/zinc/28/37/16/209283716.db2.gz VBSXXADOQLGCBM-UHFFFAOYSA-N 0 0 393.459 3.816 50 10 GHCARN COc1ccc([C@H]2CC(c3cc(Br)ccc3O)=NN2)c(OC)c1 ZINC000001447889 209227496 /nfs/dbraw/zinc/22/74/96/209227496.db2.gz OECQBOVEWWUFTE-CQSZACIVSA-N 0 0 377.238 3.611 50 10 GHCARN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCc1ccc2c(c1)OCO2 ZINC000100111176 211381304 /nfs/dbraw/zinc/38/13/04/211381304.db2.gz IFLAAGVWVFBVQM-SFQUDFHCSA-N 0 0 381.407 3.731 50 10 GHCARN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](O)c1ccc(F)c(F)c1 ZINC000063733906 210936562 /nfs/dbraw/zinc/93/65/62/210936562.db2.gz JRUMFHTUFNPMNN-KRWDZBQOSA-N 0 0 376.428 3.897 50 10 GHCARN CN(C)c1ccc(CN2CCc3nc(Nc4ccc(F)cc4)ncc3C2)cc1 ZINC000021639705 210387970 /nfs/dbraw/zinc/38/79/70/210387970.db2.gz ZMNIGFCZQMOAAC-UHFFFAOYSA-N 0 0 377.467 3.984 50 10 GHCARN COCC[NH2+]Cc1c([O-])c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc21 ZINC000020649298 210354790 /nfs/dbraw/zinc/35/47/90/210354790.db2.gz DLETVIGWUYYXEG-UHFFFAOYSA-N 0 0 387.863 3.787 50 10 GHCARN COc1ccc(-c2cc(=O)oc3c2ccc([O-])c3C[NH2+]Cc2ccccn2)cc1 ZINC000005427108 523088902 /nfs/dbraw/zinc/08/89/02/523088902.db2.gz ZXZAHVWVYNTDAX-UHFFFAOYSA-N 0 0 388.423 3.859 50 10 GHCARN CCN1C(=O)/C(=C/c2cccs2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000005509706 535424988 /nfs/dbraw/zinc/42/49/88/535424988.db2.gz QNNALURLUOFGEU-UVTDQMKNSA-N 0 0 376.890 3.965 50 10 GHCARN COc1ccccc1N1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O ZINC000001131353 570245414 /nfs/dbraw/zinc/24/54/14/570245414.db2.gz IXMJQWLSXMPTDD-RGEXLXHISA-N 0 0 396.468 3.773 50 10 GHCARN Cc1c(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c(=O)n(-c2ccccc2)n1C ZINC000003035494 570326594 /nfs/dbraw/zinc/32/65/94/570326594.db2.gz ATGBJWSZGFQHKD-UYRXBGFRSA-N 0 0 389.480 3.854 50 10 GHCARN CN(C)c1ccc(CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 ZINC000007243791 570328801 /nfs/dbraw/zinc/32/88/01/570328801.db2.gz VHTOVNGPIRTGLR-UHFFFAOYSA-N 0 0 383.492 3.707 50 10 GHCARN COc1ccc(-n2c(/C=C/c3ccc(O)c(O)c3)nc3ccccc3c2=O)cc1 ZINC000004863171 570350583 /nfs/dbraw/zinc/35/05/83/570350583.db2.gz HTIXQBYFKXIBJR-NTUHNPAUSA-N 0 0 386.407 3.976 50 10 GHCARN CC1=C(C(=O)O[C@@H]2CC[C@@H](C)[C@@H](C)C2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 ZINC000004043519 570355619 /nfs/dbraw/zinc/35/56/19/570355619.db2.gz PGIBQQKMAPFGKC-VLBMKZOESA-N 0 0 385.508 3.748 50 10 GHCARN CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=CSC4=NC3=O)c2C)cc1 ZINC000004916959 570365518 /nfs/dbraw/zinc/36/55/18/570365518.db2.gz FKOMMLUYPNLZQC-RPKGUNMRSA-N 0 0 377.473 3.906 50 10 GHCARN COc1cc(C=C2SC(=S)NC2=O)ccc1OCCOc1ccccc1 ZINC000004954209 570381123 /nfs/dbraw/zinc/38/11/23/570381123.db2.gz FGHXDPJMEXQOBO-SFQUDFHCSA-N 0 0 387.482 3.642 50 10 GHCARN Cc1cc(C(=O)COC(=O)Cc2ccsc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000006360281 570398334 /nfs/dbraw/zinc/39/83/34/570398334.db2.gz HAXAIAJEMRVYCL-UHFFFAOYSA-N 0 0 397.452 3.853 50 10 GHCARN CCN1C(=O)/C(=C\c2ccsc2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000004738888 570400222 /nfs/dbraw/zinc/40/02/22/570400222.db2.gz JIPMSNDGIHVNIU-NTEUORMPSA-N 0 0 376.890 3.965 50 10 GHCARN CCOc1ccc(-n2c(C)cc(C(=O)COc3ccccc3C(N)=O)c2C)cc1 ZINC000006510769 570463279 /nfs/dbraw/zinc/46/32/79/570463279.db2.gz KIDDMQPCENHGKD-UHFFFAOYSA-N 0 0 392.455 3.853 50 10 GHCARN COC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccc(N)cc4)cc3C2=O)cc1 ZINC000000793755 570481990 /nfs/dbraw/zinc/48/19/90/570481990.db2.gz YNABYVOWRORUAS-UHFFFAOYSA-N 0 0 388.379 3.648 50 10 GHCARN Cc1ccccc1OCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000006747937 570566714 /nfs/dbraw/zinc/56/67/14/570566714.db2.gz DBOUJQPVDFSXEE-OAQYLSRUSA-N 0 0 382.504 3.648 50 10 GHCARN CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)NC1=S ZINC000004616106 570672021 /nfs/dbraw/zinc/67/20/21/570672021.db2.gz LSTFRUKQMGJIRK-YFHOEESVSA-N 0 0 381.240 3.510 50 10 GHCARN O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1nccs1 ZINC000000975295 570741658 /nfs/dbraw/zinc/74/16/58/570741658.db2.gz FMPNGEMSWHKMKG-ACCUITESSA-N 0 0 389.527 3.763 50 10 GHCARN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000004672700 570819474 /nfs/dbraw/zinc/81/94/74/570819474.db2.gz FUSQRDHCDLAFKV-DZBQEORWSA-N 0 0 391.423 3.849 50 10 GHCARN CCc1cc(Br)ccc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000013948559 570867871 /nfs/dbraw/zinc/86/78/71/570867871.db2.gz HCVCVOLANRCQLJ-UHFFFAOYSA-N 0 0 398.307 3.817 50 10 GHCARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(O)cc1 ZINC000103766040 570888688 /nfs/dbraw/zinc/88/86/88/570888688.db2.gz DIPOVWWCRGYBNN-CPNJWEJPSA-N 0 0 379.412 3.668 50 10 GHCARN Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000001275455 570951853 /nfs/dbraw/zinc/95/18/53/570951853.db2.gz ZVKXGNXWJMPLLZ-UHFFFAOYSA-N 0 0 376.441 3.808 50 10 GHCARN C[C@@H](Sc1nccs1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000052914133 570956942 /nfs/dbraw/zinc/95/69/42/570956942.db2.gz CPPWCYXSNSIXKS-MRVPVSSYSA-N 0 0 387.408 3.628 50 10 GHCARN CCC(=O)Nc1cccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)c1 ZINC000079048937 844828957 /nfs/dbraw/zinc/82/89/57/844828957.db2.gz GXOHOLJHXRKXNU-UHFFFAOYSA-N 0 0 385.427 3.997 50 10 GHCARN CN(C)c1ccc(CNC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)cc1 ZINC000032413394 862915915 /nfs/dbraw/zinc/91/59/15/862915915.db2.gz NGXGAPGZAFAFPN-UHFFFAOYSA-N 0 0 380.488 3.652 50 10 GHCARN Cc1ccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)c(Br)c1 ZINC000008766841 879077999 /nfs/dbraw/zinc/07/79/99/879077999.db2.gz FJIYMRRAYULCDS-UHFFFAOYSA-N 0 0 391.246 3.772 50 10 GHCARN CN1C(=O)/C(=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)SC1=S ZINC000015012131 210143824 /nfs/dbraw/zinc/14/38/24/210143824.db2.gz GJXYWIYKPNOXJB-RQZCQDPDSA-N 0 0 385.466 3.825 50 10 GHCARN Cc1occc1C(=O)NN1C(=O)/C(=C/c2ccc3ccccc3n2)SC1=S ZINC000013690986 210080912 /nfs/dbraw/zinc/08/09/12/210080912.db2.gz NWVWIVTWGQZDJV-YBEGLDIGSA-N 0 0 395.465 3.682 50 10 GHCARN CCN(CC)c1ccc(/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)cc1 ZINC000013512919 210065929 /nfs/dbraw/zinc/06/59/29/210065929.db2.gz AXISJOJGEOZMJE-RGEXLXHISA-N 0 0 390.512 3.520 50 10 GHCARN Cc1cc(-c2csc(NC(C)C)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000013070746 210050174 /nfs/dbraw/zinc/05/01/74/210050174.db2.gz ZUFPSGKMPKJGJK-UHFFFAOYSA-N 0 0 390.534 3.685 50 10 GHCARN Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)on1 ZINC000007226755 209724389 /nfs/dbraw/zinc/72/43/89/209724389.db2.gz UPXZVLBGWIYGOJ-UHFFFAOYSA-N 0 0 378.428 3.919 50 10 GHCARN O=c1cc2nc(-c3ccco3)nc(SCCOc3ccc(Cl)cc3)n2[nH]1 ZINC000006915828 209705821 /nfs/dbraw/zinc/70/58/21/209705821.db2.gz YYVJRZBIONICHE-UHFFFAOYSA-N 0 0 388.836 3.502 50 10 GHCARN CCN(CC)c1ccc(CNc2ccc(N3CCOCC3)c(C(=O)OC)c2)cc1 ZINC000004705460 209514783 /nfs/dbraw/zinc/51/47/83/209514783.db2.gz VYXZXTFOAHZQIF-UHFFFAOYSA-N 0 0 397.519 3.768 50 10 GHCARN COc1ccc(/C=C2/SC(N3CCN(c4ccc(F)cc4)CC3)=NC2=O)cc1 ZINC000002374820 209360153 /nfs/dbraw/zinc/36/01/53/209360153.db2.gz USENHAMESWAINQ-XMHGGMMESA-N 0 0 397.475 3.627 50 10 GHCARN COC(=O)c1[nH]c2ccccc2c1/N=N/N1CCN(c2ccccc2F)CC1 ZINC000002262717 209353816 /nfs/dbraw/zinc/35/38/16/209353816.db2.gz ADNMEAVQGGXBJC-WCWDXBQESA-N 0 0 381.411 3.915 50 10 GHCARN O=C(Cc1ccccc1)NN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000001221219 209316532 /nfs/dbraw/zinc/31/65/32/209316532.db2.gz VTSSPWXSHUNCDP-NNLXQCSXSA-N 0 0 380.494 3.718 50 10 GHCARN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000001088618 209299972 /nfs/dbraw/zinc/29/99/72/209299972.db2.gz HFJRIXPLEYPLPD-UHFFFAOYSA-N 0 0 379.243 3.685 50 10 GHCARN Cc1ccc(NCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 ZINC000001021728 209288553 /nfs/dbraw/zinc/28/85/53/209288553.db2.gz DOPLGMMZCQSRDR-MFOYZWKCSA-N 0 0 384.482 3.995 50 10 GHCARN O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2nc3ccccc3s2)o1 ZINC000000818828 209269380 /nfs/dbraw/zinc/26/93/80/209269380.db2.gz SSGHXTSRAWMUBC-LFIBNONCSA-N 0 0 397.481 3.859 50 10 GHCARN CN1CC[NH+](Cc2c([O-])ccc3cc(-c4ccc(Cl)cc4)c(=O)oc32)CC1 ZINC000020426509 209235285 /nfs/dbraw/zinc/23/52/85/209235285.db2.gz RKMPYXMVYPFPJJ-UHFFFAOYSA-N 0 0 384.863 3.566 50 10 GHCARN COc1ccc([C@@H]2CC(c3cc(Br)ccc3O)=NN2)cc1OC ZINC000001463806 209227812 /nfs/dbraw/zinc/22/78/12/209227812.db2.gz PVYDRMXIVHTQDK-ZDUSSCGKSA-N 0 0 377.238 3.611 50 10 GHCARN Cc1ccc(C(C)(C)O[C@@H]2CC(=O)Cc3c(O)c4cccc(O)c4c(O)c32)cc1 ZINC000101168285 211396310 /nfs/dbraw/zinc/39/63/10/211396310.db2.gz HWBQGRFPUCBOTB-QFUCXCTJSA-N 0 0 392.451 3.995 50 10 GHCARN CCCCOc1ccc(C(=O)NC2=N[C@@H](c3ccc(C)cc3)CC(=O)N2)cc1 ZINC000020924296 210369288 /nfs/dbraw/zinc/36/92/88/210369288.db2.gz PMUZFRGZURDXQB-LJQANCHMSA-N 0 0 379.460 3.521 50 10 GHCARN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=N)N3C=CSC3=NC2=O)o1 ZINC000020238830 210325090 /nfs/dbraw/zinc/32/50/90/210325090.db2.gz NRYYWYPWZORMHQ-RBCZPYDQSA-N 0 0 380.385 3.940 50 10 GHCARN N=C1/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)C(=O)N=C2SC=CN21 ZINC000020210830 210321759 /nfs/dbraw/zinc/32/17/59/210321759.db2.gz GCXPKIHVCQQOJE-RFCLUPQTSA-N 0 0 399.819 3.816 50 10 GHCARN CCN1c2ccc(S(=O)(=O)Nc3ccc(O)cc3C)c3cccc(c23)C1=O ZINC000019923874 210307023 /nfs/dbraw/zinc/30/70/23/210307023.db2.gz IUBXHLYJWALLRO-UHFFFAOYSA-N 0 0 382.441 3.635 50 10 GHCARN COc1ccc([C@@H](c2c(O)ccc3ccccc32)N2CCOCC2)c(OC)c1 ZINC000019925597 210306709 /nfs/dbraw/zinc/30/67/09/210306709.db2.gz MCQQTDAWUXZMTO-QHCPKHFHSA-N 0 0 379.456 3.984 50 10 GHCARN COC(=O)C1=CN(c2ccc(C)c(Cl)c2)c2cc(F)ccc2S1(=O)=O ZINC000064979212 136158420 /nfs/dbraw/zinc/15/84/20/136158420.db2.gz NRUUWDRNCMTCRC-UHFFFAOYSA-N 0 0 381.812 3.727 50 10 GHCARN C[C@H]1CCCN(c2ccc(CNC(=O)c3cc(-c4ccncc4)n[nH]3)cc2)C1 ZINC000097515062 136188368 /nfs/dbraw/zinc/18/83/68/136188368.db2.gz NEWXGOVAJWLDEM-INIZCTEOSA-N 0 0 375.476 3.638 50 10 GHCARN COc1ccccc1NC(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000006096777 570242755 /nfs/dbraw/zinc/24/27/55/570242755.db2.gz JACILMGOGWRKOA-NTEUORMPSA-N 0 0 390.511 3.597 50 10 GHCARN CC(C)OC(=O)COc1ccc2c(c1)oc(=O)cc2-c1cccc([N+](=O)[O-])c1 ZINC000001134174 570246542 /nfs/dbraw/zinc/24/65/42/570246542.db2.gz UDCPBMQBWQIBHG-UHFFFAOYSA-N 0 0 383.356 3.699 50 10 GHCARN O=C(COc1ccc(Cl)cc1)NCc1ccc(N2CCSCC2)cc1 ZINC000048368371 570248064 /nfs/dbraw/zinc/24/80/64/570248064.db2.gz XPPHRRMKWQEANA-UHFFFAOYSA-N 0 0 376.909 3.588 50 10 GHCARN Cc1[nH]c2ccccc2c1/C=C1/C(=N)N2N=C(c3cccnc3)SC2=NC1=O ZINC000049672413 570271568 /nfs/dbraw/zinc/27/15/68/570271568.db2.gz VAHKOPJUHFIHQE-ATNGQLTKSA-N 0 0 386.440 3.539 50 10 GHCARN CCN(CC)c1ccc(/C=C2/N=C(c3ccc(NC(C)=O)cc3)OC2=O)cc1 ZINC000000675949 570290000 /nfs/dbraw/zinc/29/00/00/570290000.db2.gz XSQMOVOYOJONKW-XSFVSMFZSA-N 0 0 377.444 3.836 50 10 GHCARN CCSC1=NSC2=NC(=O)/C(=C\c3cccn3-c3ccc(F)cc3)C(=N)N12 ZINC000004909314 570362123 /nfs/dbraw/zinc/36/21/23/570362123.db2.gz DDUZNHXBTVGBTQ-UKMRQWHXSA-N 0 0 399.476 3.946 50 10 GHCARN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000122349507 570421433 /nfs/dbraw/zinc/42/14/33/570421433.db2.gz YSKKRXZBBMPAQT-UHFFFAOYSA-N 0 0 394.402 3.921 50 10 GHCARN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000006715986 570489770 /nfs/dbraw/zinc/48/97/70/570489770.db2.gz XUJMWBNOTQXMPW-HXUWFJFHSA-N 0 0 388.895 3.855 50 10 GHCARN Cc1ccc(OS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000005234073 570523632 /nfs/dbraw/zinc/52/36/32/570523632.db2.gz MTKALGAYAYXXBE-UHFFFAOYSA-N 0 0 378.405 3.538 50 10 GHCARN CN(c1ccc(CNC(=O)c2cccc3c2OCC(=O)N3)cc1)C1CCCCC1 ZINC000097551736 570549004 /nfs/dbraw/zinc/54/90/04/570549004.db2.gz HQWDDNCFOFOSDG-UHFFFAOYSA-N 0 0 393.487 3.716 50 10 GHCARN O=C(Nc1ccc(F)cc1)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000004601082 570651900 /nfs/dbraw/zinc/65/19/00/570651900.db2.gz OOGIXDSZDQTZBO-UHFFFAOYSA-N 0 0 390.326 3.762 50 10 GHCARN Cc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c(C)n1Cc1ccccc1 ZINC000005576309 570659448 /nfs/dbraw/zinc/65/94/48/570659448.db2.gz AHNHRJXODLAYIN-RPKGUNMRSA-N 0 0 377.473 3.792 50 10 GHCARN COc1cccc(-n2c(C)cc(C(=O)N3CCN(c4nccs4)CC3)c2C)c1 ZINC000032612306 570691506 /nfs/dbraw/zinc/69/15/06/570691506.db2.gz CPTXTNGSCDPJKS-UHFFFAOYSA-N 0 0 396.516 3.522 50 10 GHCARN O=C(OCCNc1cccc2c1C(=O)c1ccccc1C2=O)c1cccs1 ZINC000004622734 570698918 /nfs/dbraw/zinc/69/89/18/570698918.db2.gz HEZVCBLQWGLUHF-UHFFFAOYSA-N 0 0 377.421 3.792 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3cc(C)n(Cc4ccco4)c3C)CC2)cc1 ZINC000012556190 570858887 /nfs/dbraw/zinc/85/88/87/570858887.db2.gz OVCMWKCHVHKLIY-UHFFFAOYSA-N 0 0 393.487 3.717 50 10 GHCARN COc1cc(C=C2SC(Nc3ccccc3O)=NC2=O)cc(OC)c1OC ZINC000016770032 570909566 /nfs/dbraw/zinc/90/95/66/570909566.db2.gz JINPBEDLKWVTRL-YBEGLDIGSA-N 0 0 386.429 3.500 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3csc(Nc4ccccc4)n3)CC2)cc1 ZINC000023136752 570916146 /nfs/dbraw/zinc/91/61/46/570916146.db2.gz URBSKTKQHWGMQO-UHFFFAOYSA-N 0 0 394.500 3.858 50 10 GHCARN COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)C3CC3)CC2)cc1 ZINC000023181583 570943993 /nfs/dbraw/zinc/94/39/93/570943993.db2.gz UWNHEZYWERCZFZ-KKSFZXQISA-N 0 0 399.560 3.535 50 10 GHCARN CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2c(C[NH+](C)C)c1[O-] ZINC000004746131 570960337 /nfs/dbraw/zinc/96/03/37/570960337.db2.gz QLIAUBUSPMHXSA-UHFFFAOYSA-N 0 0 381.428 3.827 50 10 GHCARN COc1ccc(N2CCN(C(=O)CSc3nc4ccccc4s3)CC2)cc1 ZINC000003547238 862482827 /nfs/dbraw/zinc/48/28/27/862482827.db2.gz SLTKCSAMUFNHBR-UHFFFAOYSA-N 0 0 399.541 3.746 50 10 GHCARN Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1C(C)C ZINC000003659312 862547788 /nfs/dbraw/zinc/54/77/88/862547788.db2.gz ARGLRXKUMZJZEZ-ODLFYWEKSA-N 0 0 394.475 3.526 50 10 GHCARN CCCCNC(=O)c1cc(NCCCC)c2c(c1N)C(=O)c1ccccc1C2=O ZINC000004170593 862839410 /nfs/dbraw/zinc/83/94/10/862839410.db2.gz MMXBBSSSGMVROC-UHFFFAOYSA-N 0 0 393.487 3.786 50 10 GHCARN CC(=O)N1CCC([C@H]2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)CC1 ZINC000581800633 869999814 /nfs/dbraw/zinc/99/98/14/869999814.db2.gz PYGHXDVSNBSNCD-QFIPXVFZSA-N 0 0 393.531 3.815 50 10 GHCARN CC[C@@H](C)N1C(=O)C(=Cc2c(C)[nH]c3ccc([N+](=O)[O-])cc32)C(=O)NC1=S ZINC000001152564 918470144 /nfs/dbraw/zinc/47/01/44/918470144.db2.gz IBDSBOTUXHCPGR-MBBDXHFBSA-N 0 0 386.433 3.650 50 10 GHCARN O=C(NN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)c1ccc(F)cc1 ZINC000001257918 212231866 /nfs/dbraw/zinc/23/18/66/212231866.db2.gz UPYAFJAAGLQDTK-ZROIWOOFSA-N 0 0 376.409 3.511 50 10 GHCARN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccccn1 ZINC000000661765 212171236 /nfs/dbraw/zinc/17/12/36/212171236.db2.gz SBAPFYCAOJYFDI-XDHOZWIPSA-N 0 0 390.418 3.721 50 10 aggregator GHCARN O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)NC1CCCC1 ZINC000008709798 221050444 /nfs/dbraw/zinc/05/04/44/221050444.db2.gz LPCDITRAYFTNPF-SFHVURJKSA-N 0 0 385.533 3.880 50 10 GHCARN CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)NC1=S ZINC000009361104 221079411 /nfs/dbraw/zinc/07/94/11/221079411.db2.gz NSHOCVCLIRSZMM-YBEGLDIGSA-N 0 0 387.892 3.805 50 10 GHCARN COCCn1c(C)cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1C ZINC000012916667 221245532 /nfs/dbraw/zinc/24/55/32/221245532.db2.gz LYYOTYZVQULGEJ-YBEGLDIGSA-N 0 0 376.503 3.746 50 10 GHCARN CCOc1c(O)ccc(/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)c1[N+](=O)[O-] ZINC000013914372 221293482 /nfs/dbraw/zinc/29/34/82/221293482.db2.gz SJAAGLUIKSJTCU-WJDWOHSUSA-N 0 0 381.388 3.814 50 10 GHCARN O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N1CCCC1 ZINC000013809801 221290774 /nfs/dbraw/zinc/29/07/74/221290774.db2.gz NWTCZMZAZWCORC-KAMYIIQDSA-N 0 0 380.922 3.554 50 10 GHCARN COc1ccc(OCCOc2ccccc2C=C2SC(=S)NC2=O)cc1 ZINC000015800693 221345623 /nfs/dbraw/zinc/34/56/23/221345623.db2.gz SJFWPJOSKLKXGB-ATVHPVEESA-N 0 0 387.482 3.642 50 10 GHCARN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(O)cc1 ZINC000016183545 221358895 /nfs/dbraw/zinc/35/88/95/221358895.db2.gz IYDXZSFGDJLBIY-NDENLUEZSA-N 0 0 387.464 3.570 50 10 GHCARN Cc1ccccc1NC1=NC(=O)C(=Cc2ccc(N3CCOCC3)cc2)S1 ZINC000059459397 136155705 /nfs/dbraw/zinc/15/57/05/136155705.db2.gz CGKADHZHSDAYSO-RGEXLXHISA-N 0 0 379.485 3.914 50 10 GHCARN C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(Cn4cccn4)o3)cc2)C1 ZINC000216236590 136203084 /nfs/dbraw/zinc/20/30/84/136203084.db2.gz PVXDOLNLJGUPTB-QGZVFWFLSA-N 0 0 378.476 3.691 50 10 GHCARN CN(C)c1ccc(CNC(=O)c2cccc(-c3nc4cccnc4n3C)c2)cc1 ZINC000065172672 222105656 /nfs/dbraw/zinc/10/56/56/222105656.db2.gz IOUZIRCSQXCVBH-UHFFFAOYSA-N 0 0 385.471 3.631 50 10 GHCARN COc1ccc(N(C)C(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cn1 ZINC000065591444 222135496 /nfs/dbraw/zinc/13/54/96/222135496.db2.gz XYWHIZGOQOHRME-UHFFFAOYSA-N 0 0 393.443 3.546 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3c[nH]nc3-c3ccc(Cl)cc3)CC2)cc1 ZINC000054446826 536689276 /nfs/dbraw/zinc/68/92/76/536689276.db2.gz RYGCZUMDGFLGEE-UHFFFAOYSA-N 0 0 396.878 3.701 50 10 GHCARN COc1ccc(/C=C2\SC(=S)N(CNc3ccccc3OC)C2=O)cc1 ZINC000035386054 570347898 /nfs/dbraw/zinc/34/78/98/570347898.db2.gz FKYDLWIOEUVHEW-BOPFTXTBSA-N 0 0 386.498 3.975 50 10 GHCARN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2)C1=O ZINC000004457097 570375720 /nfs/dbraw/zinc/37/57/20/570375720.db2.gz JEWXWNNYVNMTQJ-DLRWLJPMSA-N 0 0 388.489 3.665 50 10 GHCARN Nc1c(N2CCCC2)cc(NCc2ccco2)c2c1C(=O)c1ccccc1C2=O ZINC000006663212 570526703 /nfs/dbraw/zinc/52/67/03/570526703.db2.gz ORQGKNKWDJQVIW-UHFFFAOYSA-N 0 0 387.439 3.850 50 10 GHCARN Cc1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000004404783 570741070 /nfs/dbraw/zinc/74/10/70/570741070.db2.gz JWYNVGAVQYFXCJ-UHFFFAOYSA-N 0 0 393.487 3.758 50 10 GHCARN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C/c1cccs1 ZINC000005825926 570795215 /nfs/dbraw/zinc/79/52/15/570795215.db2.gz HEUMLELVBKUANX-RVDMUPIBSA-N 0 0 385.441 3.643 50 10 GHCARN COc1ccc(N2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCC5)cc1OC ZINC000002118061 570953445 /nfs/dbraw/zinc/95/34/45/570953445.db2.gz BFTWXOABOHGQFF-UHFFFAOYSA-N 0 0 393.439 3.964 50 10 biogenic GHCARN O=C(Oc1cccc2c1C(=O)c1c(O)cccc1C2=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000005003652 570994714 /nfs/dbraw/zinc/99/47/14/570994714.db2.gz RALBSMPFIOXCGQ-DLBZAZTESA-N 0 0 384.387 3.877 50 10 GHCARN Cc1nnc2n1N[C@@H](c1ccc(N(C)C)cc1)[C@H](C(=O)c1ccc(C)cc1)S2 ZINC000003258353 862287266 /nfs/dbraw/zinc/28/72/66/862287266.db2.gz HUMULPMOVXZNNX-AZUAARDMSA-N 0 0 393.516 3.603 50 10 GHCARN Cc1ccccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000004258144 862908672 /nfs/dbraw/zinc/90/86/72/862908672.db2.gz AVBVEAIKSYCLSR-UHFFFAOYSA-N 0 0 386.363 3.931 50 10 GHCARN CO[C@@H]1CCOC2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)C1 ZINC000169773076 859769289 /nfs/dbraw/zinc/76/92/89/859769289.db2.gz PCBWDXVNLNHFHY-OAQYLSRUSA-N 0 0 382.504 3.894 50 10 GHCARN CC(C)(C)c1ccc(C(=O)NN2C(=O)/C(=C\c3cccnc3)SC2=S)cc1 ZINC000004872028 901536057 /nfs/dbraw/zinc/53/60/57/901536057.db2.gz QMVISUGQWXMKKH-LFIBNONCSA-N 0 0 397.525 3.925 50 10 GHCARN CC[C@H](C)N1C(=O)C(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)NC1=S ZINC000001146071 918463646 /nfs/dbraw/zinc/46/36/46/918463646.db2.gz OYYBVVMXENNZOZ-JASJWYONSA-N 0 0 398.444 3.651 50 10 GHCARN C/C(=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCCC1 ZINC000001199778 212228481 /nfs/dbraw/zinc/22/84/81/212228481.db2.gz LTCCDHVESPODMN-JLHYYAGUSA-N 0 0 380.395 3.931 50 10 GHCARN O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1C1CCCCC1 ZINC000001177892 212225861 /nfs/dbraw/zinc/22/58/61/212225861.db2.gz RFVHEGZIAIFSQC-VIZOYTHASA-N 0 0 392.458 3.857 50 10 GHCARN Cc1ccc(C2=NN[C@H](c3cc(Br)cc4c3OCOC4)C2)c(O)c1 ZINC000026534205 212158775 /nfs/dbraw/zinc/15/87/75/212158775.db2.gz JOAJTMIMLQOPTE-INIZCTEOSA-N 0 0 389.249 3.768 50 10 GHCARN CCOc1ccc(/C=C2\SC(=S)N(CN3CCCC3)C2=O)cc1OCC ZINC000334163278 212110028 /nfs/dbraw/zinc/11/00/28/212110028.db2.gz NIYXFTMNTOTFFK-ATVHPVEESA-N 0 0 392.546 3.739 50 10 GHCARN O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(O)cc1 ZINC000001907835 220500384 /nfs/dbraw/zinc/50/03/84/220500384.db2.gz IFGGXHKQKCQQMC-FOWTUZBSSA-N 0 0 384.482 3.622 50 10 GHCARN Cc1cc(C(=O)NC[C@@H]2COc3ccccc3O2)c(C)n1-c1cccc(C)c1 ZINC000003350869 220632647 /nfs/dbraw/zinc/63/26/47/220632647.db2.gz XWNIYVABCVESLV-LJQANCHMSA-N 0 0 376.456 3.972 50 10 GHCARN Cc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 ZINC000006747933 220956962 /nfs/dbraw/zinc/95/69/62/220956962.db2.gz YBFCQKFAKITKIY-JOCHJYFZSA-N 0 0 382.504 3.648 50 10 GHCARN CC(C)(C)NC(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000008911460 221062358 /nfs/dbraw/zinc/06/23/58/221062358.db2.gz KGCGOFMXJNGYPI-JLHYYAGUSA-N 0 0 382.938 3.846 50 10 GHCARN CCOC(=O)CCc1c(C)c2cc(C[NH+]3CCCCC3)c([O-])c(C)c2oc1=O ZINC000009476735 221082716 /nfs/dbraw/zinc/08/27/16/221082716.db2.gz XOHJPALVJKSUSH-UHFFFAOYSA-N 0 0 387.476 3.597 50 10 GHCARN COc1ccc(N(Cc2ccccc2)Cc2cc(=O)n3ccsc3n2)cc1 ZINC000010395177 221102836 /nfs/dbraw/zinc/10/28/36/221102836.db2.gz RJPGYLCYQIWZAN-UHFFFAOYSA-N 0 0 377.469 3.971 50 10 GHCARN Cc1cc(O)c(CN2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1C ZINC000014238584 221306234 /nfs/dbraw/zinc/30/62/34/221306234.db2.gz CPKBKHWLEUIICL-UHFFFAOYSA-N 0 0 382.548 3.870 50 10 GHCARN COc1cccc(CN2CCN(C/C=C/c3ccc(N(C)C)cc3)CCC2=O)c1 ZINC000014999353 221326573 /nfs/dbraw/zinc/32/65/73/221326573.db2.gz MOXBCNJVZVOLJW-FNORWQNLSA-N 0 0 393.531 3.509 50 10 GHCARN Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3O)C2=O)cc1 ZINC000016739212 221369763 /nfs/dbraw/zinc/36/97/63/221369763.db2.gz DUKKKAKUOKSVGI-YBEGLDIGSA-N 0 0 384.482 3.541 50 10 GHCARN Cc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)cc1 ZINC000044169777 132417993 /nfs/dbraw/zinc/41/79/93/132417993.db2.gz QSSHGPIOLXSNGB-UHFFFAOYSA-N 0 0 382.485 3.774 50 10 GHCARN O=C1c2oc3c(ccc4c3CN(C[C@H]3CCCO3)CO4)c2C(=O)c2ccccc21 ZINC000049563738 222000814 /nfs/dbraw/zinc/00/08/14/222000814.db2.gz WSCPPQUBHLUYHW-CYBMUJFWSA-N 0 0 389.407 3.539 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3ccnc(-c4cccs4)c3)CC2)cc1 ZINC000065063082 536689162 /nfs/dbraw/zinc/68/91/62/536689162.db2.gz QWGBQYATQHZBBL-UHFFFAOYSA-N 0 0 379.485 3.781 50 10 GHCARN O=C1N/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccccc1F ZINC000000686535 570291796 /nfs/dbraw/zinc/29/17/96/570291796.db2.gz TZWGBWKXSAARSE-PDGQHHTCSA-N 0 0 383.398 3.658 50 10 GHCARN COc1ccnc(CNC(=O)c2ccc(-n3c(C)cc(C(C)=O)c3C)cc2)c1 ZINC000218978639 570344855 /nfs/dbraw/zinc/34/48/55/570344855.db2.gz KCTXIEDKQFONPG-UHFFFAOYSA-N 0 0 377.444 3.630 50 10 GHCARN CC(C)OC(=O)c1cccc(-c2ccc(C=C3C(=O)OC(C)(C)OC3=O)o2)c1 ZINC000006256415 570350647 /nfs/dbraw/zinc/35/06/47/570350647.db2.gz FGKKYGGMJGAORQ-UHFFFAOYSA-N 0 0 384.384 3.731 50 10 GHCARN CCCCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(N(CC)CC)cc1 ZINC000003879095 570352900 /nfs/dbraw/zinc/35/29/00/570352900.db2.gz MYJWQYMOOJWRGL-SFHVURJKSA-N 0 0 375.538 3.669 50 10 GHCARN COc1ccc2c3c(n(Cc4ccccn4)c(=O)c2c1OC)-c1ccccc1C3=O ZINC000604404181 570360986 /nfs/dbraw/zinc/36/09/86/570360986.db2.gz KQSAHNBOCNVTRJ-UHFFFAOYSA-N 0 0 398.418 3.673 50 10 biogenic GHCARN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2C[C@@H](O)c1ccc(O)cc1 ZINC000604405319 570361666 /nfs/dbraw/zinc/36/16/66/570361666.db2.gz YWYXDQRYRAQORH-HXUWFJFHSA-N 0 0 383.403 3.652 50 10 biogenic GHCARN CC(=O)OCCNc1cc(N2CCCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000004961924 570383320 /nfs/dbraw/zinc/38/33/20/570383320.db2.gz ZCBJUERRZJAGFD-UHFFFAOYSA-N 0 0 391.427 3.614 50 10 GHCARN C[C@H]1CN(C2=NC(=O)/C(=C\c3cccc(Br)c3)S2)C[C@H](C)O1 ZINC000004754895 570403153 /nfs/dbraw/zinc/40/31/53/570403153.db2.gz LLFMTYDCNKDIDJ-UDDXXMGHSA-N 0 0 381.295 3.529 50 10 GHCARN COc1ccc(/C=C2/N=C(c3ccccc3)N(c3nccs3)C2=O)cc1OC ZINC000002363522 570543793 /nfs/dbraw/zinc/54/37/93/570543793.db2.gz JNLSHZMRPKEAMI-FOWTUZBSSA-N 0 0 391.452 3.995 50 10 GHCARN COc1cccc(NC(=S)/C=C2\NCCc3cc4c(cc32)OCCCO4)c1 ZINC000101377005 570821374 /nfs/dbraw/zinc/82/13/74/570821374.db2.gz OQOOSSCWBHERJP-AQTBWJFISA-N 0 0 382.485 3.783 50 10 GHCARN COC(=O)[C@H](C)N1C(=O)/C(=C/c2c(OC)ccc3ccccc32)SC1=S ZINC000001239091 570947937 /nfs/dbraw/zinc/94/79/37/570947937.db2.gz KXUUDEFDQPUWLX-OKHBPPCESA-N 0 0 387.482 3.611 50 10 GHCARN O=C(Nc1cccc(-c2nnco2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000047487497 570959115 /nfs/dbraw/zinc/95/91/15/570959115.db2.gz UXKBJXPUYNIZLR-SFHVURJKSA-N 0 0 394.431 3.655 50 10 GHCARN Oc1ccc(Br)cc1CN1CCN(Cc2ccc(F)cc2)CC1 ZINC000019364177 570979760 /nfs/dbraw/zinc/97/97/60/570979760.db2.gz JRARTRMJEQCXOK-UHFFFAOYSA-N 0 0 379.273 3.612 50 10 GHCARN Cc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)c(C)n1-c1ccc(C)cc1C ZINC000033332259 570988379 /nfs/dbraw/zinc/98/83/79/570988379.db2.gz PPVQGNWUHLMJQU-YAPNPGLHSA-N 0 0 377.473 3.960 50 10 GHCARN Cc1cc(C)c(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)cc1C ZINC000028964517 852363340 /nfs/dbraw/zinc/36/33/40/852363340.db2.gz HLVPDIXHJNCVGR-AQTBWJFISA-N 0 0 390.574 3.535 50 10 GHCARN Cc1c(CCNC(=O)[C@H]2Cc3ccccc3CN2C)c2cccc3c2n1CCC3 ZINC000670465095 863000903 /nfs/dbraw/zinc/00/09/03/863000903.db2.gz AZBKWTCTSOCEEI-HSZRJFAPSA-N 0 0 387.527 3.611 50 10 GHCARN CC(C)OCCS(=O)(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000095461774 860592974 /nfs/dbraw/zinc/59/29/74/860592974.db2.gz RVCPMBZQCAQXQK-KRWDZBQOSA-N 0 0 377.506 3.710 50 10 GHCARN O=C(C1=NOC2(C(=O)c3ccccc3C2=O)[C@H]1c1ccccc1)c1ccccc1 ZINC000001019405 212206079 /nfs/dbraw/zinc/20/60/79/212206079.db2.gz OIEOCNGMVWZUDX-IBGZPJMESA-N 0 0 381.387 3.857 50 10 GHCARN CC1(C)Cc2c(cc(-c3ccccc3)n2-c2ccc(S(N)(=O)=O)cc2)C(=O)C1 ZINC000000713778 212176777 /nfs/dbraw/zinc/17/67/77/212176777.db2.gz CPBFVXVCPWBDCR-UHFFFAOYSA-N 0 0 394.496 3.947 50 10 GHCARN CCN1C(=O)[N-]C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O ZINC000000665264 212170582 /nfs/dbraw/zinc/17/05/82/212170582.db2.gz ZLFKGPBYTAPONH-DHZHZOJOSA-N 0 0 379.199 3.735 50 10 GHCARN COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c(Cl)c1Cl ZINC000000665463 212170477 /nfs/dbraw/zinc/17/04/77/212170477.db2.gz BDJOXNKASGDNGC-UHFFFAOYSA-N 0 0 376.217 3.532 50 10 GHCARN CCc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(O)cc3)C2=O)cc1 ZINC000001186591 220482717 /nfs/dbraw/zinc/48/27/17/220482717.db2.gz XQJANDOWXUXFJA-BOPFTXTBSA-N 0 0 398.509 3.795 50 10 GHCARN CC(=O)Nc1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 ZINC000004291563 220701500 /nfs/dbraw/zinc/70/15/00/220701500.db2.gz VRXCBIGFTALWJV-YBEGLDIGSA-N 0 0 399.453 3.959 50 10 GHCARN Cc1ccccc1OCC1=NN2C(=NC(=O)/C(=C\c3cccs3)C2=N)S1 ZINC000004865685 220778980 /nfs/dbraw/zinc/77/89/80/220778980.db2.gz PQPWLJGDTBQDDL-NXHHHXCLSA-N 0 0 382.470 3.755 50 10 GHCARN COc1cc(Br)cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c1O ZINC000007886340 221016130 /nfs/dbraw/zinc/01/61/30/221016130.db2.gz TYSDTEMBWOVZTR-QGZVFWFLSA-N 0 0 389.249 3.892 50 10 GHCARN COc1ccc(N2CCN(CC(=O)NC3CCC(C(C)(C)C)CC3)CC2)cc1 ZINC000013323406 221264789 /nfs/dbraw/zinc/26/47/89/221264789.db2.gz KDPAVGUKLLZHDO-UHFFFAOYSA-N 0 0 387.568 3.538 50 10 GHCARN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Br)c1O ZINC000017242067 221381720 /nfs/dbraw/zinc/38/17/20/221381720.db2.gz IVQPKLDOZSUSJC-ZSOIEALJSA-N 0 0 387.233 3.969 50 10 GHCARN C[C@H]1CN(c2ccc(CNC(=O)CCC(=O)c3ccccc3)cc2F)C[C@H](C)O1 ZINC000048365412 132433118 /nfs/dbraw/zinc/43/31/18/132433118.db2.gz SKLPOZAARUQOMB-IRXDYDNUSA-N 0 0 398.478 3.719 50 10 GHCARN CN1CCCc2cc(/C=C\C(=O)NC(C)(C)c3noc(C(C)(C)C)n3)ccc21 ZINC000098055629 136188799 /nfs/dbraw/zinc/18/87/99/136188799.db2.gz GZUOVRAAFXCYNS-BENRWUELSA-N 0 0 382.508 3.814 50 10 GHCARN O=C(Nc1cccc(C=C2SC(NC3CCCC3)=NC2=O)c1)C(F)(F)F ZINC000022135231 221554125 /nfs/dbraw/zinc/55/41/25/221554125.db2.gz OJHXIGSKQSGKKL-LCYFTJDESA-N 0 0 383.395 3.690 50 10 GHCARN COc1ccc(O)c(CN2CCOc3c(O)cc(-c4ccccn4)cc3C2)c1 ZINC000064103272 222069689 /nfs/dbraw/zinc/06/96/89/222069689.db2.gz RTKVSUNUKANNOU-UHFFFAOYSA-N 0 0 378.428 3.563 50 10 GHCARN CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NC2CCCCC2)cc1 ZINC000071788886 222198324 /nfs/dbraw/zinc/19/83/24/222198324.db2.gz DFDBGFPLQWPSHV-OQKWZONESA-N 0 0 391.515 3.972 50 10 GHCARN Oc1ccccc1CN(Cc1noc(Cc2ccccc2)n1)C[C@H]1CCCO1 ZINC000095957568 222363708 /nfs/dbraw/zinc/36/37/08/222363708.db2.gz UTVXQZCUSOPLKM-LJQANCHMSA-N 0 0 379.460 3.547 50 10 GHCARN CN1CCCc2cc(CNC(=O)Nc3nc(-c4ccccc4)ns3)ccc21 ZINC000058516659 536396121 /nfs/dbraw/zinc/39/61/21/536396121.db2.gz XVMAMTMBRLKOLG-UHFFFAOYSA-N 0 0 379.489 3.909 50 10 GHCARN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000000660194 570286999 /nfs/dbraw/zinc/28/69/99/570286999.db2.gz HRKRCZNQAKDYJT-UYRXBGFRSA-N 0 0 379.412 3.581 50 10 GHCARN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1CCCC1 ZINC000002597244 570291935 /nfs/dbraw/zinc/29/19/35/570291935.db2.gz NWKBKECMAQEQBT-SDNWHVSQSA-N 0 0 380.560 3.788 50 10 GHCARN Cc1cc(C)c2c(N)c(C(=O)OCC(=O)Nc3cc(F)ccc3F)sc2n1 ZINC000021924057 570299262 /nfs/dbraw/zinc/29/92/62/570299262.db2.gz UFOMUMGSELAUSS-UHFFFAOYSA-N 0 0 391.399 3.569 50 10 GHCARN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1[N+](=O)[O-] ZINC000004648859 570389391 /nfs/dbraw/zinc/38/93/91/570389391.db2.gz IUPDDVFWTOSRKE-NTEUORMPSA-N 0 0 387.398 3.909 50 10 GHCARN Cc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1cccc(F)c1 ZINC000033666840 570393347 /nfs/dbraw/zinc/39/33/47/570393347.db2.gz IDNJLCMOZQKWQH-UMDJYDDXSA-N 0 0 381.436 3.872 50 10 GHCARN CCN(CC)c1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(OC)c1 ZINC000004702401 570395449 /nfs/dbraw/zinc/39/54/49/570395449.db2.gz PSLHCZWXYYBLLP-XDHOZWIPSA-N 0 0 397.450 3.773 50 10 GHCARN N=C1/C(=C/c2ccc3c(c2)OCO3)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000004724302 570397925 /nfs/dbraw/zinc/39/79/25/570397925.db2.gz SFBDCKHLMNVGPJ-TUQWILOLSA-N 0 0 382.445 3.615 50 10 GHCARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000005044013 570405286 /nfs/dbraw/zinc/40/52/86/570405286.db2.gz AFYOJVLGKVDXRY-QGZVFWFLSA-N 0 0 389.249 3.861 50 10 GHCARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(Br)cc3)C2)c(O)c1 ZINC000005163506 570468802 /nfs/dbraw/zinc/46/88/02/570468802.db2.gz LLEZIRBHICTNNA-QGZVFWFLSA-N 0 0 389.249 3.861 50 10 GHCARN CCN1C(=O)/C(=C/C=C2/SCCN2CCc2ccccc2)SC1=S ZINC000030721820 570493699 /nfs/dbraw/zinc/49/36/99/570493699.db2.gz VKSRNPAPESYEEW-IZKYPSLPSA-N 0 0 376.572 3.883 50 10 GHCARN COc1ccc(-n2c(C)c(C(C)=O)c3c2ccc(O)c3CN2CCOCC2)cc1 ZINC000038558501 570580937 /nfs/dbraw/zinc/58/09/37/570580937.db2.gz CGQKOJRCNHSFRY-UHFFFAOYSA-N 0 0 394.471 3.688 50 10 GHCARN CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnc(N)s3)c2C)cc1 ZINC000005405054 570587405 /nfs/dbraw/zinc/58/74/05/570587405.db2.gz XXHILZMNQPHYRY-UHFFFAOYSA-N 0 0 388.518 3.902 50 10 GHCARN CCN1C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)NC1=S ZINC000006783659 570590032 /nfs/dbraw/zinc/59/00/32/570590032.db2.gz IQBPQFIKVVGSIM-PDGQHHTCSA-N 0 0 389.480 3.748 50 10 GHCARN Cc1cc(C(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000006832169 570636124 /nfs/dbraw/zinc/63/61/24/570636124.db2.gz ISEAZPPCXKRKIH-FQEVSTJZSA-N 0 0 395.503 3.860 50 10 GHCARN O=C1N/C(=C\c2ccc(N3CCCCC3)cc2F)C(=O)N1Cc1ccccc1 ZINC000000980766 570742938 /nfs/dbraw/zinc/74/29/38/570742938.db2.gz DTTNYNUVKJNEBV-MOSHPQCFSA-N 0 0 379.435 3.909 50 10 GHCARN CC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)N1c2ccccc2CCCC1=O ZINC000021870965 570751322 /nfs/dbraw/zinc/75/13/22/570751322.db2.gz WLQZHBSKORAAOV-FQEVSTJZSA-N 0 0 379.504 3.517 50 10 GHCARN COc1cccc(C2=NN(C(=O)CN3CCCCC3)[C@@H](c3cccs3)C2)c1O ZINC000170615288 570872927 /nfs/dbraw/zinc/87/29/27/570872927.db2.gz ZQUQTJGLOCCPAM-QGZVFWFLSA-N 0 0 399.516 3.626 50 10 GHCARN COc1cc(OC)cc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccccc3O)C2)c1 ZINC000170615736 570873310 /nfs/dbraw/zinc/87/33/10/570873310.db2.gz YHLDSIVAPPSQRI-LJQANCHMSA-N 0 0 392.411 3.994 50 10 GHCARN CCN1C(=O)C(=Cc2ccc(-c3ccc(F)cc3F)o2)C(=O)N(CC)C1=S ZINC000001406869 570984179 /nfs/dbraw/zinc/98/41/79/570984179.db2.gz GJEMEZFCRGYJBE-UHFFFAOYSA-N 0 0 390.411 3.604 50 10 GHCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc2ccccc2nc1N1CCOCC1 ZINC000103452241 838419767 /nfs/dbraw/zinc/41/97/67/838419767.db2.gz CFXGYMDJVATGFD-LTGZKZEYSA-N 0 0 398.466 3.878 50 10 GHCARN Cc1cc(C(=O)NC[C@H]2COc3ccccc3O2)c(C)n1-c1cccc(C)c1 ZINC000003350867 862359276 /nfs/dbraw/zinc/35/92/76/862359276.db2.gz XWNIYVABCVESLV-IBGZPJMESA-N 0 0 376.456 3.972 50 10 GHCARN O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NC1CCCCC1 ZINC000004263545 862913235 /nfs/dbraw/zinc/91/32/35/862913235.db2.gz CULWZZVWMXRPMA-NTCAYCPXSA-N 0 0 378.519 3.710 50 10 GHCARN COc1ccccc1/C=C1\SC(N2CCN(c3ccccc3C)CC2)=NC1=O ZINC000002423745 858741803 /nfs/dbraw/zinc/74/18/03/858741803.db2.gz CPNHNMWZEBXCHF-HKWRFOASSA-N 0 0 393.512 3.796 50 10 GHCARN CCSC1=NSC2=NC(=O)/C(=C\c3cccn3-c3ccccc3)C(=N)N12 ZINC000020211055 860515829 /nfs/dbraw/zinc/51/58/29/860515829.db2.gz IXFVDTWGPBGAAG-JCOXHHPGSA-N 0 0 381.486 3.807 50 10 GHCARN CCN1CCN(CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1 ZINC000022580414 861154095 /nfs/dbraw/zinc/15/40/95/861154095.db2.gz GGNHHANYKZMQAA-UHFFFAOYSA-N 0 0 393.453 3.933 50 10 GHCARN O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1ccc(O)cc1 ZINC000001471541 212247984 /nfs/dbraw/zinc/24/79/84/212247984.db2.gz QGDATRCKKBGLBA-PDGQHHTCSA-N 0 0 399.903 3.838 50 10 GHCARN COc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1O ZINC000001416609 212243421 /nfs/dbraw/zinc/24/34/21/212243421.db2.gz BJWYUTHUVWPKSD-FRKPEAEDSA-N 0 0 387.438 3.535 50 10 GHCARN COc1ccc([C@]2(c3ccc(O)cc3O)C[C@H](c3ccco3)NC(=S)N2)cc1 ZINC000001072539 212213546 /nfs/dbraw/zinc/21/35/46/212213546.db2.gz KXWJJGUWUDIHFH-UTKZUKDTSA-N 0 0 396.468 3.552 50 10 GHCARN CN1C(=O)C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N(C)C1=S ZINC000001063309 212212237 /nfs/dbraw/zinc/21/22/37/212212237.db2.gz MEYZVVONWHLWQL-UHFFFAOYSA-N 0 0 394.374 3.564 50 10 GHCARN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000000650396 212169445 /nfs/dbraw/zinc/16/94/45/212169445.db2.gz LUNJBLOQCQYZFS-UNOMPAQXSA-N 0 0 392.411 3.776 50 10 GHCARN O=c1c(-c2ccc3c(c2)OCCO3)coc2c1ccc([O-])c2C[NH+]1CCCC1 ZINC000020461331 212152389 /nfs/dbraw/zinc/15/23/89/212152389.db2.gz ABFOABXPWKRNOO-UHFFFAOYSA-N 0 0 379.412 3.533 50 10 biogenic GHCARN CN1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N(C)C1=O ZINC000002898411 220580941 /nfs/dbraw/zinc/58/09/41/220580941.db2.gz PWATUUNDVZMGRN-UHFFFAOYSA-N 0 0 379.199 3.687 50 10 GHCARN CCOc1ccccc1NC(=S)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000003051029 220600785 /nfs/dbraw/zinc/60/07/85/220600785.db2.gz KSZNHKWZAPOEDX-INIZCTEOSA-N 0 0 385.533 3.907 50 10 GHCARN Cc1ccc(COc2ccccc2/C=C2\SC(N3CCOCC3)=NC2=O)cc1 ZINC000004681249 220746967 /nfs/dbraw/zinc/74/69/67/220746967.db2.gz OJLXGKRLBOFELX-ZHZULCJRSA-N 0 0 394.496 3.877 50 10 GHCARN COc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S ZINC000005005484 220809629 /nfs/dbraw/zinc/80/96/29/220809629.db2.gz RTGSTBRTQPTVOG-GHRIWEEISA-N 0 0 398.509 3.925 50 10 GHCARN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3O)C(C(=O)OC)=C2C)cc1 ZINC000004976558 220803996 /nfs/dbraw/zinc/80/39/96/220803996.db2.gz CSFMSSHHMXGVMR-AQTBWJFISA-N 0 0 379.412 3.668 50 10 GHCARN COc1ccc(CCN2C(=O)c3ccccc3N[C@@H]2c2cccc(O)c2O)cc1 ZINC000007884419 221016266 /nfs/dbraw/zinc/01/62/66/221016266.db2.gz HIGJQTZHBVAZAK-QFIPXVFZSA-N 0 0 390.439 3.916 50 10 GHCARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000013562477 221273509 /nfs/dbraw/zinc/27/35/09/221273509.db2.gz DGQBUKNIQCGSFH-AQTBWJFISA-N 0 0 378.384 3.862 50 10 GHCARN O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000013712790 221282744 /nfs/dbraw/zinc/28/27/44/221282744.db2.gz HIROVLNEBLWMHZ-OEMOTLHWSA-N 0 0 384.320 3.829 50 10 GHCARN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1Br ZINC000014099563 221298385 /nfs/dbraw/zinc/29/83/85/221298385.db2.gz YTQNJWUDLMOSNV-UHFFFAOYSA-N 0 0 397.338 3.726 50 10 GHCARN Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)sc2n1 ZINC000014421999 221309747 /nfs/dbraw/zinc/30/97/47/221309747.db2.gz KDVKQCRAACCTRS-LERXQTSPSA-N 0 0 389.521 3.593 50 10 GHCARN CCOc1cc(OCC)c(C=C2SC(=S)NC2=O)cc1Br ZINC000015010472 221326737 /nfs/dbraw/zinc/32/67/37/221326737.db2.gz DPIZIGDQDINNQI-SDQBBNPISA-N 0 0 388.308 3.735 50 10 GHCARN CN(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)Cc1ccccc1 ZINC000016444851 221363924 /nfs/dbraw/zinc/36/39/24/221363924.db2.gz RZASFLPSNVOABX-UHFFFAOYSA-N 0 0 384.435 3.533 50 10 GHCARN O=C1Nc2ccc([N+](=O)[O-])cc2C1=C1SC(=S)N(Cc2ccco2)C1=O ZINC000017137844 221379456 /nfs/dbraw/zinc/37/94/56/221379456.db2.gz LFTPPMYCFCQNKD-OUKQBFOZSA-N 0 0 387.398 3.561 50 10 GHCARN CCOC(=O)C1=CN(c2ccc(C)cc2)c2cc(F)c(F)cc2S1(=O)=O ZINC000067172820 136164367 /nfs/dbraw/zinc/16/43/67/136164367.db2.gz USESMNJYIURDMZ-UHFFFAOYSA-N 0 0 379.384 3.603 50 10 GHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C\c1cc2ccccc2o1 ZINC000096932176 136187912 /nfs/dbraw/zinc/18/79/12/136187912.db2.gz SLAHTHBURPFOMA-KHPPLWFESA-N 0 0 376.456 3.941 50 10 GHCARN Cc1[nH]c2ccccc2c1/C=C1\C(=O)[N-]C(=S)N(c2cccc(C)c2)C1=O ZINC000002285627 136193389 /nfs/dbraw/zinc/19/33/89/136193389.db2.gz IKNFPCPNQKNXFT-GZTJUZNOSA-N 0 0 375.453 3.616 50 10 GHCARN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1C1=C[C@H]2OCO[C@H]2C=C1 ZINC000026771500 221646155 /nfs/dbraw/zinc/64/61/55/221646155.db2.gz XCWKBNLMOGZJKV-VXXFBBPWSA-N 0 0 382.466 3.564 50 10 GHCARN COCCCn1c(N=N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc21 ZINC000027646605 221656532 /nfs/dbraw/zinc/65/65/32/221656532.db2.gz FCSPEKABVJVYEG-UHFFFAOYSA-N 0 0 380.452 3.956 50 10 in-vitro GHCARN O=C1/C(=C\c2cnn(Cc3ccccc3)c2)SC(=S)N1c1cccnc1 ZINC000071806773 222197499 /nfs/dbraw/zinc/19/74/99/222197499.db2.gz KJCNUPTVPIULGG-RQZCQDPDSA-N 0 0 378.482 3.732 50 10 GHCARN CC(C)CCN(C[C@H]1CN(Cc2ccccc2O)CCO1)C(=O)CC(C)C ZINC000034686574 570295769 /nfs/dbraw/zinc/29/57/69/570295769.db2.gz FJGVIEBHIBCRML-HXUWFJFHSA-N 0 0 376.541 3.514 50 10 GHCARN COC(=O)c1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 ZINC000004469774 570375977 /nfs/dbraw/zinc/37/59/77/570375977.db2.gz ACGKPIWJDXSTQY-CXUHLZMHSA-N 0 0 399.449 3.608 50 10 GHCARN C[C@@H]1CN(C2=NC(=O)/C(=C\c3ccc(Br)cc3)S2)C[C@@H](C)O1 ZINC000004614663 570387632 /nfs/dbraw/zinc/38/76/32/570387632.db2.gz UCXZZOXSGKTSOF-PRRORJFTSA-N 0 0 381.295 3.529 50 10 GHCARN Cc1cc(C)cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)c1 ZINC000035527521 570392467 /nfs/dbraw/zinc/39/24/67/570392467.db2.gz BHVKVWKKTLRMCX-UHFFFAOYSA-N 0 0 382.485 3.693 50 10 GHCARN Cc1cc(C(=O)NCCc2cn3ccccc3n2)c(C)n1-c1ccccc1F ZINC000029981831 570483894 /nfs/dbraw/zinc/48/38/94/570483894.db2.gz MJPQRADLEPASKS-UHFFFAOYSA-N 0 0 376.435 3.853 50 10 GHCARN CCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=N)S1 ZINC000030819127 570496696 /nfs/dbraw/zinc/49/66/96/570496696.db2.gz FCVVSMJWVGDSJW-NXHHHXCLSA-N 0 0 395.400 3.884 50 10 GHCARN COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C)SC4=NC3=O)c2C)cc1 ZINC000005487252 570613799 /nfs/dbraw/zinc/61/37/99/570613799.db2.gz GYPUFIATGBWBLK-RPKGUNMRSA-N 0 0 393.472 3.742 50 10 GHCARN COC(=O)c1cc(-c2ccc(C=C3C(=O)OC(C)(C)OC3=O)o2)ccc1Cl ZINC000005614251 570669822 /nfs/dbraw/zinc/66/98/22/570669822.db2.gz CNTAKTRTGLHPNW-UHFFFAOYSA-N 0 0 390.775 3.606 50 10 GHCARN COc1ccc(N2CCN(C(=O)CCC(=O)c3cc(C)sc3C)CC2)cc1 ZINC000003439507 570868836 /nfs/dbraw/zinc/86/88/36/570868836.db2.gz DFWIXYXJHAAACV-UHFFFAOYSA-N 0 0 386.517 3.685 50 10 GHCARN Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000002115394 570952567 /nfs/dbraw/zinc/95/25/67/570952567.db2.gz OSIOXDQPLDGMAV-NDENLUEZSA-N 0 0 390.418 3.721 50 10 GHCARN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000585140084 570966922 /nfs/dbraw/zinc/96/69/22/570966922.db2.gz AYPGGMYLACXTQQ-UHFFFAOYSA-N 0 0 399.450 3.770 50 10 GHCARN CC[C@H](C)N1C(=O)C(=Cc2cc3c4c(c2)CCCN4CCC3)C(=O)NC1=S ZINC000001240047 835494219 /nfs/dbraw/zinc/49/42/19/835494219.db2.gz DKASVHITOBKZRI-VLURKWGBSA-N 0 0 383.517 3.651 50 10 GHCARN COc1ccccc1NC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000003248201 862279541 /nfs/dbraw/zinc/27/95/41/862279541.db2.gz FZHPUSSMWBABKA-UHFFFAOYSA-N 0 0 378.428 3.898 50 10 GHCARN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1O ZINC000003864397 862615879 /nfs/dbraw/zinc/61/58/79/862615879.db2.gz IVQPKLDOZSUSJC-RIYZIHGNSA-N 0 0 387.233 3.969 50 10 GHCARN COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccccc1 ZINC000020236085 860522945 /nfs/dbraw/zinc/52/29/45/860522945.db2.gz OLDFVHDTCNBHOR-RUTCVDLDSA-N 0 0 389.411 3.725 50 10 GHCARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(N(C)C)cc2)cc1C ZINC000001185797 212227339 /nfs/dbraw/zinc/22/73/39/212227339.db2.gz JHOTZIFZBXHVEJ-FQEVSTJZSA-N 0 0 394.544 3.801 50 10 GHCARN COc1ccc(N2CCN(C(=O)CSCc3ccc(Cl)cc3)CC2)cc1 ZINC000001150187 212222677 /nfs/dbraw/zinc/22/26/77/212222677.db2.gz WAPITSJRPMRXTQ-UHFFFAOYSA-N 0 0 390.936 3.931 50 10 GHCARN COc1cc(N2CCCC2)ccc1/C=C1/NC(=O)N(Cc2cccc(C)c2)C1=O ZINC000000639584 212168444 /nfs/dbraw/zinc/16/84/44/212168444.db2.gz VDPCYFBABDIXJR-DEDYPNTBSA-N 0 0 391.471 3.697 50 10 GHCARN CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(C[NH+](C)C)c1[O-] ZINC000000870798 212143284 /nfs/dbraw/zinc/14/32/84/212143284.db2.gz LYWBOWIANIJKKW-UHFFFAOYSA-N 0 0 391.471 3.985 50 10 GHCARN COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c1C ZINC000005477930 220873847 /nfs/dbraw/zinc/87/38/47/220873847.db2.gz JHADVHIWNKIZMQ-HWCWCTJWSA-N 0 0 393.472 3.742 50 10 GHCARN CCOc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1O ZINC000008959008 221065567 /nfs/dbraw/zinc/06/55/67/221065567.db2.gz XLNBBNFEDUQVQV-QBILMKHKSA-N 0 0 398.488 3.990 50 10 GHCARN COc1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1 ZINC000011562556 221117352 /nfs/dbraw/zinc/11/73/52/221117352.db2.gz ISOHVSVVNKPYHV-OAQYLSRUSA-N 0 0 383.492 3.974 50 10 GHCARN COC(=O)c1[nH]c2ccccc2c1/C=C1/SC(=S)N(Cc2ccco2)C1=O ZINC000013693152 221281969 /nfs/dbraw/zinc/28/19/69/221281969.db2.gz DBSIDOHDYRIESF-OQLLNIDSSA-N 0 0 398.465 3.949 50 10 GHCARN CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccnc3)C2=O)cc1 ZINC000016770024 221371418 /nfs/dbraw/zinc/37/14/18/221371418.db2.gz IZBZZMZLSUFGPU-ATVHPVEESA-N 0 0 397.525 3.874 50 10 GHCARN CCCCOc1ccc(C(=O)NC2=N[C@@H](c3ccc(Cl)cc3)CC(=O)N2)cc1 ZINC000020924511 221519927 /nfs/dbraw/zinc/51/99/27/221519927.db2.gz INVCBSAVDGLKNX-GOSISDBHSA-N 0 0 399.878 3.866 50 10 GHCARN COC(=O)C1=CN(c2ccc(C)c(Cl)c2)c2ccc(F)cc2S1(=O)=O ZINC000064979254 136158414 /nfs/dbraw/zinc/15/84/14/136158414.db2.gz KLRLHHKYNASWEG-UHFFFAOYSA-N 0 0 381.812 3.727 50 10 GHCARN CCOC(=O)C1=CN(c2ccc(CC)cc2)c2cc(F)ccc2S1(=O)=O ZINC000067340726 136164596 /nfs/dbraw/zinc/16/45/96/136164596.db2.gz RLBABCKTYYFGBK-UHFFFAOYSA-N 0 0 375.421 3.718 50 10 GHCARN COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)c2C)cc1 ZINC000034716310 221802749 /nfs/dbraw/zinc/80/27/49/221802749.db2.gz GYPUFIATGBWBLK-LVKBRKGQSA-N 0 0 393.472 3.742 50 10 GHCARN COc1cc2c(cc1OC)C(=O)N[C@H](c1ccc(N3CCCCCC3)cc1)N2 ZINC000069098353 222173194 /nfs/dbraw/zinc/17/31/94/222173194.db2.gz UGYWRSPAIVCYNB-OAQYLSRUSA-N 0 0 381.476 3.938 50 10 GHCARN CN1CCCc2cc(/C=C/C(=O)NC(C)(C)c3noc(C(C)(C)C)n3)ccc21 ZINC000061199246 536394885 /nfs/dbraw/zinc/39/48/85/536394885.db2.gz GZUOVRAAFXCYNS-ZRDIBKRKSA-N 0 0 382.508 3.814 50 10 GHCARN COc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1O ZINC000004011437 570354209 /nfs/dbraw/zinc/35/42/09/570354209.db2.gz NPJIBUAAPPAVSB-DHDCSXOGSA-N 0 0 388.426 3.715 50 10 GHCARN CC1=NN2C(=NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=N)S1 ZINC000005025810 570399589 /nfs/dbraw/zinc/39/95/89/570399589.db2.gz JAWBOZZNWIUXEO-LCBVWSOUSA-N 0 0 395.400 3.802 50 10 GHCARN Cc1ccnc(SCC(=O)NCc2c(C)c(Cl)cc(C(C)C)c2O)n1 ZINC000004841314 570410659 /nfs/dbraw/zinc/41/06/59/570410659.db2.gz AXAMABUIBPTHJE-UHFFFAOYSA-N 0 0 379.913 3.984 50 10 GHCARN Cc1csc(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 ZINC000006510321 570462390 /nfs/dbraw/zinc/46/23/90/570462390.db2.gz SLECUPIIKBUAOA-UHFFFAOYSA-N 0 0 394.477 3.958 50 10 GHCARN Cc1cc(C(=O)Nc2ccc(CN3CCOC3=O)cc2)c(C)n1-c1ccccn1 ZINC000130944705 570465132 /nfs/dbraw/zinc/46/51/32/570465132.db2.gz MKZJZLPIMVZQID-UHFFFAOYSA-N 0 0 390.443 3.694 50 10 GHCARN Cc1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000005226292 570517599 /nfs/dbraw/zinc/51/75/99/570517599.db2.gz UQWLIUSWLRFQPU-UHFFFAOYSA-N 0 0 379.416 3.664 50 10 GHCARN CC1CCN(c2cc(NCCO)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000006737955 570562040 /nfs/dbraw/zinc/56/20/40/570562040.db2.gz KWIKCKKBZDUXCC-UHFFFAOYSA-N 0 0 377.444 3.680 50 10 GHCARN Cc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1C ZINC000006747957 570566794 /nfs/dbraw/zinc/56/67/94/570566794.db2.gz HQFITYQUKZILGB-HSZRJFAPSA-N 0 0 396.531 3.956 50 10 GHCARN O=C(NCCCSc1nccs1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000072312766 570649021 /nfs/dbraw/zinc/64/90/21/570649021.db2.gz QNELNVVHOZXRJW-UHFFFAOYSA-N 0 0 385.518 3.718 50 10 GHCARN C[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000004474204 570798409 /nfs/dbraw/zinc/79/84/09/570798409.db2.gz RAWDRXZQNMAABG-AWEZNQCLSA-N 0 0 391.448 3.502 50 10 GHCARN COc1ccc(-n2nnnc2C=CNc2ccccc2C(=O)c2ccccc2)cc1 ZINC000103895550 570889840 /nfs/dbraw/zinc/88/98/40/570889840.db2.gz GWOHEBLWGBICRF-FOCLMDBBSA-N 0 0 397.438 3.985 50 10 GHCARN COc1ccc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)N(C(C)C)C2=O)cc1 ZINC000033286963 570954774 /nfs/dbraw/zinc/95/47/74/570954774.db2.gz PDMDCKLRVNYINB-HKWRFOASSA-N 0 0 392.455 3.521 50 10 GHCARN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000084403178 571016556 /nfs/dbraw/zinc/01/65/56/571016556.db2.gz LOXJGYNVUTVIQP-UHFFFAOYSA-N 0 0 379.460 3.564 50 10 GHCARN Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccccc3[N+](=O)[O-])NC(=O)CCN21 ZINC000002362828 856688791 /nfs/dbraw/zinc/68/87/91/856688791.db2.gz DBZURUNILWFRFW-RSNBEDGSSA-N 0 0 377.444 3.930 50 10 GHCARN CC[C@@H](C)N1C(=O)C(=Cc2c(C)[nH]c3ccc([N+](=O)[O-])cc32)C(=O)NC1=S ZINC000038166677 910898474 /nfs/dbraw/zinc/89/84/74/910898474.db2.gz IBDSBOTUXHCPGR-ZJTXEKFPSA-N 0 0 386.433 3.650 50 10 GHCARN Cc1c2cc(F)ccc2n(C)c1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000426503419 231230868 /nfs/dbraw/zinc/23/08/68/231230868.db2.gz FELAQGJNZUIOBT-UHFFFAOYSA-N 0 0 378.407 3.547 50 10 GHCARN Cn1cc(C=C2C(=O)NC(=S)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000001314984 212235331 /nfs/dbraw/zinc/23/53/31/212235331.db2.gz DWEUBGCBRXWEDI-YVLHZVERSA-N 0 0 393.443 3.556 50 10 GHCARN O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(O)cc1 ZINC000001262382 212232179 /nfs/dbraw/zinc/23/21/79/212232179.db2.gz UIGOTKLRKODFTP-RVDMUPIBSA-N 0 0 388.470 3.605 50 10 GHCARN COc1ccc(NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 ZINC000001255852 212232232 /nfs/dbraw/zinc/23/22/32/212232232.db2.gz VLRIJDBCKNRQRX-ZROIWOOFSA-N 0 0 390.511 3.597 50 10 GHCARN CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 ZINC000001189685 212227149 /nfs/dbraw/zinc/22/71/49/212227149.db2.gz VETSEJOOKXRQPJ-GOSISDBHSA-N 0 0 384.867 3.673 50 10 GHCARN O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S ZINC000001187379 212226640 /nfs/dbraw/zinc/22/66/40/212226640.db2.gz SIJOHVMDBPEZQP-BOPFTXTBSA-N 0 0 393.493 3.643 50 10 aggregator GHCARN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccccc1F ZINC000001150050 212223553 /nfs/dbraw/zinc/22/35/53/212223553.db2.gz RCDPOLBPBYBLSP-WJDWOHSUSA-N 0 0 397.402 3.720 50 10 GHCARN CCOC(=O)[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(Cl)cc3)S2)C1 ZINC000001068616 212211959 /nfs/dbraw/zinc/21/19/59/212211959.db2.gz LLFQUIJEQNOOTM-OJNRTJSBSA-N 0 0 378.881 3.585 50 10 GHCARN CC(C)CCN1C(=O)/C(=C\N2CCN(c3ccccc3)CC2)SC1=S ZINC000009421965 212196038 /nfs/dbraw/zinc/19/60/38/212196038.db2.gz OAAMMSMEJYIZAM-SAPNQHFASA-N 0 0 375.563 3.556 50 10 GHCARN Cc1cccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(N(C)C)cc2)c1C ZINC000000641350 212168593 /nfs/dbraw/zinc/16/85/93/212168593.db2.gz ARXUYRBPDVWNPL-HXUWFJFHSA-N 0 0 394.544 3.801 50 10 GHCARN COc1ccc(CC(=O)c2ccc([O-])c(C[NH+]3CCC(C)CC3)c2O)cc1OC ZINC000023135346 212154384 /nfs/dbraw/zinc/15/43/84/212154384.db2.gz KLQYUQMDIHPNTI-UHFFFAOYSA-N 0 0 399.487 3.772 50 10 biogenic GHCARN CN(C)c1ccc(/C=C\C2=[N+](C)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)cc1 ZINC000004774825 212079830 /nfs/dbraw/zinc/07/98/30/212079830.db2.gz OCINYYMJADUXGT-UHFFFAOYSA-O 0 0 385.509 3.719 50 10 GHCARN CC1=C(C(=O)O[C@@H]2CC[C@H](C)[C@@H](C)C2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 ZINC000004043520 220673480 /nfs/dbraw/zinc/67/34/80/220673480.db2.gz PGIBQQKMAPFGKC-UQFOYQTNSA-N 0 0 385.508 3.748 50 10 GHCARN Cc1cc(C(=O)N2CCN(c3ccc(OCc4ccccc4)cc3)CC2)no1 ZINC000005587792 220885171 /nfs/dbraw/zinc/88/51/71/220885171.db2.gz OORZMMRTKQFBQV-UHFFFAOYSA-N 0 0 377.444 3.524 50 10 GHCARN COc1cc(C=C2SC(Nc3cccc(C)c3)=NC2=O)cc2c1OCCO2 ZINC000007163911 220988316 /nfs/dbraw/zinc/98/83/16/220988316.db2.gz LCZJDMBJQOQYRK-BOPFTXTBSA-N 0 0 382.441 3.857 50 10 GHCARN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cnc3ccccc3n2)cc1 ZINC000008341184 221038167 /nfs/dbraw/zinc/03/81/67/221038167.db2.gz OILBZYAURIUXKM-IBGZPJMESA-N 0 0 390.487 3.517 50 10 GHCARN COc1ccc(/C=C2/SC(N3CCN(c4cccc(C)c4)CC3)=NC2=O)cc1 ZINC000012378265 221186264 /nfs/dbraw/zinc/18/62/64/221186264.db2.gz QQQMYLIPGLLFAO-HMMYKYKNSA-N 0 0 393.512 3.796 50 10 GHCARN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1C(C)C ZINC000013116681 221261379 /nfs/dbraw/zinc/26/13/79/221261379.db2.gz ARGLRXKUMZJZEZ-YBFXNURJSA-N 0 0 394.475 3.526 50 10 GHCARN Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(O)cc3)C2=O)cc1 ZINC000013603312 221277387 /nfs/dbraw/zinc/27/73/87/221277387.db2.gz VJHBEVIMNGUWCZ-YBEGLDIGSA-N 0 0 384.482 3.541 50 10 GHCARN CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCCCCC2)cc1 ZINC000013809912 221291058 /nfs/dbraw/zinc/29/10/58/221291058.db2.gz NMOSKSWYOZEEAR-PYCFMQQDSA-N 0 0 391.515 3.926 50 10 GHCARN CN(C1=NC(=O)/C(=C2\c3ccccc3N(C)C2=O)S1)c1ccc(Cl)cc1 ZINC000015016800 221326916 /nfs/dbraw/zinc/32/69/16/221326916.db2.gz UJJUOAUCUAMGGF-NXVVXOECSA-N 0 0 383.860 3.793 50 10 GHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000016134682 221357561 /nfs/dbraw/zinc/35/75/61/221357561.db2.gz HQPKNWMLQCTBTQ-UHFFFAOYSA-N 0 0 394.393 3.694 50 10 GHCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(-n2ccnc2)ccn1 ZINC000095458613 136179233 /nfs/dbraw/zinc/17/92/33/136179233.db2.gz RLJLIMXPBLYMDJ-UHFFFAOYSA-N 0 0 375.476 3.530 50 10 GHCARN CCCN1C(=O)/C(=C\c2cc3ccccc3nc2N2CCOCC2)SC1=S ZINC000012946506 136200757 /nfs/dbraw/zinc/20/07/57/136200757.db2.gz SAYDRWORYZANCW-GHRIWEEISA-N 0 0 399.541 3.683 50 10 GHCARN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1 ZINC000022994921 136204608 /nfs/dbraw/zinc/20/46/08/136204608.db2.gz JSGBXGNNZNFUKX-UHFFFAOYSA-N 0 0 376.460 3.578 50 10 GHCARN C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(N2CCOCC2)cc1 ZINC000065277701 222120943 /nfs/dbraw/zinc/12/09/43/222120943.db2.gz XBEJJXFQHDCSHB-QGZVFWFLSA-N 0 0 396.512 3.716 50 10 GHCARN Cc1nc(-c2cccc(NS(=O)(=O)c3cc(F)cc(F)c3[O-])c2)oc1C ZINC000328596089 452922307 /nfs/dbraw/zinc/92/23/07/452922307.db2.gz RXRRJGYCOLABRF-UHFFFAOYSA-N 0 0 380.372 3.743 50 10 GHCARN O=C(C1=CN(c2ccccc2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1 ZINC000049003892 570261737 /nfs/dbraw/zinc/26/17/37/570261737.db2.gz DDCYHTXCORWUNJ-UHFFFAOYSA-N 0 0 386.448 3.605 50 10 GHCARN CSC1=NSC2=NC(=O)/C(=C\c3cccn3-c3ccc(C)cc3)C(=N)N12 ZINC000004909226 570362056 /nfs/dbraw/zinc/36/20/56/570362056.db2.gz AULALQVCKMFQDD-WOSMYTDYSA-N 0 0 381.486 3.725 50 10 GHCARN CCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(OC)cc3)C2=N)S1 ZINC000004909029 570362154 /nfs/dbraw/zinc/36/21/54/570362154.db2.gz CHKUWOUSMVAKKO-NMQBUZRESA-N 0 0 379.445 3.515 50 10 GHCARN CN1C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N(C)C1=O ZINC000004545295 570383495 /nfs/dbraw/zinc/38/34/95/570383495.db2.gz ZXZQGXYTPWMFDG-UHFFFAOYSA-N 0 0 392.889 3.987 50 10 GHCARN Cc1cc(/C=C2\SC(=N)NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000004706802 570396286 /nfs/dbraw/zinc/39/62/86/570396286.db2.gz RCMSWEPEXRUTTJ-ZSOIEALJSA-N 0 0 376.279 3.995 50 10 GHCARN COc1ccc(-c2nn(CN(C)Cc3ccc(N(C)C)cc3)c(=S)[nH]2)cc1 ZINC000024980451 570400918 /nfs/dbraw/zinc/40/09/18/570400918.db2.gz OADLYWZWPHYGQR-UHFFFAOYSA-N 0 0 383.521 3.772 50 10 GHCARN CCCN1C(=O)/C(=C/C=C2\Sc3ccccc3N2CCO)SC1=S ZINC000033295164 570404918 /nfs/dbraw/zinc/40/49/18/570404918.db2.gz KMUWDJKTOHKZTA-UOUVAZQYSA-N 0 0 378.544 3.587 50 10 GHCARN CN(C)c1ccc([C@H](CNC(=O)c2ccco2)N2CCc3ccccc3C2)cc1 ZINC000005098792 570416222 /nfs/dbraw/zinc/41/62/22/570416222.db2.gz SDIOKOJNPJJPAF-QFIPXVFZSA-N 0 0 389.499 3.875 50 10 GHCARN O=C1C=CC(=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc21 ZINC000005739715 570454587 /nfs/dbraw/zinc/45/45/87/570454587.db2.gz AJBGZTIMGNQWQB-QURGRASLSA-N 0 0 397.456 3.982 50 10 GHCARN CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)NC1=S ZINC000005879178 570460218 /nfs/dbraw/zinc/46/02/18/570460218.db2.gz LWASNMNDPOZEPH-JXMROGBWSA-N 0 0 381.240 3.510 50 10 GHCARN N=C1/C(=C/c2cccn2-c2cc([N+](=O)[O-])ccc2Cl)C(=O)N=C2SC=CN21 ZINC000032964305 570548636 /nfs/dbraw/zinc/54/86/36/570548636.db2.gz NLBARPDZYKZFOV-RFCLUPQTSA-N 0 0 399.819 3.816 50 10 GHCARN COc1ccc(-c2cc(=O)oc3c2ccc([O-])c3C[NH2+]Cc2ccncc2)cc1 ZINC000005427331 570590180 /nfs/dbraw/zinc/59/01/80/570590180.db2.gz RFKAAMFTDKQZOS-UHFFFAOYSA-N 0 0 388.423 3.859 50 10 GHCARN CN(C)c1ccc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc1 ZINC000004608176 570662516 /nfs/dbraw/zinc/66/25/16/570662516.db2.gz BGWBJAAVLBMVJC-PSPCYXPKSA-N 0 0 381.505 3.952 50 10 GHCARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccc(N4CCCC4)cc3)c12 ZINC000036616228 570751964 /nfs/dbraw/zinc/75/19/64/570751964.db2.gz FVHFCTXCNTVJTC-UHFFFAOYSA-N 0 0 389.503 3.684 50 10 GHCARN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\NC(=S)NCc1ccccc1 ZINC000101346590 570821072 /nfs/dbraw/zinc/82/10/72/570821072.db2.gz RNBZTJRKRJNIFJ-ATVHPVEESA-N 0 0 384.892 3.611 50 10 GHCARN COc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2C)cc(OC)c1 ZINC000007423201 570840834 /nfs/dbraw/zinc/84/08/34/570840834.db2.gz PKMYBNCMNDWEJR-UHFFFAOYSA-N 0 0 383.473 3.835 50 10 GHCARN CN(C)c1ccc(CNC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 ZINC000170622923 570880178 /nfs/dbraw/zinc/88/01/78/570880178.db2.gz DNCFZZMZPIPXGA-UHFFFAOYSA-N 0 0 390.365 3.751 50 10 GHCARN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCCc1ccccc1 ZINC000100104854 570898819 /nfs/dbraw/zinc/89/88/19/570898819.db2.gz WHNZCPQPKWGOJS-CYVLTUHYSA-N 0 0 378.432 3.814 50 10 GHCARN Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(c1ccc3c(c1)OCCO3)CO2 ZINC000002118901 570953246 /nfs/dbraw/zinc/95/32/46/570953246.db2.gz CPZKUIWFVJVJGA-UHFFFAOYSA-N 0 0 391.423 3.718 50 10 biogenic GHCARN CCc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)OC)C3=O)c2C)cc1 ZINC000033349871 570994312 /nfs/dbraw/zinc/99/43/12/570994312.db2.gz ARJOWZMEGRFANY-WQRHYEAKSA-N 0 0 398.484 3.866 50 10 GHCARN Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccccc2n1 ZINC000084083345 570996540 /nfs/dbraw/zinc/99/65/40/570996540.db2.gz DIAZJXQJDFLBOA-UHFFFAOYSA-N 0 0 393.462 3.573 50 10 GHCARN COc1ccc(CN2CC(=O)N(c3cccc(Cl)c3C)C2=S)cc1OC ZINC000003033725 862131007 /nfs/dbraw/zinc/13/10/07/862131007.db2.gz ATSJFTUEIOZLNZ-UHFFFAOYSA-N 0 0 390.892 3.799 50 10 GHCARN CC(C)c1ccc(NC=C2C(=O)NC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000002371211 856959117 /nfs/dbraw/zinc/95/91/17/856959117.db2.gz YBGFXCYMUUBDBM-PDGQHHTCSA-N 0 0 379.485 3.549 50 10 GHCARN Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1-c1ccccn1 ZINC000009945489 857380618 /nfs/dbraw/zinc/38/06/18/857380618.db2.gz UMGTUUMEMPULSB-UHFFFAOYSA-N 0 0 381.505 3.782 50 10 GHCARN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)NC(C)(C)C)C2=O)c1 ZINC000001476493 212247928 /nfs/dbraw/zinc/24/79/28/212247928.db2.gz YFEMPZIAKOOUBM-QINSGFPZSA-N 0 0 392.546 3.591 50 10 GHCARN COc1cccc(NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)c1 ZINC000001266479 212233849 /nfs/dbraw/zinc/23/38/49/212233849.db2.gz JTKCTCRTOBRQEE-ZROIWOOFSA-N 0 0 390.511 3.597 50 10 GHCARN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000001095372 212216663 /nfs/dbraw/zinc/21/66/63/212216663.db2.gz WXVFDWDPPUVYRT-UHFFFAOYSA-N 0 0 395.528 3.618 50 10 GHCARN CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2S(C)(=O)=O)cc1 ZINC000001018764 212205558 /nfs/dbraw/zinc/20/55/58/212205558.db2.gz HSDUPHXZRSDVJG-GOSISDBHSA-N 0 0 377.897 3.517 50 10 GHCARN COc1ccc(-c2cnc(SCC(=O)Nc3ccccc3OC)n2C)cc1 ZINC000000881673 212192757 /nfs/dbraw/zinc/19/27/57/212192757.db2.gz KVFVDOWDRCZOGV-UHFFFAOYSA-N 0 0 383.473 3.835 50 10 GHCARN COc1ccc(N2CCN(Cc3cc(=O)oc4c(C)c(C)ccc34)CC2)cc1 ZINC000054105859 212131503 /nfs/dbraw/zinc/13/15/03/212131503.db2.gz BSXHXAPFWQXXOP-UHFFFAOYSA-N 0 0 378.472 3.741 50 10 GHCARN CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1 ZINC000002702144 220554116 /nfs/dbraw/zinc/55/41/16/220554116.db2.gz OLWSAEFWAJGVKK-YBEGLDIGSA-N 0 0 399.453 3.959 50 10 GHCARN CCCN1C(=O)C(=Cc2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)NC1=S ZINC000003667617 220665704 /nfs/dbraw/zinc/66/57/04/220665704.db2.gz QIOOYAYYEKTHQI-BOPFTXTBSA-N 0 0 384.461 3.881 50 10 GHCARN COc1ccc2c3ccc(OCC(=O)N4CCC[C@@H](C)C4)cc3oc(=O)c2c1 ZINC000004196973 220692864 /nfs/dbraw/zinc/69/28/64/220692864.db2.gz PZXITPODVAZOPN-CQSZACIVSA-N 0 0 381.428 3.592 50 10 GHCARN COc1ccc2c3ccc(OCC(=O)N4CCC(C)CC4)cc3oc(=O)c2c1 ZINC000004197351 220693035 /nfs/dbraw/zinc/69/30/35/220693035.db2.gz LMNTXJXHDJBQAI-UHFFFAOYSA-N 0 0 381.428 3.592 50 10 GHCARN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cccs1 ZINC000004703006 220751334 /nfs/dbraw/zinc/75/13/34/220751334.db2.gz PUURBTDLVXVWDZ-AQTBWJFISA-N 0 0 383.469 3.672 50 10 GHCARN Cc1ccc(N2C(=O)/C(=C\c3ccccc3OCC(N)=O)SC2=S)cc1C ZINC000009232338 221075214 /nfs/dbraw/zinc/07/52/14/221075214.db2.gz HABQPPBQKYJWKV-LICLKQGHSA-N 0 0 398.509 3.573 50 10 GHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000010906432 221108004 /nfs/dbraw/zinc/10/80/04/221108004.db2.gz ZDGJPNFGIBRWFI-UHFFFAOYSA-N 0 0 384.907 3.867 50 10 GHCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCNC(=O)c1ccsc1 ZINC000012564661 221208029 /nfs/dbraw/zinc/20/80/29/221208029.db2.gz CXXIMQLJDSUEFK-UHFFFAOYSA-N 0 0 399.560 3.907 50 10 GHCARN Cn1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc21 ZINC000013496541 221270135 /nfs/dbraw/zinc/27/01/35/221270135.db2.gz ZMPADSUMTCEDHR-BOPFTXTBSA-N 0 0 393.493 3.725 50 10 aggregator GHCARN O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C/c1ccc(O)cc1 ZINC000013534459 221271446 /nfs/dbraw/zinc/27/14/46/221271446.db2.gz QGDATRCKKBGLBA-LDADJPATSA-N 0 0 399.903 3.838 50 10 GHCARN Cc1ccc(C(=O)CN2C(=O)SC(=Cc3ccc(N(C)C)cc3)C2=O)cc1 ZINC000017185974 221381123 /nfs/dbraw/zinc/38/11/23/221381123.db2.gz XSFQJXIPJRXINO-XDHOZWIPSA-N 0 0 380.469 3.980 50 10 GHCARN C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCCc2cc(OC(F)F)ccc21 ZINC000089553113 136175710 /nfs/dbraw/zinc/17/57/10/136175710.db2.gz QSLDDXPMLMXCPQ-LBPRGKRZSA-N 0 0 390.386 3.797 50 10 GHCARN CC(C)CCN1C(=O)/C(=C/N2CCN(c3ccccc3)CC2)SC1=S ZINC000030819351 221703790 /nfs/dbraw/zinc/70/37/90/221703790.db2.gz OAAMMSMEJYIZAM-VKAVYKQESA-N 0 0 375.563 3.556 50 10 GHCARN CN(C)c1ccc(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)cc1 ZINC000064581049 222075238 /nfs/dbraw/zinc/07/52/38/222075238.db2.gz AWHFXRBBFQEMSS-UHFFFAOYSA-N 0 0 399.292 3.631 50 10 GHCARN CC(=O)N1CCC2(CC1)N=C(c1ccccc1)C[C@@H](c1cc(Cl)ccc1O)N2 ZINC000065297966 222122342 /nfs/dbraw/zinc/12/23/42/222122342.db2.gz UIQJWTUJGGLAJE-FQEVSTJZSA-N 0 0 397.906 3.908 50 10 biogenic GHCARN CCOc1ccc2oc(=O)cc(CN3CCN(c4ccc(OC)cc4)CC3)c2c1 ZINC000058090650 535445060 /nfs/dbraw/zinc/44/50/60/535445060.db2.gz MQKJNPFFOOMQSA-UHFFFAOYSA-N 0 0 394.471 3.523 50 10 GHCARN Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1cccnc1 ZINC000033548024 570409869 /nfs/dbraw/zinc/40/98/69/570409869.db2.gz ZWRUCUGVVRYPIM-JAIQZWGSSA-N 0 0 390.418 3.721 50 10 GHCARN Cc1ccc2c(c1)S(=O)(=O)c1ccc3c(c1N2)C(=O)c1ccccc1C3=O ZINC000005119050 570420134 /nfs/dbraw/zinc/42/01/34/570420134.db2.gz XWMMDJNIBQXRKN-UHFFFAOYSA-N 0 0 375.405 3.660 50 10 GHCARN COc1ccc(C2=C/C(=C\c3cc(OC)c(OC)c(OC)c3)C(=O)O2)c(OC)c1 ZINC000006625332 570509378 /nfs/dbraw/zinc/50/93/78/570509378.db2.gz UGLKAPBCDDNBRO-RIYZIHGNSA-N 0 0 398.411 3.711 50 10 GHCARN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000001163695 570759715 /nfs/dbraw/zinc/75/97/15/570759715.db2.gz YCZMCCCNNKSKDD-PDGQHHTCSA-N 0 0 378.384 3.780 50 10 GHCARN CCOc1ccc(/C=C2\SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1OCC ZINC000001164473 570759735 /nfs/dbraw/zinc/75/97/35/570759735.db2.gz QBFFZLBCKAKVKX-VTLGWQBRSA-N 0 0 390.505 3.564 50 10 GHCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C\c4cccc([N+](=O)[O-])c4)C3=N)S2)cc1 ZINC000001177774 570790489 /nfs/dbraw/zinc/79/04/89/570790489.db2.gz LAFIRTMHSLDZNG-YERBQUFUSA-N 0 0 391.412 3.571 50 10 GHCARN CCCC[C@@]1(C)NC(=O)N(CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1=O ZINC000003263967 570845050 /nfs/dbraw/zinc/84/50/50/570845050.db2.gz DEBCVGZOAATFKW-JOCHJYFZSA-N 0 0 381.476 3.778 50 10 GHCARN CCN(Cc1cc(Br)ccc1O)c1ncncc1Br ZINC000089969250 570922618 /nfs/dbraw/zinc/92/26/18/570922618.db2.gz RRZVEYFJHDQSEF-UHFFFAOYSA-N 0 0 387.075 3.734 50 10 GHCARN O=C(CN1C(=O)/C(=C\c2ccccc2F)SC1=S)OC1CCCCC1 ZINC000001239053 570947757 /nfs/dbraw/zinc/94/77/57/570947757.db2.gz SFRLMFYKHUPWDP-XNTDXEJSSA-N 0 0 379.478 3.903 50 10 GHCARN COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S ZINC000001276935 570952258 /nfs/dbraw/zinc/95/22/58/570952258.db2.gz NTSVWXCYASQJKB-KLDHPSGWSA-N 0 0 376.286 3.756 50 10 GHCARN COc1ccc(-n2c(C)cc(C(=O)N(C)[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)c2C)cc1 ZINC000252515325 570983127 /nfs/dbraw/zinc/98/31/27/570983127.db2.gz ISUYDTONBIAMGW-CEWLAPEOSA-N 0 0 382.504 3.988 50 10 GHCARN COc1ccc(OC)c(-c2c3cc(O)c([O-])cc3oc3cc(=O)c(O)cc2-3)c1 ZINC000004891842 842902095 /nfs/dbraw/zinc/90/20/95/842902095.db2.gz BPHDPFDYLPFBTP-UHFFFAOYSA-N 0 0 380.352 3.699 50 10 GHCARN Cc1cc(C(=O)Nc2ccc(N(C)C)cn2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000095385789 860561816 /nfs/dbraw/zinc/56/18/16/860561816.db2.gz LFPIPDXYMALPAP-UHFFFAOYSA-N 0 0 392.459 3.579 50 10 GHCARN COc1ccc2c3c(n(-c4cccnc4)c(=O)c2c1OC)-c1ccccc1C3=O ZINC000824764571 864136907 /nfs/dbraw/zinc/13/69/07/864136907.db2.gz IFCGNFOBWMUSEO-UHFFFAOYSA-N 0 0 384.391 3.614 50 10 GHCARN CC(C)OC(=O)CCCCCN1C(=O)/C(=C\c2ccccn2)SC1=S ZINC000005656851 902934568 /nfs/dbraw/zinc/93/45/68/902934568.db2.gz KPFDMBDFVHMNDI-NTCAYCPXSA-N 0 0 378.519 3.795 50 10 GHCARN CCOc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCCc1ccccc1 ZINC000001134742 918455934 /nfs/dbraw/zinc/45/59/34/918455934.db2.gz PVNXVKXWCOOUQO-UHFFFAOYSA-N 0 0 396.439 3.926 50 10 GHCARN O=C(NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)c1ccccc1 ZINC000001221216 212230425 /nfs/dbraw/zinc/23/04/25/212230425.db2.gz YXFHMCBOGNKSAG-YBEGLDIGSA-N 0 0 379.466 3.714 50 10 GHCARN C/C(=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCCC1 ZINC000001199777 212228242 /nfs/dbraw/zinc/22/82/42/212228242.db2.gz LTCCDHVESPODMN-RAXLEYEMSA-N 0 0 380.395 3.931 50 10 GHCARN O=C(N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)C(F)(F)F ZINC000001027648 212206721 /nfs/dbraw/zinc/20/67/21/212206721.db2.gz SPMFYCOOXXYYMO-YVMONPNESA-N 0 0 396.209 3.739 50 10 GHCARN O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2nc3ccccc3s2)o1 ZINC000000818829 212185845 /nfs/dbraw/zinc/18/58/45/212185845.db2.gz SSGHXTSRAWMUBC-WJDWOHSUSA-N 0 0 397.481 3.859 50 10 GHCARN COc1ccc(N2CCN(Cc3cc(=O)oc4cc5c(cc34)CCC5)CC2)cc1 ZINC000054105923 212131744 /nfs/dbraw/zinc/13/17/44/212131744.db2.gz DXHZVHPPJPNPKY-UHFFFAOYSA-N 0 0 390.483 3.613 50 10 GHCARN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N1CCCCC1 ZINC000002287817 220516826 /nfs/dbraw/zinc/51/68/26/220516826.db2.gz MDXBHZHVOMUWCA-NTCAYCPXSA-N 0 0 394.949 3.944 50 10 GHCARN COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)c4ccccc4C3=O)c2C)cc1 ZINC000004503884 220723393 /nfs/dbraw/zinc/72/33/93/220723393.db2.gz MZMWOADTLNTSQN-UHFFFAOYSA-N 0 0 388.423 3.582 50 10 GHCARN Cc1ncc(-c2ccc(C)c(S(=O)(=O)NCc3ccc(N(C)C)cc3)c2)o1 ZINC000009833144 221092732 /nfs/dbraw/zinc/09/27/32/221092732.db2.gz YGBNJEPZDLAJCB-UHFFFAOYSA-N 0 0 385.489 3.503 50 10 GHCARN CCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC(C)C)C2=O)cc1 ZINC000012635798 221217314 /nfs/dbraw/zinc/21/73/14/221217314.db2.gz TXDGETRFSPIJPK-GDNBJRDFSA-N 0 0 379.503 3.628 50 10 GHCARN CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)cc1 ZINC000012757645 221227394 /nfs/dbraw/zinc/22/73/94/221227394.db2.gz ZHSBRVKFPTUJLO-VKAVYKQESA-N 0 0 390.574 3.518 50 10 GHCARN O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N1CCCCC1 ZINC000013801680 221289863 /nfs/dbraw/zinc/28/98/63/221289863.db2.gz MDXBHZHVOMUWCA-QINSGFPZSA-N 0 0 394.949 3.944 50 10 GHCARN Cc1occc1C(=O)NN1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S ZINC000013690142 221281746 /nfs/dbraw/zinc/28/17/46/221281746.db2.gz JUNYQJPFRLCLAH-YBEGLDIGSA-N 0 0 395.465 3.682 50 10 GHCARN CN(C)c1ccc(/C=C2/C(=O)N(c3ccc4c(c3)CCC4)C(=S)N2C)cc1 ZINC000022636753 221566732 /nfs/dbraw/zinc/56/67/32/221566732.db2.gz IGOQOEGCEZNIHE-MOSHPQCFSA-N 0 0 377.513 3.846 50 10 GHCARN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1cccc(C(N)=O)c1 ZINC000029030125 221686615 /nfs/dbraw/zinc/68/66/15/221686615.db2.gz BBRWSYDBDBOSAI-UHFFFAOYSA-N 0 0 395.484 3.732 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3cnc(-c4cccs4)nc3)[C@H](C)C2)cc1 ZINC000072423013 536688831 /nfs/dbraw/zinc/68/88/31/536688831.db2.gz SNGKDMUUTWNFSM-OAHLLOKOSA-N 0 0 394.500 3.565 50 10 GHCARN CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N(C)C1=S ZINC000001180511 570255107 /nfs/dbraw/zinc/25/51/07/570255107.db2.gz JQLJJXUFHNRFMD-UHFFFAOYSA-N 0 0 395.267 3.852 50 10 GHCARN CN1C(=O)/C(=C/c2ccc(Oc3nc(Cl)ncc3F)cc2)SC1=S ZINC000006145127 570277109 /nfs/dbraw/zinc/27/71/09/570277109.db2.gz QJQIFIJSCYWDDW-WDZFZDKYSA-N 0 0 381.841 3.892 50 10 GHCARN CCCOc1cc(N(CC)CC)ccc1/C=C1\C(=O)NN(c2ccccc2)C1=O ZINC000002771420 570300352 /nfs/dbraw/zinc/30/03/52/570300352.db2.gz WIPJEVNJTPDMLZ-HMMYKYKNSA-N 0 0 393.487 3.783 50 10 GHCARN COc1ccccc1/C=C1/SC(=S)N(CCC(=O)Nc2ccccc2)C1=O ZINC000023634853 570367619 /nfs/dbraw/zinc/36/76/19/570367619.db2.gz WCPYMVFSGUDCMV-GHRIWEEISA-N 0 0 398.509 3.925 50 10 GHCARN O=C(C1=NOC2(C(=O)c3ccccc3C2=O)[C@@H]1c1ccccc1)c1ccccc1 ZINC000004334795 570368970 /nfs/dbraw/zinc/36/89/70/570368970.db2.gz OIEOCNGMVWZUDX-LJQANCHMSA-N 0 0 381.387 3.857 50 10 GHCARN CCN1C(=O)/C(=C\c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)SC1=S ZINC000004652228 570389764 /nfs/dbraw/zinc/38/97/64/570389764.db2.gz YZUDZDTUPGJYFM-OQLLNIDSSA-N 0 0 390.442 3.988 50 10 GHCARN COc1ccc(-c2ccc(/C=C3\SC(=S)N(C)C3=O)o2)c([N+](=O)[O-])c1 ZINC000005025798 570399613 /nfs/dbraw/zinc/39/96/13/570399613.db2.gz JWRCRNHEYCKLGB-ZSOIEALJSA-N 0 0 376.415 3.694 50 10 GHCARN COc1ccc(-c2ccc(/C=C3\C(=O)N=C4SC=CN4C3=N)o2)c([N+](=O)[O-])c1 ZINC000005025825 570399643 /nfs/dbraw/zinc/39/96/43/570399643.db2.gz HFIYPABFBHCLBZ-STBHAXGISA-N 0 0 396.384 3.640 50 10 GHCARN Cc1cc(/C=C/C(=O)NCc2nnc3n2CCCCC3)c(C)n1-c1ccccc1 ZINC000025667638 570417911 /nfs/dbraw/zinc/41/79/11/570417911.db2.gz LNQPDAYEEZIDAF-OUKQBFOZSA-N 0 0 389.503 3.742 50 10 GHCARN Cc1ccc(C)n1-c1ccc(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000005198911 570500434 /nfs/dbraw/zinc/50/04/34/570500434.db2.gz QTNDGNUYSSMZMS-UHFFFAOYSA-N 0 0 387.439 3.767 50 10 GHCARN COC(=O)c1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 ZINC000006618183 570505723 /nfs/dbraw/zinc/50/57/23/570505723.db2.gz KBGPMARXCYWDPO-UHFFFAOYSA-N 0 0 375.837 3.734 50 10 GHCARN COCCCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)C(C(=O)OC)=C1C ZINC000002967756 570523594 /nfs/dbraw/zinc/52/35/94/570523594.db2.gz NQSBXZPEHWGTHT-LCYFTJDESA-N 0 0 384.259 3.703 50 10 GHCARN COc1ccc(CCN2C(=O)/C(=C\c3ccc(O)c(O)c3)SC2=S)cc1 ZINC000005345613 570560581 /nfs/dbraw/zinc/56/05/81/570560581.db2.gz MOKQHRDINZGAGS-GZTJUZNOSA-N 0 0 387.482 3.550 50 10 GHCARN COc1ccc(N2CCN(Cc3cc(C(=O)c4ccccc4)cn3C)CC2)cc1 ZINC000052534288 570672025 /nfs/dbraw/zinc/67/20/25/570672025.db2.gz ASCBYKLDPOIMNK-UHFFFAOYSA-N 0 0 389.499 3.587 50 10 GHCARN COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1ccccc1 ZINC000044085863 570862698 /nfs/dbraw/zinc/86/26/98/570862698.db2.gz HKQAXMJTMGSNRR-UHFFFAOYSA-N 0 0 397.500 3.936 50 10 GHCARN CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccccc2)cc1 ZINC000003641568 862538928 /nfs/dbraw/zinc/53/89/28/862538928.db2.gz URVITOMORJJOEE-OAQYLSRUSA-N 0 0 386.455 3.664 50 10 GHCARN O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(O)cc1 ZINC000002302514 855185371 /nfs/dbraw/zinc/18/53/71/855185371.db2.gz KKMKLEKTAPBYFP-UVTDQMKNSA-N 0 0 390.511 3.684 50 10 GHCARN O=S(=O)(c1ccccc1N1CC=C(c2cncc(F)c2)CC1)C(F)(F)F ZINC000095468680 860594330 /nfs/dbraw/zinc/59/43/30/860594330.db2.gz QPOAYFFVGONHSK-UHFFFAOYSA-N 0 0 386.370 3.808 50 10 GHCARN Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000022580390 861153908 /nfs/dbraw/zinc/15/39/08/861153908.db2.gz WPNXBWGPSIIXGM-UHFFFAOYSA-N 0 0 379.426 3.543 50 10 GHCARN O=C1Nc2cc(Cl)ccc2/C1=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000033531129 893556391 /nfs/dbraw/zinc/55/63/91/893556391.db2.gz ABBBBGOOGBZIJM-DHDCSXOGSA-N 0 0 385.807 3.578 50 10 GHCARN O=C1/C(=C\c2cc3ccccc3[nH]c2=O)SC(=S)N1Cc1ccccc1 ZINC000034169112 931811177 /nfs/dbraw/zinc/81/11/77/931811177.db2.gz CPQAHEHIMGNFIP-GZTJUZNOSA-N 0 0 378.478 3.930 50 10 GHCARN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1 ZINC000001202014 212228796 /nfs/dbraw/zinc/22/87/96/212228796.db2.gz VLEVQHHRRNMFAB-ATVHPVEESA-N 0 0 397.525 3.607 50 10 GHCARN COc1ccc(Br)cc1/C=C1/SC(N2CCCCC2)=NC1=O ZINC000001183713 212227158 /nfs/dbraw/zinc/22/71/58/212227158.db2.gz SBFNAHGUVGKSTQ-GXDHUFHOSA-N 0 0 381.295 3.914 50 10 GHCARN CN1C(=O)C(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)N(C)C1=S ZINC000001186546 212226899 /nfs/dbraw/zinc/22/68/99/212226899.db2.gz UVIUTBOWXSFVEB-UHFFFAOYSA-N 0 0 388.533 3.586 50 10 GHCARN COC(=O)CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000001191133 212227011 /nfs/dbraw/zinc/22/70/11/212227011.db2.gz USHXDVXZIUPLML-WDZFZDKYSA-N 0 0 376.286 3.758 50 10 GHCARN Cc1c(NCc2cc(Br)ccc2O)c(=O)n(-c2ccccc2)n1C ZINC000001175262 212226067 /nfs/dbraw/zinc/22/60/67/212226067.db2.gz SCWXUMKLFWHDSP-UHFFFAOYSA-N 0 0 388.265 3.565 50 10 GHCARN O=C(Cn1cc(C=C2SC(=S)NC2=O)c2ccccc21)Nc1ccccc1 ZINC000001105891 212217675 /nfs/dbraw/zinc/21/76/75/212217675.db2.gz XVQOCRVUSCUGAJ-LICLKQGHSA-N 0 0 393.493 3.769 50 10 GHCARN COc1cc(-c2c3cnn(C)c3nc3c4ccc(O)c(C)c4oc32)cc(O)c1O ZINC000253414928 212135523 /nfs/dbraw/zinc/13/55/23/212135523.db2.gz ZBYXIYNOLQBLLZ-UHFFFAOYSA-N 0 0 391.383 3.969 50 10 biogenic GHCARN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nccs3)C2=O)cc1 ZINC000001013807 220474200 /nfs/dbraw/zinc/47/42/00/220474200.db2.gz FPAJEVFMBQRJEY-JLHYYAGUSA-N 0 0 389.527 3.682 50 10 GHCARN COc1ccc(N(C)CN2C(=O)S/C(=C/c3cccc(OC)c3)C2=O)cc1 ZINC000004518365 220725322 /nfs/dbraw/zinc/72/53/22/220725322.db2.gz VFSYDXQNQUFOAQ-LDADJPATSA-N 0 0 384.457 3.834 50 10 GHCARN Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1cc(C)ccc1C ZINC000005218938 220846914 /nfs/dbraw/zinc/84/69/14/220846914.db2.gz UWJPKLCGZSCWRQ-NRKWFKHNSA-N 0 0 377.473 3.960 50 10 GHCARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000010907224 221108326 /nfs/dbraw/zinc/10/83/26/221108326.db2.gz PJISWGYYKLERID-MRXNPFEDSA-N 0 0 388.895 3.603 50 10 GHCARN O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1CCCCC1 ZINC000012032396 221144061 /nfs/dbraw/zinc/14/40/61/221144061.db2.gz HWVMNNCIPNQGEW-SDNWHVSQSA-N 0 0 380.560 3.788 50 10 GHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000012555726 221207192 /nfs/dbraw/zinc/20/71/92/221207192.db2.gz GDQLBXVUPSXLEB-UHFFFAOYSA-N 0 0 378.394 3.814 50 10 GHCARN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000012406669 221188651 /nfs/dbraw/zinc/18/86/51/221188651.db2.gz FBAYGSFZMKQHFB-YBEGLDIGSA-N 0 0 379.372 3.910 50 10 GHCARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 ZINC000012413420 221190018 /nfs/dbraw/zinc/19/00/18/221190018.db2.gz BODDTBHDZXKEHQ-ATVHPVEESA-N 0 0 379.412 3.668 50 10 GHCARN O=C1NC(=S)N(CCC2=CCCCC2)C(=O)C1=Cc1nc2ccccc2[nH]1 ZINC000013774148 221288174 /nfs/dbraw/zinc/28/81/74/221288174.db2.gz ISHBKOHSXYEZGJ-OWBHPGMISA-N 0 0 380.473 3.920 50 10 GHCARN CC1=CSC2=NC(=O)/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C(=N)N12 ZINC000049652927 222001374 /nfs/dbraw/zinc/00/13/74/222001374.db2.gz YMFSOIRQDWDBTJ-QBIJJOOHSA-N 0 0 379.401 3.552 50 10 GHCARN O=C(NCc1ccccc1O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000058158280 222040731 /nfs/dbraw/zinc/04/07/31/222040731.db2.gz WYSHSWXUCRTFPC-UHFFFAOYSA-N 0 0 388.467 3.714 50 10 GHCARN Cc1ccc(-c2nn(C)cc2CCC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000064861168 222084741 /nfs/dbraw/zinc/08/47/41/222084741.db2.gz QEDBOOBVPRBVBP-UHFFFAOYSA-N 0 0 376.504 3.711 50 10 GHCARN C[C@H](NC(=O)c1coc(COc2cccc3cccnc32)n1)c1ccccc1O ZINC000067804822 222160893 /nfs/dbraw/zinc/16/08/93/222160893.db2.gz VAVFRVUIKMUWCD-AWEZNQCLSA-N 0 0 389.411 3.998 50 10 GHCARN Nc1c(Br)cc(Br)c2c1C(=O)c1ccccc1C2=O ZINC000003873982 560191107 /nfs/dbraw/zinc/19/11/07/560191107.db2.gz ZINRVIQBCHAZMM-UHFFFAOYSA-N 0 0 381.023 3.569 50 10 in-vitro GHCARN CSc1ccc(/C=C2\C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)cc1 ZINC000020356725 570252925 /nfs/dbraw/zinc/25/29/25/570252925.db2.gz XITGZZISMSTPNH-UMWCEBECSA-N 0 0 399.545 3.717 50 10 GHCARN COc1ccc(N2CCN(CC(=O)c3c[nH]c4ccc(OC)cc34)C[C@@H]2C)cc1 ZINC000035369238 570344330 /nfs/dbraw/zinc/34/43/30/570344330.db2.gz YCSNFBNKAMBTGJ-INIZCTEOSA-N 0 0 393.487 3.579 50 10 GHCARN O=C1N/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccccc1F ZINC000004498320 570379255 /nfs/dbraw/zinc/37/92/55/570379255.db2.gz TZWGBWKXSAARSE-LDADJPATSA-N 0 0 383.398 3.658 50 10 GHCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc([N+](=O)[O-])s1 ZINC000005504812 570615243 /nfs/dbraw/zinc/61/52/43/570615243.db2.gz QANQOVQLZMIZQX-UHFFFAOYSA-N 0 0 378.365 3.684 50 10 GHCARN COc1ccc2c3c(n(Cc4ccncc4)c(=O)c2c1OC)-c1ccccc1C3=O ZINC000524731923 570766866 /nfs/dbraw/zinc/76/68/66/570766866.db2.gz PCECIEHUMPZDMQ-UHFFFAOYSA-N 0 0 398.418 3.673 50 10 biogenic GHCARN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccccc1OC ZINC000004696428 570841373 /nfs/dbraw/zinc/84/13/73/570841373.db2.gz ANAPEUQISSFCBE-UYRXBGFRSA-N 0 0 377.440 3.876 50 10 GHCARN Cc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2)cc1 ZINC000004699121 570843377 /nfs/dbraw/zinc/84/33/77/570843377.db2.gz RBRQICNMGDUWEM-SABKFZPKSA-N 0 0 389.436 3.991 50 10 GHCARN COC(=O)Cn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1ccccc1 ZINC000044085960 570862679 /nfs/dbraw/zinc/86/26/79/570862679.db2.gz BAKNWAIMMOQXBO-UHFFFAOYSA-N 0 0 395.484 3.762 50 10 GHCARN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(C(=O)OC)=C1C ZINC000003641198 570879948 /nfs/dbraw/zinc/87/99/48/570879948.db2.gz IIBMFLLDFAWQNB-UNOMPAQXSA-N 0 0 382.435 3.926 50 10 GHCARN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000089904569 570918629 /nfs/dbraw/zinc/91/86/29/570918629.db2.gz FNINFASGRZVDQQ-HZPDHXFCSA-N 0 0 397.475 3.522 50 10 GHCARN CCc1ccc(N2N=C(C)/C(=C/c3ccc(OC(C)=O)c(OC)c3)C2=O)cc1 ZINC000033334124 570988433 /nfs/dbraw/zinc/98/84/33/570988433.db2.gz FDXQHCBPALVCFX-UNOMPAQXSA-N 0 0 378.428 3.989 50 10 GHCARN CN(C)c1ccc(CNC(=O)c2csc(NC(=O)c3cccc(F)c3)n2)cc1 ZINC000040355220 856748585 /nfs/dbraw/zinc/74/85/85/856748585.db2.gz SMATZTNMEKCOAZ-UHFFFAOYSA-N 0 0 398.463 3.531 50 10 GHCARN O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)N1CCCCCC1 ZINC000004176461 862841854 /nfs/dbraw/zinc/84/18/54/862841854.db2.gz DVPRIVYBOGIOKN-SSZFMOIBSA-N 0 0 392.521 3.820 50 10 GHCARN CNC(=O)Cc1nc(CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)cs1 ZINC000095451558 860587399 /nfs/dbraw/zinc/58/73/99/860587399.db2.gz PWKLVEPACOWFLY-INIZCTEOSA-N 0 0 395.528 3.901 50 10 GHCARN CCCCOc1ccc(C(=O)NC2=N[C@H](c3ccc(Cl)cc3)CC(=O)N2)cc1 ZINC000020924516 860674066 /nfs/dbraw/zinc/67/40/66/860674066.db2.gz INVCBSAVDGLKNX-SFHVURJKSA-N 0 0 399.878 3.866 50 10 GHCARN O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000001455670 212246519 /nfs/dbraw/zinc/24/65/19/212246519.db2.gz OTYYFMZBTVDVOL-RGEXLXHISA-N 0 0 380.469 3.568 50 10 GHCARN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000001309840 212235967 /nfs/dbraw/zinc/23/59/67/212235967.db2.gz IOWAKKKKQVUXGY-JXAWBTAJSA-N 0 0 392.411 3.510 50 10 GHCARN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1ccc(N2CCOCC2)cc1 ZINC000096759075 212156123 /nfs/dbraw/zinc/15/61/23/212156123.db2.gz QLLURSNOTBEGAO-SSZFMOIBSA-N 0 0 393.874 3.831 50 10 GHCARN CCN1CC[NH+](Cc2c([O-])ccc3c(C)c(-c4ccccc4)c(=O)oc32)CC1 ZINC000020605104 212150881 /nfs/dbraw/zinc/15/08/81/212150881.db2.gz AFVLEMHAUDMXRL-UHFFFAOYSA-N 0 0 378.472 3.612 50 10 GHCARN Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000003352526 220633427 /nfs/dbraw/zinc/63/34/27/220633427.db2.gz CUPSBPLZDTXDGH-UHFFFAOYSA-N 0 0 387.486 3.692 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3oc4c(c3C)C(=O)CC(C)(C)C4)CC2)cc1 ZINC000004865849 220778743 /nfs/dbraw/zinc/77/87/43/220778743.db2.gz AYAQSRZNYDDRME-UHFFFAOYSA-N 0 0 396.487 3.714 50 10 GHCARN CC1=CC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(C)cc4)cc3)C(=N)N2O1 ZINC000005013767 220811737 /nfs/dbraw/zinc/81/17/37/220811737.db2.gz IHXGFEDXDFOTOJ-PBOWYIGHSA-N 0 0 387.395 3.665 50 10 GHCARN CCCCOc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1OCC ZINC000005043040 220818807 /nfs/dbraw/zinc/81/88/07/220818807.db2.gz HRALFWLHOVUICC-NBVRZTHBSA-N 0 0 390.505 3.567 50 10 GHCARN Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C)sc2n1 ZINC000012553886 221205606 /nfs/dbraw/zinc/20/56/06/221205606.db2.gz SMUQTKJNDYIUTI-ZDUSSCGKSA-N 0 0 383.473 3.988 50 10 GHCARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000012587884 221211637 /nfs/dbraw/zinc/21/16/37/221211637.db2.gz SCZNKRXMQGVEMF-UHFFFAOYSA-N 0 0 395.532 3.689 50 10 GHCARN COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(Cc2ccco2)C1=O ZINC000013564079 221273494 /nfs/dbraw/zinc/27/34/94/221273494.db2.gz MVJCFKUGJDLHCT-PXNMLYILSA-N 0 0 391.470 3.707 50 10 GHCARN COc1ccc(N2CCN(C(=O)CCn3ccc4ccc(F)cc43)CC2)cc1 ZINC000013688783 221281299 /nfs/dbraw/zinc/28/12/99/221281299.db2.gz KXVMAOZXMLYESW-UHFFFAOYSA-N 0 0 381.451 3.528 50 10 GHCARN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(C)C2=O)o1 ZINC000015011936 221326642 /nfs/dbraw/zinc/32/66/42/221326642.db2.gz FYSUHDGGIZHJIB-RIYZIHGNSA-N 0 0 376.415 3.694 50 10 GHCARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000015684987 221341894 /nfs/dbraw/zinc/34/18/94/221341894.db2.gz PWPGVEBHZGRANF-BOPFTXTBSA-N 0 0 377.396 3.683 50 10 GHCARN O=C(C1=CN(c2ccc(F)cc2)c2ccccc2S1(=O)=O)N1CCCCC1 ZINC000048988476 132434796 /nfs/dbraw/zinc/43/47/96/132434796.db2.gz PCSLINHTXHKMFW-UHFFFAOYSA-N 0 0 386.448 3.605 50 10 GHCARN Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000058769179 136155685 /nfs/dbraw/zinc/15/56/85/136155685.db2.gz CRXSTIZGIHJILV-UHFFFAOYSA-N 0 0 378.501 3.826 50 10 GHCARN CCc1ccc(/C=C2\C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)cc1 ZINC000020356724 570253151 /nfs/dbraw/zinc/25/31/51/570253151.db2.gz CATUUSXLIFDFCL-PZNVHLGOSA-N 0 0 381.505 3.558 50 10 GHCARN CCOC(=O)NCCC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000048678477 570253779 /nfs/dbraw/zinc/25/37/79/570253779.db2.gz PEWDFMWXNORKML-JOCHJYFZSA-N 0 0 392.455 3.887 50 10 GHCARN CC(C)CCN(C[C@@H]1CN(Cc2ccccc2O)CCO1)C(=O)CC(C)C ZINC000034686573 570295646 /nfs/dbraw/zinc/29/56/46/570295646.db2.gz FJGVIEBHIBCRML-FQEVSTJZSA-N 0 0 376.541 3.514 50 10 GHCARN CCc1ccccc1OCCn1cccc1/C=C1/C(=N)N2OC(C)=CC2=NC1=O ZINC000005013957 570396249 /nfs/dbraw/zinc/39/62/49/570396249.db2.gz JOGCNQFIARQFRJ-MUPZJUBSSA-N 0 0 390.443 3.580 50 10 GHCARN Cc1cc(C=C2C(=O)NC(=S)N(C3CC3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000005029611 570400938 /nfs/dbraw/zinc/40/09/38/570400938.db2.gz NRXGZNZGEMVFAZ-YVLHZVERSA-N 0 0 399.903 3.537 50 10 GHCARN COc1ccc(C(=O)N2CCN(Cc3cc(C(C)C)c(C)cc3O)CC2)cc1 ZINC000025475301 570414643 /nfs/dbraw/zinc/41/46/43/570414643.db2.gz VUZKHVPTIZZCKX-UHFFFAOYSA-N 0 0 382.504 3.791 50 10 GHCARN CC1CCN(C(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 ZINC000005094200 570428969 /nfs/dbraw/zinc/42/89/69/570428969.db2.gz CKLSKBTYGOPXOY-SDNWHVSQSA-N 0 0 380.560 3.598 50 10 GHCARN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000054035271 570437410 /nfs/dbraw/zinc/43/74/10/570437410.db2.gz SRISLDMSLNAXJM-IBGZPJMESA-N 0 0 388.920 3.513 50 10 GHCARN CN(C)c1ccc(CN(C)C(=O)COc2ccc(Oc3ccccn3)cc2)cc1 ZINC000028495573 570460633 /nfs/dbraw/zinc/46/06/33/570460633.db2.gz RVZGYYJKLXQEKY-UHFFFAOYSA-N 0 0 391.471 3.977 50 10 GHCARN CCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 ZINC000006747941 570492004 /nfs/dbraw/zinc/49/20/04/570492004.db2.gz FZGVMXGBCYZWDS-JOCHJYFZSA-N 0 0 382.504 3.973 50 10 GHCARN CCNc1cc(N2CCN(CC)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006737975 570562410 /nfs/dbraw/zinc/56/24/10/570562410.db2.gz HCABQKFAPVCUOW-UHFFFAOYSA-N 0 0 376.460 3.613 50 10 GHCARN CC1CCN(c2cc(N(C)CCO)c3noc4c3c2C(=O)c2ccccc2-4)CC1 ZINC000006738007 570562462 /nfs/dbraw/zinc/56/24/62/570562462.db2.gz KQKIKBFTPZBZAG-UHFFFAOYSA-N 0 0 391.471 3.704 50 10 GHCARN O=c1cc2nc(-c3ccco3)nc(SCCOc3ccccc3Cl)n2[nH]1 ZINC000006915835 570703140 /nfs/dbraw/zinc/70/31/40/570703140.db2.gz SWYIEADAJLLTDO-UHFFFAOYSA-N 0 0 388.836 3.502 50 10 GHCARN COc1ccc(Br)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000032722612 570768573 /nfs/dbraw/zinc/76/85/73/570768573.db2.gz OOKCMAQSTHJOOZ-UHFFFAOYSA-N 0 0 377.282 3.796 50 10 GHCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(C(=O)N(C)C)cc1 ZINC000103807146 570888877 /nfs/dbraw/zinc/88/88/77/570888877.db2.gz DDBCDTKBGRIJTH-LDADJPATSA-N 0 0 382.851 3.760 50 10 GHCARN COc1ccc(N=Cc2c(C)[n-]n(-c3ccc(C)cc3C)c2=O)c([N+](=O)[O-])c1 ZINC000103883768 570890014 /nfs/dbraw/zinc/89/00/14/570890014.db2.gz XYDHWHCYQKRAMV-WJDWOHSUSA-N 0 0 380.404 3.939 50 10 GHCARN c1ccn(-c2ccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)cc2)c1 ZINC000002802698 570989274 /nfs/dbraw/zinc/98/92/74/570989274.db2.gz RFFZZLADSOVPJY-UHFFFAOYSA-N 0 0 377.411 3.921 50 10 GHCARN Cc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c(C)n1-c1ccccc1 ZINC000002635162 861450008 /nfs/dbraw/zinc/45/00/08/861450008.db2.gz PVFHICHWWAEZDJ-UHFFFAOYSA-N 0 0 383.835 3.938 50 10 GHCARN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]23CCC=C2N(C)C(=O)CC3)cc1 ZINC000169785384 859781006 /nfs/dbraw/zinc/78/10/06/859781006.db2.gz GHPWDHHHLSPVFV-QHCPKHFHSA-N 0 0 377.488 3.740 50 10 GHCARN CCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S ZINC000002240166 860418919 /nfs/dbraw/zinc/41/89/19/860418919.db2.gz MGIXZFXLRYXHLK-QINSGFPZSA-N 0 0 379.503 3.630 50 10 GHCARN CCOc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)cc1 ZINC000001241388 212232971 /nfs/dbraw/zinc/23/29/71/212232971.db2.gz HHVFYPORFJLLDS-NXVVXOECSA-N 0 0 382.466 3.813 50 10 GHCARN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1O ZINC000001244048 212232569 /nfs/dbraw/zinc/23/25/69/212232569.db2.gz QCEMVOFCBJNZBB-FRKPEAEDSA-N 0 0 387.438 3.535 50 10 GHCARN CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 ZINC000001188772 212227131 /nfs/dbraw/zinc/22/71/31/212227131.db2.gz AQNVWCXDNVGWIF-SFHVURJKSA-N 0 0 384.867 3.673 50 10 GHCARN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000001074375 212213492 /nfs/dbraw/zinc/21/34/92/212213492.db2.gz NAFGSKSXIFGJNN-RGEXLXHISA-N 0 0 392.411 3.510 50 10 GHCARN CN1C(=O)C(=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)C(=O)N(C)C1=S ZINC000001064104 212212539 /nfs/dbraw/zinc/21/25/39/212212539.db2.gz JYJGIQACIMXVTG-UHFFFAOYSA-N 0 0 395.267 3.852 50 10 GHCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)ccc3O)C2=N)S1 ZINC000004489100 220720737 /nfs/dbraw/zinc/72/07/37/220720737.db2.gz LKJJDLWQRNREAT-XQVAPKGHSA-N 0 0 393.266 3.574 50 10 GHCARN COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc([N+](=O)[O-])c1OC(C)=O ZINC000004738847 220757031 /nfs/dbraw/zinc/75/70/31/220757031.db2.gz INCORLWHCZKNPF-LZYBPNLTSA-N 0 0 395.367 3.818 50 10 GHCARN CCc1cc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1Cl ZINC000007256104 220991136 /nfs/dbraw/zinc/99/11/36/220991136.db2.gz STLIYYJDJVMZSL-UHFFFAOYSA-N 0 0 388.895 3.639 50 10 GHCARN Cc1cccc(-n2ccnc2SCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000007121640 220986591 /nfs/dbraw/zinc/98/65/91/220986591.db2.gz WIIZMSUVFIMAJA-UHFFFAOYSA-N 0 0 394.544 3.997 50 10 GHCARN COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000009190099 221073490 /nfs/dbraw/zinc/07/34/90/221073490.db2.gz LUGAJHDZWISBCG-MFOYZWKCSA-N 0 0 385.466 3.825 50 10 GHCARN CCOC(=O)c1sc(N2N=C(C)/C(=C\c3ccccc3OCC)C2=O)nc1C ZINC000009295999 221077317 /nfs/dbraw/zinc/07/73/17/221077317.db2.gz VFKTWLOCKRPSJR-RVDMUPIBSA-N 0 0 399.472 3.833 50 10 GHCARN Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)sc2n1 ZINC000010644899 221106140 /nfs/dbraw/zinc/10/61/40/221106140.db2.gz KDVKQCRAACCTRS-DDTOSNHZSA-N 0 0 389.521 3.593 50 10 GHCARN CCOc1ccc(NC(=O)C[C@@H]2SC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000012136867 221157479 /nfs/dbraw/zinc/15/74/79/221157479.db2.gz GFPNHNIXCQWEFP-INIZCTEOSA-N 0 0 388.420 3.822 50 10 GHCARN CCN(CC)c1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000013582300 221275721 /nfs/dbraw/zinc/27/57/21/221275721.db2.gz JBHXGRMFFHZGFB-BQGMYUGNSA-N 0 0 376.547 3.913 50 10 GHCARN O=C1NC(=S)N(CCC2=CCCCC2)C(=O)C1=CNc1ccc2c(c1)CCC2 ZINC000013511310 221270387 /nfs/dbraw/zinc/27/03/87/221270387.db2.gz LCYAPRPPEZIRMH-RGEXLXHISA-N 0 0 395.528 3.605 50 10 GHCARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000013801924 221289823 /nfs/dbraw/zinc/28/98/23/221289823.db2.gz HSGQNLPDTACCRP-AQTBWJFISA-N 0 0 378.384 3.862 50 10 GHCARN O=C1/C(=C\c2ccc3nccnc3c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000013721019 221284792 /nfs/dbraw/zinc/28/47/92/221284792.db2.gz AQYZEJXUKWVVON-CAOOACKPSA-N 0 0 393.449 3.764 50 10 GHCARN COc1cccc(OCCOc2ccccc2C=C2SC(=S)NC2=O)c1 ZINC000013943170 221292966 /nfs/dbraw/zinc/29/29/66/221292966.db2.gz CRMFXTYCNCTQPO-BOPFTXTBSA-N 0 0 387.482 3.642 50 10 GHCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCCCCC3)C2=O)cc1 ZINC000013810258 221290730 /nfs/dbraw/zinc/29/07/30/221290730.db2.gz MEYUYYUZDRTIMR-VKAVYKQESA-N 0 0 388.558 3.989 50 10 GHCARN O=C1Nc2ccc([N+](=O)[O-])cc2C1=C1SC(=S)N(Cc2ccccc2)C1=O ZINC000017179996 221381344 /nfs/dbraw/zinc/38/13/44/221381344.db2.gz CWJRFUMWQDBGOL-CCEZHUSRSA-N 0 0 397.437 3.968 50 10 GHCARN CCOC(=O)c1c2c(sc1NC(=O)CCC(=O)OC)C[C@@H](C(C)(C)C)CC2 ZINC000020158759 221476657 /nfs/dbraw/zinc/47/66/57/221476657.db2.gz YPBSVGNYNKNHGM-LBPRGKRZSA-N 0 0 395.521 3.968 50 10 GHCARN CCCOC(=O)CN1C(=O)/C(=C/c2ccc(OCCC)cc2)SC1=S ZINC000001809346 528576939 /nfs/dbraw/zinc/57/69/39/528576939.db2.gz JRDCYQWXPRBVRK-PTNGSMBKSA-N 0 0 379.503 3.630 50 10 GHCARN CCOc1cc(Br)cc(/C=C2\SC(=S)N(CC)C2=O)c1O ZINC000001161165 570251699 /nfs/dbraw/zinc/25/16/99/570251699.db2.gz CEMDJWHGLLUYHB-WDZFZDKYSA-N 0 0 388.308 3.775 50 10 GHCARN O=C1/C(=C/c2cc3c(cc2Cl)OCO3)SC(=S)N1Cc1cccnc1 ZINC000001161316 570252059 /nfs/dbraw/zinc/25/20/59/570252059.db2.gz PKJOUSXJIDJGDG-WCSRMQSCSA-N 0 0 390.873 3.865 50 10 GHCARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2CCCN2[C@H]1c1ccc(N(C)C)cc1 ZINC000085988149 570264573 /nfs/dbraw/zinc/26/45/73/570264573.db2.gz OAMKFWMVSREIQF-FXAWDEMLSA-N 0 0 385.895 3.924 50 10 GHCARN CN(C)c1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3nnnn32)cc1 ZINC000100821176 570278216 /nfs/dbraw/zinc/27/82/16/570278216.db2.gz COMSVUTXEQMBSD-QGZVFWFLSA-N 0 0 397.280 3.558 50 10 GHCARN COC(=O)c1ccc(-n2c(C)cc(-c3csc(N4CCOCC4)n3)c2C)cc1 ZINC000021275229 570289788 /nfs/dbraw/zinc/28/97/88/570289788.db2.gz MDWYAFIUWBWBGF-UHFFFAOYSA-N 0 0 397.500 3.841 50 10 GHCARN CCOc1ccc(N(C(C)=O)C2=NC(=O)/C(=C/c3ccccc3O)S2)cc1 ZINC000000679314 570290343 /nfs/dbraw/zinc/29/03/43/570290343.db2.gz KZPQLWOUDZSXFG-PDGQHHTCSA-N 0 0 382.441 3.814 50 10 GHCARN CSc1ccc(C(=O)c2coc3ccc(O)c(CN4CCN(C)CC4)c23)cc1 ZINC000218505679 570335933 /nfs/dbraw/zinc/33/59/33/570335933.db2.gz KRYSOOHNAWQKDV-UHFFFAOYSA-N 0 0 396.512 3.839 50 10 GHCARN Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1SCCN1C(=O)CCC1=O ZINC000023139042 570346083 /nfs/dbraw/zinc/34/60/83/570346083.db2.gz KRJRWCAFQRXZAH-UHFFFAOYSA-N 0 0 391.496 3.995 50 10 GHCARN CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000023653159 570368363 /nfs/dbraw/zinc/36/83/63/570368363.db2.gz FTDACEIQEWMEHS-UHFFFAOYSA-N 0 0 398.551 3.711 50 10 GHCARN O=C1N=C(NC2CCCC2)SC1=Cc1cc2c(cc1Br)OCO2 ZINC000012563839 570388030 /nfs/dbraw/zinc/38/80/30/570388030.db2.gz KTNBRDZEPNOLBN-NSIKDUERSA-N 0 0 395.278 3.680 50 10 GHCARN N=C1/C(=C\c2ccc(O)cc2)C(=O)N=C2SC(c3ccccc3Cl)=NN21 ZINC000026608362 570389855 /nfs/dbraw/zinc/38/98/55/570389855.db2.gz HHCWEYBMOXKZCO-FZKGXIISSA-N 0 0 382.832 3.713 50 10 GHCARN CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCC ZINC000005014061 570396347 /nfs/dbraw/zinc/39/63/47/570396347.db2.gz RIWWELFIDSGQPZ-NHSARVKJSA-N 0 0 375.812 3.588 50 10 GHCARN CCCCCOC(=O)CN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S ZINC000005214250 570511949 /nfs/dbraw/zinc/51/19/49/570511949.db2.gz OBDLMMPACUMZKX-RVDMUPIBSA-N 0 0 379.503 3.630 50 10 GHCARN COc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc1Cl ZINC000032964050 570547163 /nfs/dbraw/zinc/54/71/63/570547163.db2.gz HGGKEFIEODVKNA-HOMCDIFHSA-N 0 0 399.863 3.778 50 10 GHCARN Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(C)n1-c1ccccc1 ZINC000005894334 570801871 /nfs/dbraw/zinc/80/18/71/570801871.db2.gz VOZRLRLIWGACDV-UHFFFAOYSA-N 0 0 397.500 3.597 50 10 GHCARN Cc1c([O-])c(C[NH+](C)C)cc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 ZINC000002159604 570836351 /nfs/dbraw/zinc/83/63/51/570836351.db2.gz MMOCWRTZXXMUFK-UHFFFAOYSA-N 0 0 377.396 3.642 50 10 biogenic GHCARN COc1cc(/C=C2\C(C)=NN(c3ccc(C(=O)OC(C)C)cc3)C2=O)ccc1O ZINC000103504177 570885645 /nfs/dbraw/zinc/88/56/45/570885645.db2.gz WMFYVEQNLVVPDA-WOJGMQOQSA-N 0 0 394.427 3.772 50 10 GHCARN Cc1cccc(Cn2cccc(C(=O)N(C)[C@H](C)c3ccccc3O)c2=O)c1 ZINC000097019213 570886147 /nfs/dbraw/zinc/88/61/47/570886147.db2.gz XEIYWAJOOFPLQA-QGZVFWFLSA-N 0 0 376.456 3.744 50 10 GHCARN COc1ccc(N2CC[C@@H](CNC(=S)Nc3cc(F)cc(F)c3)C2)cc1 ZINC000003051064 862149648 /nfs/dbraw/zinc/14/96/48/862149648.db2.gz FURJHTBJLSNULD-ZDUSSCGKSA-N 0 0 377.460 3.786 50 10 GHCARN O=C1N=C(N2CCOCC2)S/C1=C/c1cccc(OCc2ccccc2)c1 ZINC000002429583 858875650 /nfs/dbraw/zinc/87/56/50/858875650.db2.gz VDNIQYNUEGYEET-XMHGGMMESA-N 0 0 380.469 3.568 50 10 GHCARN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccnc1 ZINC000037865608 859522139 /nfs/dbraw/zinc/52/21/39/859522139.db2.gz PNCUEXXAJVGZDW-UVTDQMKNSA-N 0 0 389.527 3.763 50 10 GHCARN CC(C)(C)NC(=O)CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000002244371 860448730 /nfs/dbraw/zinc/44/87/30/860448730.db2.gz KGCGOFMXJNGYPI-RAXLEYEMSA-N 0 0 382.938 3.846 50 10 GHCARN COc1cc(/C=C2/SC(=S)N(CNc3ccc(C)cc3)C2=O)ccc1O ZINC000020072126 860481903 /nfs/dbraw/zinc/48/19/03/860481903.db2.gz QHSBMCRZPWYZON-LICLKQGHSA-N 0 0 386.498 3.980 50 10 GHCARN Cc1cc(C(=O)Oc2ccc(N3CCOC3=O)cc2)c(C)n1-c1ccccn1 ZINC000095356821 860555977 /nfs/dbraw/zinc/55/59/77/860555977.db2.gz ANMHRDMTTKRIRE-UHFFFAOYSA-N 0 0 377.400 3.665 50 10 GHCARN O=C(NCCc1ccccc1)c1c2ccccn2c2c1C(=O)c1ccccc1C2=O ZINC000095473394 860598878 /nfs/dbraw/zinc/59/88/78/860598878.db2.gz QWTNQDHRQWLBMY-UHFFFAOYSA-N 0 0 394.430 3.687 50 10 GHCARN CCCCOc1ccc(C(=O)NC2=N[C@@H](c3ccc(CC)cc3)CC(=O)N2)cc1 ZINC000020924433 860674132 /nfs/dbraw/zinc/67/41/32/860674132.db2.gz HOCVAEHUPGJIOQ-HXUWFJFHSA-N 0 0 393.487 3.775 50 10 GHCARN CC1=NN(CCc2nc(-c3ccccc3)cs2)C(=O)/C1=C1\CCCCCN1 ZINC000005695209 903037420 /nfs/dbraw/zinc/03/74/20/903037420.db2.gz UIRXNZGGFVRAOI-LVZFUZTISA-N 0 0 380.517 3.988 50 10 GHCARN COc1ccc(N2CCOCC2)c(NC(=O)C2(c3ccccc3)CCCC2)c1 ZINC000046077349 536705419 /nfs/dbraw/zinc/70/54/19/536705419.db2.gz TYOVBKLHFHRSNE-UHFFFAOYSA-N 0 0 380.488 3.982 50 10 GHCARN Cc1ccc(C)c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(N(C)C)cc2)c1 ZINC000001137948 212221623 /nfs/dbraw/zinc/22/16/23/212221623.db2.gz XINZFLXOMLCNSS-HXUWFJFHSA-N 0 0 394.544 3.801 50 10 GHCARN COc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)SC2=S)cc1 ZINC000001128331 212221169 /nfs/dbraw/zinc/22/11/69/212221169.db2.gz XGNGQCDNURXXQF-PFONDFGASA-N 0 0 386.429 3.562 50 10 GHCARN CN(C)c1ccc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1 ZINC000000955366 212199839 /nfs/dbraw/zinc/19/98/39/212199839.db2.gz XEJKGIAGZWRRKJ-CAPFRKAQSA-N 0 0 392.528 3.545 50 10 GHCARN CCN(CC)c1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(OC)c1 ZINC000003659068 220663758 /nfs/dbraw/zinc/66/37/58/220663758.db2.gz KEHDRMJKQQPYRU-XDHOZWIPSA-N 0 0 397.450 3.773 50 10 GHCARN CCOC(=O)N1CCC(NC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)CC1 ZINC000005483975 220876318 /nfs/dbraw/zinc/87/63/18/220876318.db2.gz MYRDZQWKLQFIJJ-UHFFFAOYSA-N 0 0 383.492 3.753 50 10 GHCARN Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000005516593 220879173 /nfs/dbraw/zinc/87/91/73/220879173.db2.gz SQQDNVDEXXTPAC-DVUFLMGDSA-N 0 0 377.473 3.960 50 10 GHCARN Cc1cc(C(=O)CSc2nc[nH]n2)c(C)n1-c1ccc(Br)cc1 ZINC000005620747 220888588 /nfs/dbraw/zinc/88/85/88/220888588.db2.gz ODNXONIKKINBEG-UHFFFAOYSA-N 0 0 391.294 3.950 50 10 GHCARN CCOc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1 ZINC000008613799 221047273 /nfs/dbraw/zinc/04/72/73/221047273.db2.gz LRMHHAUCHYBTSK-JOCHJYFZSA-N 0 0 382.504 3.973 50 10 GHCARN CCOC(=O)c1c(C)oc2cc(Br)c3oc(=O)c(C(C)=O)cc3c21 ZINC000011865261 221133404 /nfs/dbraw/zinc/13/34/04/221133404.db2.gz JFHIATSWUGCICN-UHFFFAOYSA-N 0 0 393.189 3.989 50 10 GHCARN COc1ccc(N2CCN(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000012564677 221209213 /nfs/dbraw/zinc/20/92/13/221209213.db2.gz IYGXMXHYYNHCAC-UHFFFAOYSA-N 0 0 393.409 3.746 50 10 GHCARN Cc1ccc(C)n1-c1nc(CC(=O)NCc2ccc3c(c2)CCCN3C)cs1 ZINC000058770063 136155709 /nfs/dbraw/zinc/15/57/09/136155709.db2.gz JDKJJFFNYXNFFJ-UHFFFAOYSA-N 0 0 394.544 3.792 50 10 GHCARN O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)N1CCCc2ccccc21 ZINC000004745514 136193996 /nfs/dbraw/zinc/19/39/96/136193996.db2.gz OJWRHZXYGADLCH-GHRIWEEISA-N 0 0 398.509 3.850 50 10 GHCARN Cc1cccc(NC2=NC(=O)C(=Cc3ccc(N4CCOCC4)cc3)S2)c1 ZINC000007163858 136195191 /nfs/dbraw/zinc/19/51/91/136195191.db2.gz VIAZELKFVMOWFW-XMHGGMMESA-N 0 0 379.485 3.914 50 10 GHCARN COc1cccc(-n2c(C)cc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)c2C)c1 ZINC000032449230 221722861 /nfs/dbraw/zinc/72/28/61/221722861.db2.gz PUYRHKLZLUUHIF-UHFFFAOYSA-N 0 0 376.416 3.525 50 10 GHCARN COc1ccc([C@H](c2c(O)ccc3ccccc32)N2CCOCC2)c(OC)c1 ZINC000019925595 570230151 /nfs/dbraw/zinc/23/01/51/570230151.db2.gz MCQQTDAWUXZMTO-HSZRJFAPSA-N 0 0 379.456 3.984 50 10 GHCARN Cc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000006275730 570240093 /nfs/dbraw/zinc/24/00/93/570240093.db2.gz REHAPVUIEOZXIG-DEDYPNTBSA-N 0 0 375.403 3.695 50 10 GHCARN Cc1ccc(C(C)(C)O[C@H]2CC(=O)Cc3c(O)c4cccc(O)c4c(O)c32)cc1 ZINC000101168292 570281533 /nfs/dbraw/zinc/28/15/33/570281533.db2.gz HWBQGRFPUCBOTB-CUWPLCDZSA-N 0 0 392.451 3.995 50 10 GHCARN COc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 ZINC000004909363 570362160 /nfs/dbraw/zinc/36/21/60/570362160.db2.gz SEYHHZWWLQUALC-SUIAZJLOSA-N 0 0 393.472 3.761 50 10 GHCARN CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccco3)c(OC)c2)SC1=S ZINC000004471083 570376340 /nfs/dbraw/zinc/37/63/40/570376340.db2.gz KIYHXSIFTBZZHU-XNTDXEJSSA-N 0 0 389.454 3.729 50 10 GHCARN COc1cc(C(F)(F)F)ccc1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000004708417 570396470 /nfs/dbraw/zinc/39/64/70/570396470.db2.gz GAMCCTYOJBSLPS-UHFFFAOYSA-N 0 0 380.366 3.803 50 10 GHCARN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccccc1[N+](=O)[O-] ZINC000033334419 570407162 /nfs/dbraw/zinc/40/71/62/570407162.db2.gz ZJKGNMJEKVTERL-LDADJPATSA-N 0 0 392.411 3.776 50 10 GHCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2cc(C)on2)C1=O ZINC000027530478 570435222 /nfs/dbraw/zinc/43/52/22/570435222.db2.gz QAMDDICDXNARPE-NVXXTVOZSA-N 0 0 399.497 3.769 50 10 GHCARN O=C(Cc1c(F)cccc1Cl)NCc1ccc(N2CCSCC2)cc1 ZINC000054035666 570437597 /nfs/dbraw/zinc/43/75/97/570437597.db2.gz CUFOZFAKEJNUEW-UHFFFAOYSA-N 0 0 378.900 3.891 50 10 GHCARN COc1ccc(N2CCN(CC(=O)c3c[nH]c4ccc(C)cc34)C[C@H]2C)cc1 ZINC000035844235 570464496 /nfs/dbraw/zinc/46/44/96/570464496.db2.gz ZEIMRPMNCPVADE-QGZVFWFLSA-N 0 0 377.488 3.878 50 10 GHCARN N=C1/C(=C/c2cccc3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000005164601 570472735 /nfs/dbraw/zinc/47/27/35/570472735.db2.gz BWVZVLSGLFOZLC-JMCWYTMQSA-N 0 0 383.436 3.902 50 10 GHCARN Cc1cccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1 ZINC000006747945 570566914 /nfs/dbraw/zinc/56/69/14/570566914.db2.gz PJMZSSWPTFLSGS-JOCHJYFZSA-N 0 0 382.504 3.648 50 10 GHCARN O=C(Nc1ccc2c(c1)OCCCO2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000058166805 570713952 /nfs/dbraw/zinc/71/39/52/570713952.db2.gz MZDNXXUFHZKGBG-GOSISDBHSA-N 0 0 398.459 3.767 50 10 GHCARN O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)NCc1ccco1 ZINC000000924821 570725868 /nfs/dbraw/zinc/72/58/68/570725868.db2.gz XKLMZZVDIGSWTM-SFHVURJKSA-N 0 0 397.500 3.731 50 10 GHCARN Cc1ccc(C)n1-c1ccc(C(=O)OCCCn2c(=O)[nH]c3ccccc32)cc1 ZINC000015152115 570786569 /nfs/dbraw/zinc/78/65/69/570786569.db2.gz ZDWMRBFEODSIKQ-UHFFFAOYSA-N 0 0 389.455 3.984 50 10 GHCARN CCc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(N(C)C)cc3)NC(=O)CN21 ZINC000002114054 570951141 /nfs/dbraw/zinc/95/11/41/570951141.db2.gz YYNKLAXNLRKKGI-XIQMRYHBSA-N 0 0 375.516 3.952 50 10 biogenic GHCARN CCOc1ccc(/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1OCC ZINC000004145271 570964530 /nfs/dbraw/zinc/96/45/30/570964530.db2.gz QBFFZLBCKAKVKX-AHFBHCKLSA-N 0 0 390.505 3.564 50 10 GHCARN Cc1cc(C(=O)CSc2ncnc3c2cnn3C)c(C)n1-c1ccccc1 ZINC000011495011 571049093 /nfs/dbraw/zinc/04/90/93/571049093.db2.gz PJIGNXHZHOXINB-UHFFFAOYSA-N 0 0 377.473 3.746 50 10 GHCARN COc1ccc(NC2=NC(=O)C(=Cc3cc(OC)c(O)c(OC)c3)S2)cc1 ZINC000028605531 851803202 /nfs/dbraw/zinc/80/32/02/851803202.db2.gz BDNJBQHXQJKVBF-YBEGLDIGSA-N 0 0 386.429 3.500 50 10 GHCARN CC(C)OC(=O)CCCCCN1C(=O)/C(=C/c2ccccn2)SC1=S ZINC000003267788 859934888 /nfs/dbraw/zinc/93/48/88/859934888.db2.gz KPFDMBDFVHMNDI-QINSGFPZSA-N 0 0 378.519 3.795 50 10 GHCARN COc1ccc(C2(C(=O)N3CCOc4ccc(N5CCCC5)cc4C3)CC2)cc1 ZINC000581789107 870002999 /nfs/dbraw/zinc/00/29/99/870002999.db2.gz NKSZZWCHIHXDJO-UHFFFAOYSA-N 0 0 392.499 3.748 50 10 GHCARN O=C1N=C(NC2CCCC2)SC1=Cc1cc2c(cc1Br)OCO2 ZINC000003353681 901141663 /nfs/dbraw/zinc/14/16/63/901141663.db2.gz KTNBRDZEPNOLBN-MKMNVTDBSA-N 0 0 395.278 3.680 50 10 GHCARN COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccc3)C2=O)cc1 ZINC000001510999 212249588 /nfs/dbraw/zinc/24/95/88/212249588.db2.gz IAPKMUYRQWMAFB-GHRIWEEISA-N 0 0 398.509 3.925 50 10 GHCARN COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000001238468 212232237 /nfs/dbraw/zinc/23/22/37/212232237.db2.gz OQUXARYYEBVOGF-WJDWOHSUSA-N 0 0 385.466 3.888 50 10 GHCARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(N(C)C)cc2)cc1C ZINC000001185939 212226787 /nfs/dbraw/zinc/22/67/87/212226787.db2.gz DBOBMOQTKLAETK-FQEVSTJZSA-N 0 0 378.476 3.636 50 10 GHCARN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)c1 ZINC000001166365 212225573 /nfs/dbraw/zinc/22/55/73/212225573.db2.gz VKSITPMEPIHXNV-PDGQHHTCSA-N 0 0 395.484 3.736 50 10 GHCARN CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)O1 ZINC000001060618 212210759 /nfs/dbraw/zinc/21/07/59/212210759.db2.gz YXCAXARLFFEEJQ-UHFFFAOYSA-N 0 0 377.736 3.728 50 10 GHCARN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(OC)c1O ZINC000000987469 212203230 /nfs/dbraw/zinc/20/32/30/212203230.db2.gz OUYFSZNFCWTUFO-MHWRWJLKSA-N 0 0 387.482 3.811 50 10 GHCARN CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)cc1 ZINC000000847236 212188763 /nfs/dbraw/zinc/18/87/63/212188763.db2.gz SLJQAIUPQUBJDR-NRFANRHFSA-N 0 0 393.487 3.904 50 10 GHCARN COc1ccc2c(c1)CCCN2Cn1nc(COc2ccccc2)n(C)c1=S ZINC000000716271 212177186 /nfs/dbraw/zinc/17/71/86/212177186.db2.gz LNUNRBGQENNTJM-UHFFFAOYSA-N 0 0 396.516 3.949 50 10 GHCARN COc1cccc(C(=O)Oc2cccc3c2C(=O)c2ccccc2C3=O)c1OC ZINC000004659161 220742800 /nfs/dbraw/zinc/74/28/00/220742800.db2.gz VJSGSVNPZASACU-UHFFFAOYSA-N 0 0 388.375 3.698 50 10 GHCARN CC1CCN(C(=O)CCN2C(=O)/C(=C\c3ccccc3F)SC2=S)CC1 ZINC000004745293 220759663 /nfs/dbraw/zinc/75/96/63/220759663.db2.gz KXMIINBCQZDCLL-FOWTUZBSSA-N 0 0 392.521 3.676 50 10 GHCARN O=C(CN1CCCCC1)Nc1cc(Cl)cc2c1C(=O)c1ccccc1C2=O ZINC000004772716 220762253 /nfs/dbraw/zinc/76/22/53/220762253.db2.gz ISOQNYQBHBLCTO-UHFFFAOYSA-N 0 0 382.847 3.540 50 10 GHCARN O=C(Oc1cccc2c1C(=O)c1c(O)cccc1C2=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000005003651 220810428 /nfs/dbraw/zinc/81/04/28/220810428.db2.gz RALBSMPFIOXCGQ-SJORKVTESA-N 0 0 384.387 3.877 50 10 GHCARN COc1ccc(NC(=O)CSc2ncc(-c3ccc(OC)cc3)n2C)cc1 ZINC000007423545 220997024 /nfs/dbraw/zinc/99/70/24/220997024.db2.gz ARMBFPJZIBZZAV-UHFFFAOYSA-N 0 0 383.473 3.835 50 10 GHCARN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1ccc(N2CCOCC2)cc1 ZINC000007586189 221002563 /nfs/dbraw/zinc/00/25/63/221002563.db2.gz QLLURSNOTBEGAO-DTQAZKPQSA-N 0 0 393.874 3.831 50 10 GHCARN Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000008171288 221029157 /nfs/dbraw/zinc/02/91/57/221029157.db2.gz UOGIPLPWPMIIJC-NRFANRHFSA-N 0 0 381.520 3.522 50 10 GHCARN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cnc3ccccc3n2)cc1 ZINC000008341186 221038282 /nfs/dbraw/zinc/03/82/82/221038282.db2.gz OILBZYAURIUXKM-LJQANCHMSA-N 0 0 390.487 3.517 50 10 GHCARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000008741166 221054467 /nfs/dbraw/zinc/05/44/67/221054467.db2.gz HGQBMEQNQCCPON-FQEVSTJZSA-N 0 0 394.544 3.801 50 10 GHCARN Cc1ccc(C)n1N1C(=O)/C(=C/c2coc3ccccc3c2=O)SC1=S ZINC000009233914 221074397 /nfs/dbraw/zinc/07/43/97/221074397.db2.gz ZXRNPFSEQGXSPH-SXGWCWSVSA-N 0 0 382.466 3.749 50 10 GHCARN Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N3c4ccccc4C[C@@H]3C)sc2n1 ZINC000010644878 221106431 /nfs/dbraw/zinc/10/64/31/221106431.db2.gz IIGSAWHBVGOGTM-ZDUSSCGKSA-N 0 0 395.484 3.630 50 10 GHCARN COc1ccc(OCc2noc(CN3CCCc4cc(OC)ccc43)n2)cc1 ZINC000012645258 221216781 /nfs/dbraw/zinc/21/67/81/221216781.db2.gz XXZBCXJMXBERKP-UHFFFAOYSA-N 0 0 381.432 3.619 50 10 GHCARN CC(C)C(=O)N1CCN(c2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000012655668 221218601 /nfs/dbraw/zinc/21/86/01/221218601.db2.gz BAWYYSSXWXHUGM-UHFFFAOYSA-N 0 0 385.895 3.897 50 10 GHCARN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(Br)cc1O ZINC000013895010 221293427 /nfs/dbraw/zinc/29/34/27/221293427.db2.gz AWPAEDONTXBWED-ZSOIEALJSA-N 0 0 387.233 3.969 50 10 GHCARN COCCCN1C(=O)/C(=C\c2cccc(OC)c2OC(F)F)SC1=S ZINC000014238518 221305824 /nfs/dbraw/zinc/30/58/24/221305824.db2.gz QIQHBMQCKGVPPL-FMIVXFBMSA-N 0 0 389.445 3.534 50 10 GHCARN COC(=O)C1=CN(c2ccc(F)c(Cl)c2)c2cc(F)ccc2S1(=O)=O ZINC000064979207 136158434 /nfs/dbraw/zinc/15/84/34/136158434.db2.gz GTMRXXYOTBSWAZ-UHFFFAOYSA-N 0 0 385.775 3.558 50 10 GHCARN CCC(=O)N1CCc2c1cccc2C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000065209943 136160021 /nfs/dbraw/zinc/16/00/21/136160021.db2.gz OKVUBKVUKGWKQU-UHFFFAOYSA-N 0 0 391.515 3.906 50 10 GHCARN O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1cccc(Br)c1 ZINC000030418961 221699976 /nfs/dbraw/zinc/69/99/76/221699976.db2.gz YOFCAJJYOBHUMN-UHFFFAOYSA-N 0 0 395.322 3.528 50 10 GHCARN CC(=O)C1=NN(c2ccccc2)/C(=C2/C(C)=NN(c3ccccc3)C2=O)S1 ZINC000063150995 222065893 /nfs/dbraw/zinc/06/58/93/222065893.db2.gz XAGKICQCXJYLGV-LVZFUZTISA-N 0 0 376.441 3.777 50 10 GHCARN Oc1ccccc1CN(Cc1noc(Cc2ccccc2)n1)C[C@@H]1CCCO1 ZINC000095957567 222364599 /nfs/dbraw/zinc/36/45/99/222364599.db2.gz UTVXQZCUSOPLKM-IBGZPJMESA-N 0 0 379.460 3.547 50 10 GHCARN CCOC(=O)c1cnc2c(/N=N/c3cccc(C(F)(F)F)c3)c(N)nn2c1N ZINC000097944946 570261138 /nfs/dbraw/zinc/26/11/38/570261138.db2.gz KZPDHINHJRKRSE-WCWDXBQESA-N 0 0 393.329 3.505 50 10 GHCARN CC(C)N1C(=O)C(=CNc2ccc(Cl)cc2)C(=O)N(Cc2ccco2)C1=O ZINC000100086147 570263264 /nfs/dbraw/zinc/26/32/64/570263264.db2.gz UDALTBKCEYKFMA-YBEGLDIGSA-N 0 0 387.823 3.628 50 10 GHCARN Oc1cc2c(cc1[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)OCO2 ZINC000020745067 570279062 /nfs/dbraw/zinc/27/90/62/570279062.db2.gz RSRXHKPLBDWUTH-GOSISDBHSA-N 0 0 382.243 3.849 50 10 GHCARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)c(C)c1 ZINC000004062681 570356396 /nfs/dbraw/zinc/35/63/96/570356396.db2.gz YKKZJHWXDWCMIW-UHFFFAOYSA-N 0 0 391.448 3.880 50 10 GHCARN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2C[C@H](O)c1ccc(O)cc1 ZINC000604405317 570361726 /nfs/dbraw/zinc/36/17/26/570361726.db2.gz YWYXDQRYRAQORH-FQEVSTJZSA-N 0 0 383.403 3.652 50 10 biogenic GHCARN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000005102146 570419055 /nfs/dbraw/zinc/41/90/55/570419055.db2.gz QOBLRJUBWCAVFE-YVLHZVERSA-N 0 0 377.396 3.601 50 10 GHCARN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000053914734 570439331 /nfs/dbraw/zinc/43/93/31/570439331.db2.gz DAXPWKHWTNCFGD-QGZVFWFLSA-N 0 0 386.879 3.556 50 10 GHCARN CCn1c(-c2ccc(-c3ccccc3)cc2)cnc1SCC(=O)NC(N)=O ZINC000006605876 570496800 /nfs/dbraw/zinc/49/68/00/570496800.db2.gz VNUUAEBTNQCBQC-UHFFFAOYSA-N 0 0 380.473 3.524 50 10 GHCARN Cc1cc(C(=O)CSc2nc(N)n[nH]2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000006606502 570497291 /nfs/dbraw/zinc/49/72/91/570497291.db2.gz NFHVWOAWXBZZHO-UHFFFAOYSA-N 0 0 395.410 3.788 50 10 GHCARN Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000009009956 570546247 /nfs/dbraw/zinc/54/62/47/570546247.db2.gz HBCJTDALZHFVAG-NTUHNPAUSA-N 0 0 391.855 3.983 50 10 GHCARN COc1ccc(NC2=NC(=O)C(=Cc3ccc([N+](=O)[O-])cc3)S2)c(OC)c1 ZINC000005551416 570632234 /nfs/dbraw/zinc/63/22/34/570632234.db2.gz XSSDQRRMGVADIE-SXGWCWSVSA-N 0 0 385.401 3.694 50 10 GHCARN COc1ccc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc1 ZINC000033333360 570989085 /nfs/dbraw/zinc/98/90/85/570989085.db2.gz AIFUWLADNPDUNB-SUIAZJLOSA-N 0 0 376.441 3.671 50 10 GHCARN Cc1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000002631384 861446547 /nfs/dbraw/zinc/44/65/47/861446547.db2.gz IYHMKZLIXFEIDA-UHFFFAOYSA-N 0 0 399.878 3.795 50 10 GHCARN CCOc1ccc2c(c1)SC1=NC(=O)/C(=C/c3ccc(O)c(OC)c3)C(=N)N21 ZINC000003859316 859977259 /nfs/dbraw/zinc/97/72/59/859977259.db2.gz KYMAQXFXYISFAV-IIQNZDCVSA-N 0 0 395.440 3.669 50 10 GHCARN COc1ccc(C=C2SC(NC3CCCC3)=NC2=O)cc1Br ZINC000021313945 860766836 /nfs/dbraw/zinc/76/68/36/860766836.db2.gz BENBCEGWFYJPGB-ZROIWOOFSA-N 0 0 381.295 3.960 50 10 GHCARN CCOC(=O)c1cnc(N2CCN(c3ccc(OC)cc3)CC2)c2ccccc12 ZINC000021650153 860876869 /nfs/dbraw/zinc/87/68/69/860876869.db2.gz RXKSXBHCPIKHTL-UHFFFAOYSA-N 0 0 391.471 3.747 50 10 GHCARN CN(C)c1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccccc3)C2=O)cc1 ZINC000003039655 900982285 /nfs/dbraw/zinc/98/22/85/900982285.db2.gz VBWJZXKCZWZEJS-FOWTUZBSSA-N 0 0 398.513 3.691 50 10 GHCARN Cn1cc(C=C2C(=O)NC(=S)N(CCC3=CCCCC3)C2=O)c2ccccc21 ZINC000001138591 918457491 /nfs/dbraw/zinc/45/74/91/918457491.db2.gz ZQUFHMKGEVUVRS-QGOAFFKASA-N 0 0 393.512 3.696 50 10 GHCARN CCOc1ccc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1 ZINC000001471555 212248115 /nfs/dbraw/zinc/24/81/15/212248115.db2.gz VUVKXXMLSTZXGD-CAPFRKAQSA-N 0 0 393.512 3.878 50 10 GHCARN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000000660184 212171444 /nfs/dbraw/zinc/17/14/44/212171444.db2.gz OHZKKVRERNZCTF-ZHZULCJRSA-N 0 0 395.430 3.750 50 10 GHCARN COc1ccc([C@@H]2CC(c3cc(Br)ccc3O)=NN2)c(OC)c1 ZINC000001447890 212143795 /nfs/dbraw/zinc/14/37/95/212143795.db2.gz OECQBOVEWWUFTE-AWEZNQCLSA-N 0 0 377.238 3.611 50 10 GHCARN COc1ccccc1OCCN1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O ZINC000000976750 220472636 /nfs/dbraw/zinc/47/26/36/220472636.db2.gz HQXXMXGNMKNORD-XMHGGMMESA-N 0 0 398.484 3.877 50 10 GHCARN O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1cccc(O)c1 ZINC000003066921 220601435 /nfs/dbraw/zinc/60/14/35/220601435.db2.gz ORKYHLMEAPLQSG-LFIBNONCSA-N 0 0 384.482 3.622 50 10 GHCARN Cc1cc(C)cc(OS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC000005234105 220847557 /nfs/dbraw/zinc/84/75/57/220847557.db2.gz SASNMFCSEHBKHB-UHFFFAOYSA-N 0 0 392.432 3.847 50 10 GHCARN CCc1cc(=O)oc2c1ccc1c2CN(c2cc(OC)c(OC)c(OC)c2)CO1 ZINC000005348303 220860205 /nfs/dbraw/zinc/86/02/05/220860205.db2.gz FYQSMDQYGRNRBO-UHFFFAOYSA-N 0 0 397.427 3.738 50 10 GHCARN CC1CCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccccc2O)CC1 ZINC000007814778 221013490 /nfs/dbraw/zinc/01/34/90/221013490.db2.gz ZVTYGQPQDWOICF-SFHVURJKSA-N 0 0 383.517 3.863 50 10 GHCARN Cc1cc(C)c2c(N)c(C(=O)OCC(=O)Nc3ccccc3Cl)sc2n1 ZINC000010644853 221106029 /nfs/dbraw/zinc/10/60/29/221106029.db2.gz BEYWZAHGRVXBNK-UHFFFAOYSA-N 0 0 389.864 3.944 50 10 GHCARN COc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1O ZINC000012285446 221174039 /nfs/dbraw/zinc/17/40/39/221174039.db2.gz CUTKGWUSPVMPFH-PNZWKLPWSA-N 0 0 384.461 3.600 50 10 GHCARN CCOC(=O)c1ccc(-n2c(C)cc(C=C3SC(=S)NC3=O)c2C)cc1 ZINC000013785961 221289222 /nfs/dbraw/zinc/28/92/22/221289222.db2.gz MZCRRZKRFBYGSA-MHWRWJLKSA-N 0 0 386.498 3.760 50 10 GHCARN CCN(CC)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC)C3=O)c2C)cc1 ZINC000014010259 221295362 /nfs/dbraw/zinc/29/53/62/221295362.db2.gz KYDAFKXENXYVDQ-XSFVSMFZSA-N 0 0 380.492 3.853 50 10 GHCARN COc1ccc2c(c1)OCC(/C=C1\SC(=S)N(c3cccnc3)C1=O)=C2 ZINC000014176965 221302351 /nfs/dbraw/zinc/30/23/51/221302351.db2.gz PGCJSCQVBRVAEF-IUXPMGMMSA-N 0 0 382.466 3.815 50 10 GHCARN CCc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(O)cc3)C2=O)cc1 ZINC000015799906 221345572 /nfs/dbraw/zinc/34/55/72/221345572.db2.gz XQJANDOWXUXFJA-GZTJUZNOSA-N 0 0 398.509 3.795 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)ns3)CC2)cc1 ZINC000065233095 136160625 /nfs/dbraw/zinc/16/06/25/136160625.db2.gz BXXIMZYQZMZFTP-UHFFFAOYSA-N 0 0 397.475 3.920 50 10 GHCARN Cc1noc(C)c1COc1ccccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000028020649 221666477 /nfs/dbraw/zinc/66/64/77/221666477.db2.gz ATKIMTPKIVYTRU-UHFFFAOYSA-N 0 0 379.460 3.866 50 10 GHCARN CN(C)c1ccc(CNC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)cc1 ZINC000032836277 221740868 /nfs/dbraw/zinc/74/08/68/221740868.db2.gz JAUXPQRIXILLPB-UHFFFAOYSA-N 0 0 389.902 3.826 50 10 GHCARN COc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)c1cccnc1 ZINC000033018559 221764965 /nfs/dbraw/zinc/76/49/65/221764965.db2.gz FPMODYMVEFNRTI-UHFFFAOYSA-N 0 0 399.454 3.712 50 10 GHCARN CCc1ccc(-c2noc(CN3CCN(c4ccc(OC)cc4)CC3)n2)cc1 ZINC000057798729 536160195 /nfs/dbraw/zinc/16/01/95/536160195.db2.gz YBTBEPVAFMZGED-UHFFFAOYSA-N 0 0 378.476 3.630 50 10 GHCARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)c1ccc(O)c(O)c1 ZINC000019809823 570221045 /nfs/dbraw/zinc/22/10/45/570221045.db2.gz AKBOXRXZGSWXBI-UHFFFAOYSA-N 0 0 397.412 3.566 50 10 GHCARN Cc1ccc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 ZINC000032939997 570229589 /nfs/dbraw/zinc/22/95/89/570229589.db2.gz HBQKYULPFINXJD-HMMYKYKNSA-N 0 0 377.513 3.783 50 10 GHCARN COc1cccc2c(O)c([C@@H](c3ccccc3OC)N3CCOCC3)ccc12 ZINC000020625046 570273215 /nfs/dbraw/zinc/27/32/15/570273215.db2.gz DYHRMNRAJQLQAP-JOCHJYFZSA-N 0 0 379.456 3.984 50 10 GHCARN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000000660139 570286777 /nfs/dbraw/zinc/28/67/77/570286777.db2.gz QGSSEIONKQFUSL-UNOMPAQXSA-N 0 0 379.412 3.581 50 10 GHCARN CCCCC1(C)OC(=O)C(=Cc2cc(Br)c(O)c(OC)c2)C(=O)O1 ZINC000002968658 570320701 /nfs/dbraw/zinc/32/07/01/570320701.db2.gz OASSSMLGHOKMPX-UHFFFAOYSA-N 0 0 399.237 3.553 50 10 GHCARN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC000004147446 570359856 /nfs/dbraw/zinc/35/98/56/570359856.db2.gz PXRVOAPBFKRNLO-UHFFFAOYSA-N 0 0 391.448 3.880 50 10 GHCARN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2Cc1ccc2c(c1)OCO2 ZINC000004381355 570372195 /nfs/dbraw/zinc/37/21/95/570372195.db2.gz KWEYDWYCDWNSTK-UHFFFAOYSA-N 0 0 381.387 3.990 50 10 GHCARN CN(C)c1ccc([C@@H](CNC(=O)c2ccco2)N2CCc3ccccc3C2)cc1 ZINC000005098791 570416167 /nfs/dbraw/zinc/41/61/67/570416167.db2.gz SDIOKOJNPJJPAF-JOCHJYFZSA-N 0 0 389.499 3.875 50 10 GHCARN CC1=NN(c2ccccc2)C(=O)/C1=C1/C(=O)Nc2c1cc(Br)cc2C ZINC000005102276 570429488 /nfs/dbraw/zinc/42/94/88/570429488.db2.gz ZMMGZBQPUXKKHB-FOCLMDBBSA-N 0 0 396.244 3.886 50 10 GHCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)N2CCCCC2)C1=O ZINC000027530469 570435240 /nfs/dbraw/zinc/43/52/40/570435240.db2.gz QIQBVZHADIMXBB-KDOCSACZSA-N 0 0 386.542 3.847 50 10 GHCARN Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000006589021 570486656 /nfs/dbraw/zinc/48/66/56/570486656.db2.gz JRDWZQMCUNBVHH-UHFFFAOYSA-N 0 0 386.455 3.603 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3cc(C(C)C)nc4onc(C)c43)CC2)cc1 ZINC000036358450 570563449 /nfs/dbraw/zinc/56/34/49/570563449.db2.gz MXFKJRPZQHOCIJ-UHFFFAOYSA-N 0 0 394.475 3.626 50 10 GHCARN O=C(CSc1nc2ccccc2[nH]1)NCc1cc(Cl)c2cccnc2c1O ZINC000012360105 570645530 /nfs/dbraw/zinc/64/55/30/570645530.db2.gz LMWXXMPKGSEJBN-UHFFFAOYSA-N 0 0 398.875 3.879 50 10 GHCARN Cc1[nH]nc2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)Nc1ccccc1)=C(C)N2 ZINC000072332687 570705832 /nfs/dbraw/zinc/70/58/32/570705832.db2.gz HTTCYNACRGLMIY-LJQANCHMSA-N 0 0 376.416 3.599 50 10 GHCARN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000004688401 570834393 /nfs/dbraw/zinc/83/43/93/570834393.db2.gz FFIGGBBHFAPHJZ-STZFKDTASA-N 0 0 390.483 3.934 50 10 GHCARN CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H](C)C3CCCCC3)cc2)CC1 ZINC000170604662 570862142 /nfs/dbraw/zinc/86/21/42/570862142.db2.gz MRTUVGZNXSISGE-GOSISDBHSA-N 0 0 385.552 3.578 50 10 GHCARN O=C(Nc1cccc(-c2nnco2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000047487499 570959095 /nfs/dbraw/zinc/95/90/95/570959095.db2.gz UXKBJXPUYNIZLR-GOSISDBHSA-N 0 0 394.431 3.655 50 10 GHCARN COc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1OC(F)F ZINC000083878075 570975169 /nfs/dbraw/zinc/97/51/69/570975169.db2.gz DVAPZMSMFORYPL-UHFFFAOYSA-N 0 0 376.403 3.609 50 10 GHCARN CC1CCN(c2ccc(CNC(=O)CC3=C4CCCC[C@H]4N(C)C3=O)cc2)CC1 ZINC000169785565 859781137 /nfs/dbraw/zinc/78/11/37/859781137.db2.gz QWBYALHIILNMTH-JOCHJYFZSA-N 0 0 395.547 3.640 50 10 GHCARN O=C(COC(=O)c1cc[n+]([O-])cc1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000606346370 859834299 /nfs/dbraw/zinc/83/42/99/859834299.db2.gz FDRFCAXKLPMBNW-UHFFFAOYSA-N 0 0 376.372 3.531 50 10 GHCARN COc1ccccc1NC(=O)c1cc2ccccc2c(C[NH+]2CCOCC2)c1[O-] ZINC000095350617 860555055 /nfs/dbraw/zinc/55/50/55/860555055.db2.gz YEPHHZCHPOZIGW-UHFFFAOYSA-N 0 0 392.455 3.639 50 10 GHCARN COc1ccc2c3c(n(-c4cccc(O)c4)c(=O)c2c1OC)-c1ccccc1C3=O ZINC000824764618 864136809 /nfs/dbraw/zinc/13/68/09/864136809.db2.gz MZXKDCIZXKMACW-UHFFFAOYSA-N 0 0 399.402 3.925 50 10 GHCARN CCOc1ccc(C2=C/C(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])C(=O)O2)cc1 ZINC000001202383 918531208 /nfs/dbraw/zinc/53/12/08/918531208.db2.gz HUWZVXLMQRDIAM-DHDCSXOGSA-N 0 0 397.383 3.992 50 10 GHCARN COc1cc(OC)cc([C@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)c1 ZINC000225496110 222680143 /nfs/dbraw/zinc/68/01/43/222680143.db2.gz GWLNWFIJSMSBIF-LJQANCHMSA-N 0 0 392.411 3.994 50 10 GHCARN CCCc1nnc(NC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)s1 ZINC000001903388 212260543 /nfs/dbraw/zinc/26/05/43/212260543.db2.gz GCDZLOGFULRTBJ-UHFFFAOYSA-N 0 0 379.441 3.809 50 10 GHCARN Cc1ccc([N-]S(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1C ZINC000001773964 212256003 /nfs/dbraw/zinc/25/60/03/212256003.db2.gz ZDROWCLOGMUCLM-UHFFFAOYSA-N 0 0 391.448 3.880 50 10 GHCARN CN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N(C)C1=S ZINC000001176864 212225844 /nfs/dbraw/zinc/22/58/44/212225844.db2.gz FLDBXJZQJSRQRN-UHFFFAOYSA-N 0 0 395.267 3.852 50 10 GHCARN Cc1cc(C)cc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(N(C)C)cc2)c1 ZINC000001114033 212219542 /nfs/dbraw/zinc/21/95/42/212219542.db2.gz JQVNMIXFWKEYQJ-FQEVSTJZSA-N 0 0 378.476 3.636 50 10 GHCARN COc1cc(/C=C2/SC(N3CCCCCC3)=NC2=O)cc(OC)c1OC ZINC000001066790 212212394 /nfs/dbraw/zinc/21/23/94/212212394.db2.gz OHVAIHPVLHIYLX-FOWTUZBSSA-N 0 0 376.478 3.559 50 10 GHCARN CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)OC)C3=O)c2C)cc1 ZINC000001018582 212206201 /nfs/dbraw/zinc/20/62/01/212206201.db2.gz ARJOWZMEGRFANY-WOJGMQOQSA-N 0 0 398.484 3.866 50 10 GHCARN COc1ccc(CC(=O)c2ccc([O-])c(C[N@@H+]3CCCC[C@H]3C)c2O)cc1OC ZINC000023135321 212154394 /nfs/dbraw/zinc/15/43/94/212154394.db2.gz DLJDTWLGKBTGRS-OAHLLOKOSA-N 0 0 399.487 3.915 50 10 biogenic GHCARN COc1ccc(N2CCN(Cc3cc(=O)oc4cc(C)c(C)cc34)CC2)cc1 ZINC000054105890 212132357 /nfs/dbraw/zinc/13/23/57/212132357.db2.gz FIYNLSFCNZNCDR-UHFFFAOYSA-N 0 0 378.472 3.741 50 10 GHCARN CCCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)C(=O)N(Cc2ccco2)C1=O ZINC000002178617 220507104 /nfs/dbraw/zinc/50/71/04/220507104.db2.gz VHCYRQJLPWZHBI-RGEXLXHISA-N 0 0 395.459 3.520 50 10 GHCARN COc1ccc(N(CCC(N)=O)Cc2noc(-c3ccc(F)cc3)c2C)cc1 ZINC000008708560 221050228 /nfs/dbraw/zinc/05/02/28/221050228.db2.gz DAXZEGFZFQHPIT-UHFFFAOYSA-N 0 0 383.423 3.680 50 10 GHCARN COc1ccc(N(Cc2ccccc2)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000011606509 221117510 /nfs/dbraw/zinc/11/75/10/221117510.db2.gz PKSTVRKIBJHTDE-UHFFFAOYSA-N 0 0 391.427 3.909 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)cc4)on3)CC2)cc1 ZINC000011916452 221135732 /nfs/dbraw/zinc/13/57/32/221135732.db2.gz XRASNJUFWQIKJE-UHFFFAOYSA-N 0 0 377.444 3.621 50 10 GHCARN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000012607898 221214921 /nfs/dbraw/zinc/21/49/21/221214921.db2.gz CIZCOHLSRKPOFH-KRWDZBQOSA-N 0 0 388.533 3.720 50 10 GHCARN O=C(CSc1nnc(NCCc2ccccc2)s1)c1ccc(O)c(O)c1 ZINC000012822088 221237414 /nfs/dbraw/zinc/23/74/14/221237414.db2.gz QGFMEODLXKNDLP-UHFFFAOYSA-N 0 0 387.486 3.579 50 10 GHCARN CCOc1ccc2c(c1)/C(=C1/SC(=S)N(Cc3ccccc3)C1=O)C(=O)N2 ZINC000013778174 221288361 /nfs/dbraw/zinc/28/83/61/221288361.db2.gz DURUMINVNKIPPW-MSUUIHNZSA-N 0 0 396.493 3.809 50 10 GHCARN O=C1/C(=C\c2cnc3ccccc3n2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000013691709 221282571 /nfs/dbraw/zinc/28/25/71/221282571.db2.gz ZPYCXNHGFKZRLA-REZTVBANSA-N 0 0 393.449 3.764 50 10 GHCARN CCCCOc1ccc(/C=C2\SC(=S)N(CCOC)C2=O)cc1OC ZINC000016115481 221357108 /nfs/dbraw/zinc/35/71/08/221357108.db2.gz BEVGFECPOVCJSZ-VBKFSLOCSA-N 0 0 381.519 3.722 50 10 GHCARN COc1ccccc1OCCOc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000016182965 221358813 /nfs/dbraw/zinc/35/88/13/221358813.db2.gz CXSNVYGPMHRGRJ-ATVHPVEESA-N 0 0 387.482 3.642 50 10 GHCARN COc1ccc(Cl)cc1-n1c(C)cc(C(=O)O[C@H](C)C(=O)NC(C)C)c1C ZINC000016685458 221368320 /nfs/dbraw/zinc/36/83/20/221368320.db2.gz HPPCTNUYZMKGLK-CQSZACIVSA-N 0 0 392.883 3.826 50 10 GHCARN Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)no1 ZINC000016056053 221356008 /nfs/dbraw/zinc/35/60/08/221356008.db2.gz IQOVGLTVTWXASG-INIZCTEOSA-N 0 0 381.432 3.883 50 10 GHCARN COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)C1CC1 ZINC000020729379 221510174 /nfs/dbraw/zinc/51/01/74/221510174.db2.gz AZJIRMOVGKLBMR-UHFFFAOYSA-N 0 0 376.460 3.804 50 10 GHCARN Cc1cccc(N2C(=N)S/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)c1 ZINC000096602612 136187284 /nfs/dbraw/zinc/18/72/84/136187284.db2.gz DHINOWMXPDITNE-QTQSSRPMSA-N 0 0 379.485 3.887 50 10 GHCARN Cc1cc(C(=O)NC[C@@H]2COc3ccccc3O2)c(C)n1-c1ccccc1F ZINC000058391561 222051467 /nfs/dbraw/zinc/05/14/67/222051467.db2.gz WWSRDKHYJJROAD-MRXNPFEDSA-N 0 0 380.419 3.803 50 10 GHCARN COc1ccc(N2CCN(c3nccn4nc(-c5cccs5)cc34)CC2)cc1 ZINC000067285251 222143486 /nfs/dbraw/zinc/14/34/86/222143486.db2.gz WRPZULGQMHRJPV-UHFFFAOYSA-N 0 0 391.500 3.793 50 10 GHCARN Cc1cc(C(=O)CSc2nnc(N)n2C2CC2)c(C)n1-c1ccccc1C ZINC000044040498 570232527 /nfs/dbraw/zinc/23/25/27/570232527.db2.gz AORORLFUPQQCMF-UHFFFAOYSA-N 0 0 381.505 3.886 50 10 GHCARN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCc1ccc(O)c(O)c1 ZINC000604405393 570361673 /nfs/dbraw/zinc/36/16/73/570361673.db2.gz RXDCEZSPFMIMEM-UHFFFAOYSA-N 0 0 383.403 3.867 50 10 biogenic GHCARN C[C@@H]1CCCC[C@@]12NC(=O)N(CN(C)Cc1ccc(N3CCCCC3)cc1)C2=O ZINC000023653291 570368486 /nfs/dbraw/zinc/36/84/86/570368486.db2.gz UQEQEIIUUFHENS-WZONZLPQSA-N 0 0 398.551 3.567 50 10 GHCARN C[C@@H]1CN(C2=NC(=O)/C(=C\c3ccc(Br)cc3)S2)C[C@H](C)O1 ZINC000004614661 570387574 /nfs/dbraw/zinc/38/75/74/570387574.db2.gz UCXZZOXSGKTSOF-WMNKIYBBSA-N 0 0 381.295 3.529 50 10 GHCARN COC(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000006441005 570423651 /nfs/dbraw/zinc/42/36/51/570423651.db2.gz MZTOFXHVNVHJNX-UHFFFAOYSA-N 0 0 385.375 3.501 50 10 GHCARN Cc1oc2ccc([O-])c(C[N@@H+](C)C3CCN(C)CC3)c2c1C(=O)NC1CCCC1 ZINC000005182461 570496334 /nfs/dbraw/zinc/49/63/34/570496334.db2.gz JCFMPIWQMBECBT-UHFFFAOYSA-N 0 0 399.535 3.645 50 10 GHCARN CN1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2O)N3)C1 ZINC000006732672 570557252 /nfs/dbraw/zinc/55/72/52/570557252.db2.gz JROGYPQNSRRQEU-AWEZNQCLSA-N 0 0 394.294 3.633 50 10 GHCARN CCOc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000006747965 570566931 /nfs/dbraw/zinc/56/69/31/570566931.db2.gz SKURDGRHALRMIB-HXUWFJFHSA-N 0 0 382.504 3.973 50 10 GHCARN COc1ccc(Oc2ccc(C=C3SC(=S)NC3=O)cc2[N+](=O)[O-])cc1 ZINC000012540086 570678687 /nfs/dbraw/zinc/67/86/87/570678687.db2.gz KMOBWPLIPKLYQX-DHDCSXOGSA-N 0 0 388.426 3.885 50 10 GHCARN CN1c2ccc(Br)cc2/C(=C2\SC(c3ccccc3)=NC2=O)C1=O ZINC000096602059 570774289 /nfs/dbraw/zinc/77/42/89/570774289.db2.gz NYNJXNVAUVBTDA-CCEZHUSRSA-N 0 0 399.269 3.857 50 10 GHCARN CCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2Br)SC1=S ZINC000005926478 570804525 /nfs/dbraw/zinc/80/45/25/570804525.db2.gz YEHVQTKYNVUELF-WUXMJOGZSA-N 0 0 388.308 3.687 50 10 GHCARN COc1ccc(-c2cnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2C)cc1 ZINC000007423555 570840775 /nfs/dbraw/zinc/84/07/75/570840775.db2.gz HMGVUFSDVJIDHM-UHFFFAOYSA-N 0 0 397.456 3.555 50 10 GHCARN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000004525709 570842976 /nfs/dbraw/zinc/84/29/76/570842976.db2.gz YRZPNULKQNAGAT-ZDLGFXPLSA-N 0 0 391.423 3.597 50 10 GHCARN O=C1S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1CCc1ccccc1 ZINC000004739747 570953778 /nfs/dbraw/zinc/95/37/78/570953778.db2.gz LOZTYHNTMYDODT-CAPFRKAQSA-N 0 0 394.496 3.802 50 10 GHCARN CC1=CSC2=NC(=O)/C(=C/c3cccc(OC(=O)c4ccco4)c3)C(=N)N12 ZINC000004644031 841918181 /nfs/dbraw/zinc/91/81/81/841918181.db2.gz OVHWRHWRXIXNSQ-UWRFPUSRSA-N 0 0 379.397 3.666 50 10 GHCARN CC[C@H](C)N1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)NC1=S ZINC000004873024 842798330 /nfs/dbraw/zinc/79/83/30/842798330.db2.gz NTUUOWUQNNUIOZ-YQNUULROSA-N 0 0 395.528 3.828 50 10 GHCARN CCc1ccc(N2N=C(C)/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000005046730 843411076 /nfs/dbraw/zinc/41/10/76/843411076.db2.gz XTOZDLHZXBXTAO-JWGURIENSA-N 0 0 375.472 3.892 50 10 GHCARN O=C1/C(=C/c2cc3ccccc3[nH]c2=O)SC(=S)N1Cc1ccccc1 ZINC000008575240 856267468 /nfs/dbraw/zinc/26/74/68/856267468.db2.gz CPQAHEHIMGNFIP-BOPFTXTBSA-N 0 0 378.478 3.930 50 10 GHCARN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)c1C ZINC000004276426 862925625 /nfs/dbraw/zinc/92/56/25/862925625.db2.gz FEBVIWRQVSPEDM-UHFFFAOYSA-N 0 0 391.448 3.880 50 10 GHCARN CC1CCN(c2ccc(CNC(=O)CC3=C4CCCC[C@@H]4N(C)C3=O)cc2)CC1 ZINC000169785564 859780824 /nfs/dbraw/zinc/78/08/24/859780824.db2.gz QWBYALHIILNMTH-QFIPXVFZSA-N 0 0 395.547 3.640 50 10 GHCARN CNC(=O)CCc1ccc(CC2CC[NH+](Cc3cccc(F)c3[O-])CC2)cc1 ZINC000581813951 870058509 /nfs/dbraw/zinc/05/85/09/870058509.db2.gz ZDFODEWHQBRBJO-UHFFFAOYSA-N 0 0 384.495 3.665 50 10 GHCARN Oc1ccc(F)cc1C1=NN[C@@H](c2cc(Br)cc3c2OCOC3)C1 ZINC000001504461 212247117 /nfs/dbraw/zinc/24/71/17/212247117.db2.gz SNLYBWVQESYLOP-OAHLLOKOSA-N 0 0 393.212 3.599 50 10 GHCARN Cc1cc(C=C2C(=O)NC(=S)N(C3CC3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000001279688 212234159 /nfs/dbraw/zinc/23/41/59/212234159.db2.gz JIYISYNRMFTZKK-WQRHYEAKSA-N 0 0 379.485 3.603 50 10 GHCARN COc1ccc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc1Br ZINC000001185259 212227333 /nfs/dbraw/zinc/22/73/33/212227333.db2.gz PQEWTDCFAPGLEK-UHFFFAOYSA-N 0 0 383.238 3.703 50 10 GHCARN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccccc2)C1=O ZINC000001188090 212227469 /nfs/dbraw/zinc/22/74/69/212227469.db2.gz WCPYMVFSGUDCMV-LGMDPLHJSA-N 0 0 398.509 3.925 50 10 GHCARN CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N2CCCCC2)cc1 ZINC000000820342 212185055 /nfs/dbraw/zinc/18/50/55/212185055.db2.gz ALSDSRCOWVOSGV-HEHNFIMWSA-N 0 0 377.488 3.536 50 10 GHCARN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc(N2CCOCC2)cc1 ZINC000096759104 212155580 /nfs/dbraw/zinc/15/55/80/212155580.db2.gz FIUJDXAYYGPHDX-GHRIWEEISA-N 0 0 393.512 3.856 50 10 GHCARN O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000002214134 220511153 /nfs/dbraw/zinc/51/11/53/220511153.db2.gz VBQJIXVNGOIMCX-NVNXTCNLSA-N 0 0 381.438 3.697 50 10 GHCARN CC[C@H](C)Oc1cccc(C(=O)Nc2cc(OC)ccc2N2CCOCC2)c1 ZINC000007496945 220999773 /nfs/dbraw/zinc/99/97/73/220999773.db2.gz KLUYBKJMIHUHCZ-INIZCTEOSA-N 0 0 384.476 3.961 50 10 GHCARN CCOC(=O)[C@H]1CCCCN1Cc1cc(-c2cc(OC)ccc2OC)ccc1O ZINC000012127800 221156163 /nfs/dbraw/zinc/15/61/63/221156163.db2.gz WJHNBSWMDAJKBB-HXUWFJFHSA-N 0 0 399.487 3.994 50 10 GHCARN COc1ccc(N(CCC(N)=O)Cc2csc(-c3ccccc3OC)n2)cc1 ZINC000012594418 221213155 /nfs/dbraw/zinc/21/31/55/221213155.db2.gz AAFJKGVERZZAFM-UHFFFAOYSA-N 0 0 397.500 3.709 50 10 GHCARN Cc1occc1C(=O)NN1C(=O)/C(=C\c2ccc3ncccc3c2)SC1=S ZINC000013693361 221281531 /nfs/dbraw/zinc/28/15/31/221281531.db2.gz GXIJDTHRAYOJNT-MHWRWJLKSA-N 0 0 395.465 3.682 50 10 GHCARN CCN(CC)c1ccc(/C=c2\sc3nc(-c4ccccc4C)nn3c2=O)cc1 ZINC000013750365 221286508 /nfs/dbraw/zinc/28/65/08/221286508.db2.gz YPWWLOVWIXQBSK-RGEXLXHISA-N 0 0 390.512 3.520 50 10 GHCARN CC(=O)Nc1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(N2CCCCC2)c1 ZINC000065165841 136159642 /nfs/dbraw/zinc/15/96/42/136159642.db2.gz PKLAVBOOUKVZCJ-UHFFFAOYSA-N 0 0 394.519 3.631 50 10 GHCARN COc1ccc(N2CCN(C(=O)c3ccc(-c4cccs4)nc3)CC2)cc1 ZINC000096373290 136186696 /nfs/dbraw/zinc/18/66/96/136186696.db2.gz SEYYFUYROIIDQZ-UHFFFAOYSA-N 0 0 379.485 3.781 50 10 GHCARN Cc1ccc(CN2C(=O)N/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)cc1 ZINC000027570988 221655736 /nfs/dbraw/zinc/65/57/36/221655736.db2.gz FCOIBYRSWNVSFU-STZFKDTASA-N 0 0 375.472 3.997 50 10 GHCARN Cc1cc(/C=C/C(=O)Nc2ccc(S(C)(=O)=O)nc2)c(C)n1-c1ccccc1 ZINC000060740019 222060195 /nfs/dbraw/zinc/06/01/95/222060195.db2.gz DXEVOARTFTWMOE-PKNBQFBNSA-N 0 0 395.484 3.545 50 10 GHCARN COc1ccc(N2CCN(CC(=O)c3ccc(Br)s3)CC2)cc1 ZINC000067206147 222140225 /nfs/dbraw/zinc/14/02/25/222140225.db2.gz IYUCZBILQSUBGD-UHFFFAOYSA-N 0 0 395.322 3.524 50 10 GHCARN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](O)c1ccc(F)c(F)c1 ZINC000069351074 222173472 /nfs/dbraw/zinc/17/34/72/222173472.db2.gz JRUMFHTUFNPMNN-QGZVFWFLSA-N 0 0 376.428 3.897 50 10 GHCARN O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)NCc1ccccc1 ZINC000000882769 570228108 /nfs/dbraw/zinc/22/81/08/570228108.db2.gz ZUWUIGKFBJCFIX-UHFFFAOYSA-N 0 0 392.440 3.800 50 10 GHCARN CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c(C[NH+](C)C)c1[O-] ZINC000000630490 570278283 /nfs/dbraw/zinc/27/82/83/570278283.db2.gz OBVFJCCARDWRFB-UHFFFAOYSA-N 0 0 381.428 3.561 50 10 biogenic GHCARN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000000651404 570282191 /nfs/dbraw/zinc/28/21/91/570282191.db2.gz VPVYKLZADDWOPP-DHDCSXOGSA-N 0 0 378.266 3.778 50 10 GHCARN COc1ccc(N2CCN(C(=O)CSc3ccc(Cl)cc3)CC2)cc1 ZINC000003538301 570347870 /nfs/dbraw/zinc/34/78/70/570347870.db2.gz GJURYYZZCZGSAZ-UHFFFAOYSA-N 0 0 376.909 3.790 50 10 GHCARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc(O)c(O)c1 ZINC000023561887 570365571 /nfs/dbraw/zinc/36/55/71/570365571.db2.gz XDJJPWGARUDHJD-UHFFFAOYSA-N 0 0 393.424 3.914 50 10 GHCARN O=C1N/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccc(F)cc1 ZINC000004688430 570393147 /nfs/dbraw/zinc/39/31/47/570393147.db2.gz PYGINVLQWBIKOM-XSFVSMFZSA-N 0 0 379.435 3.909 50 10 GHCARN N=C1/C(=C/c2ccc(O)cc2)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN21 ZINC000005142055 570425958 /nfs/dbraw/zinc/42/59/58/570425958.db2.gz HATYGAZSCFWNIN-ATNGQLTKSA-N 0 0 396.859 3.907 50 10 GHCARN CC1=C(C(=O)O[C@@H]2CC[C@H](C)[C@@H](C)C2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 ZINC000239174090 570428458 /nfs/dbraw/zinc/42/84/58/570428458.db2.gz PGIBQQKMAPFGKC-WHQNNVSFSA-N 0 0 385.508 3.748 50 10 GHCARN O=C1C[C@@H](N2CCSCC2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000100712930 570435159 /nfs/dbraw/zinc/43/51/59/570435159.db2.gz NZXMZSQASAWFTA-UGNPLGLKSA-N 0 0 380.473 3.783 50 10 GHCARN COC(=O)c1cc(NC=C2C(=O)N(c3ccc(F)cc3)N=C2C)ccc1Cl ZINC000005575901 570447210 /nfs/dbraw/zinc/44/72/10/570447210.db2.gz FJPJPZFVAFGLAS-YBEGLDIGSA-N 0 0 387.798 3.984 50 10 GHCARN CC(C)SC1=NSC2=NC(=O)/C(=C\c3ccc(Br)o3)C(=N)N12 ZINC000032957615 570450983 /nfs/dbraw/zinc/45/09/83/570450983.db2.gz RVLIPWCUKYMYMF-PPVHLYJCSA-N 0 0 399.295 3.760 50 10 GHCARN CC(C)CCN1C(=O)/C(=C/N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000030819356 570497030 /nfs/dbraw/zinc/49/70/30/570497030.db2.gz NKTZCUQBVGRJRW-SDXDJHTJSA-N 0 0 389.590 3.552 50 10 GHCARN CN(CCO)c1cc(NCc2ccco2)c2c3c1noc3-c1ccccc1C2=O ZINC000006737994 570562425 /nfs/dbraw/zinc/56/24/25/570562425.db2.gz UINQFABPSFYMNX-UHFFFAOYSA-N 0 0 389.411 3.673 50 10 GHCARN CCN(CC)c1ccc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 ZINC000005568177 570665116 /nfs/dbraw/zinc/66/51/16/570665116.db2.gz BAPAVFIAXYOZLS-QPBLZFLPSA-N 0 0 395.410 3.714 50 10 GHCARN Cc1ccc(C(C)(C)O[C@@H]2CC(=O)Cc3c(O)c4cccc(O)c4c(O)c32)cc1 ZINC000103115409 570720067 /nfs/dbraw/zinc/72/00/67/570720067.db2.gz HWBQGRFPUCBOTB-YFVAEKQCSA-N 0 0 392.451 3.995 50 10 GHCARN CC(=O)Nc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)cc1 ZINC000004470719 570797685 /nfs/dbraw/zinc/79/76/85/570797685.db2.gz OLWSAEFWAJGVKK-MHWRWJLKSA-N 0 0 399.453 3.959 50 10 GHCARN Cc1cc(C(=O)NCc2ccn(-c3ccc(F)cc3)n2)c(C)n1-c1ccccn1 ZINC000135170235 570830663 /nfs/dbraw/zinc/83/06/63/570830663.db2.gz KOYLOOOTANBPJL-UHFFFAOYSA-N 0 0 389.434 3.744 50 10 GHCARN O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc21 ZINC000004719226 570859221 /nfs/dbraw/zinc/85/92/21/570859221.db2.gz ZOFWDZIWSFGHMI-UHFFFAOYSA-N 0 0 397.839 3.916 50 10 GHCARN CN(C)c1ccc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1Br ZINC000001118600 570931410 /nfs/dbraw/zinc/93/14/10/570931410.db2.gz ZKQKYQPYRURSMI-XNTDXEJSSA-N 0 0 389.224 3.999 50 10 GHCARN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc2c(c1)CCCC(=O)N2 ZINC000084613294 571027120 /nfs/dbraw/zinc/02/71/20/571027120.db2.gz ICXVLOSRSOVNQR-UHFFFAOYSA-N 0 0 397.438 3.923 50 10 GHCARN