smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(/C=C2/C(=O)[N-]N(c3cccc(Br)c3)C2=O)cc(Br)c1OC(C)=O ZINC000000666808 551517628 /nfs/dbraw/zinc/51/76/28/551517628.db2.gz RZGMJXIZJGGPLK-NSIKDUERSA-N -1 0 510.138 3.607 50 10 KHCARM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccc(I)cc3)C2=O)cc(Br)c1OC(C)=O ZINC000000666843 551517588 /nfs/dbraw/zinc/51/75/88/551517588.db2.gz AEATZUBZTMYDCX-NVNXTCNLSA-N -1 0 571.165 3.839 50 10 KHCARM CN1C(=O)[N-]C(=O)/C(=C\c2ccc(OCc3ccc(I)cc3)c(Br)c2)C1=O ZINC000000693143 551527721 /nfs/dbraw/zinc/52/77/21/551527721.db2.gz JWNCJDATFAMCHR-RIYZIHGNSA-N -1 0 541.139 3.724 50 10 KHCARM CCOc1ccc(Br)cc1/C=C1\C(=O)[N-]N(c2ccc(I)cc2)C1=O ZINC000000726001 551538447 /nfs/dbraw/zinc/53/84/47/551538447.db2.gz GANWEZAUXOECNY-XNTDXEJSSA-N -1 0 513.129 3.914 50 10 KHCARM CCOc1cccc(N2C(=O)/C(=C/c3cc(I)c(OCC)c(OC)c3)C(=O)[N-]C2=S)c1 ZINC000000852825 551549799 /nfs/dbraw/zinc/54/97/99/551549799.db2.gz IVXPTCUQGHWBNL-CXUHLZMHSA-N -1 0 552.390 3.929 50 10 KHCARM COc1cc(Br)c(/C=C2\C(=O)[N-]N(c3ccc(I)cc3)C2=O)cc1OC ZINC000000993498 551594293 /nfs/dbraw/zinc/59/42/93/551594293.db2.gz ZAVDJNNFNNPXTO-NTUHNPAUSA-N -1 0 529.128 3.532 50 10 KHCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/NN1C(=O)c2cccc3c(Br)ccc(c32)C1=O ZINC000000996299 551594601 /nfs/dbraw/zinc/59/46/01/551594601.db2.gz XEFSEOPFNSXFCZ-MHWRWJLKSA-N -1 0 539.729 3.523 50 10 KHCARM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(Br)c(Br)c1OCc1ccccc1 ZINC000000997822 551595136 /nfs/dbraw/zinc/59/51/36/551595136.db2.gz FMYKNQVRFHAPAM-UHFFFAOYSA-N -1 0 524.165 3.939 50 10 KHCARM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000001083084 551606255 /nfs/dbraw/zinc/60/62/55/551606255.db2.gz UUWLGUNPUZAKHR-UHFFFAOYSA-N -1 0 537.266 3.767 50 10 KHCARM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000001092399 551607272 /nfs/dbraw/zinc/60/72/72/551607272.db2.gz HPSSTVJPWAENTK-KOEQRZSOSA-N -1 0 516.623 3.771 50 10 KHCARM Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(Br)cc2C)C1=O ZINC000001132374 551615993 /nfs/dbraw/zinc/61/59/93/551615993.db2.gz LYAMPKQTFHXUFF-CPNJWEJPSA-N -1 0 500.418 3.734 50 10 KHCARM COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000001196279 551622736 /nfs/dbraw/zinc/62/27/36/551622736.db2.gz AALBOCNXJJBRCW-UHFFFAOYSA-N -1 0 547.132 3.935 50 10 KHCARM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccccc1Cl ZINC000001197234 551622705 /nfs/dbraw/zinc/62/27/05/551622705.db2.gz IKTXXKXVLLGGOF-UHFFFAOYSA-N -1 0 526.714 3.672 50 10 KHCARM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000001198645 551623067 /nfs/dbraw/zinc/62/30/67/551623067.db2.gz QHVWYXJHSYMRJA-UHFFFAOYSA-N -1 0 526.714 3.672 50 10 KHCARM CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OCC)cc3)C2=O)cc1Br ZINC000001198685 1066855184 /nfs/dbraw/zinc/85/51/84/1066855184.db2.gz JFLLTLBEFPONCW-GZTJUZNOSA-N -1 0 533.400 3.621 50 10 KHCARM CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1Br ZINC000001198929 1066854894 /nfs/dbraw/zinc/85/48/94/1066854894.db2.gz YBEYQJLDWCQWLZ-GZTJUZNOSA-N -1 0 501.333 3.620 50 10 KHCARM CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OC)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000001200348 1066855158 /nfs/dbraw/zinc/85/51/58/1066855158.db2.gz NLHUPPDLWUFYEN-OQLLNIDSSA-N -1 0 522.364 3.702 50 10 KHCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OC)c(OC)c3)C2=O)cc1 ZINC000001201496 1066855206 /nfs/dbraw/zinc/85/52/06/1066855206.db2.gz KFHNXNILZVSSQM-OQLLNIDSSA-N -1 0 506.296 3.537 50 10 KHCARM COC(=O)COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000001202626 551623874 /nfs/dbraw/zinc/62/38/74/551623874.db2.gz QZZSUZWKZBQMJO-OQLLNIDSSA-N -1 0 505.346 3.681 50 10 KHCARM CCOc1cccc(N2C(=O)/C(=C/c3cc(I)c(OC)c(OC)c3)C(=O)[N-]C2=S)c1 ZINC000001203469 551623861 /nfs/dbraw/zinc/62/38/61/551623861.db2.gz MYOPJSIIHSUAKD-OVCLIPMQSA-N -1 0 538.363 3.538 50 10 KHCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OC ZINC000001205665 551624389 /nfs/dbraw/zinc/62/43/89/551624389.db2.gz RPILKDRMWKEVEL-NTUHNPAUSA-N -1 0 512.687 3.628 50 10 KHCARM CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br ZINC000001213927 551626052 /nfs/dbraw/zinc/62/60/52/551626052.db2.gz JQJWWDSHZOQCHD-LICLKQGHSA-N -1 0 501.333 3.674 50 10 KHCARM O=C(c1ccccc1)N1CCN(c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2)CC1 ZINC000001278254 551635968 /nfs/dbraw/zinc/63/59/68/551635968.db2.gz KFUYODRTCVNHSJ-HKOYGPOVSA-N -1 0 529.984 3.881 50 10 KHCARM CCOC(=O)c1ccc(Oc2c(=O)c3ccc([O-])c(CN4CCN(CCO)CC4)c3oc2C(F)(F)F)cc1 ZINC000001279827 551636395 /nfs/dbraw/zinc/63/63/95/551636395.db2.gz BZAWXJHUGXNENJ-UHFFFAOYSA-N -1 0 536.503 3.596 50 10 KHCARM O=C([O-])CCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)SC1=S ZINC000001831542 551711437 /nfs/dbraw/zinc/71/14/37/551711437.db2.gz RSXRGDYCYWPQBL-HNENSFHCSA-N -1 0 535.525 3.737 50 10 KHCARM CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2c1O ZINC000001893395 551727168 /nfs/dbraw/zinc/72/71/68/551727168.db2.gz OCWCOMFFTBXSEH-IBGZPJMESA-N -1 0 551.499 3.682 50 10 KHCARM COc1cc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4sc(N)nc4C)cs3)cc2)nc(OC)n1 ZINC000001895806 551727518 /nfs/dbraw/zinc/72/75/18/551727518.db2.gz INMRMZCFGLVDJX-UHFFFAOYSA-N -1 0 505.607 3.509 50 10 KHCARM O=C([O-])CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC1=S ZINC000001899361 551729967 /nfs/dbraw/zinc/72/99/67/551729967.db2.gz RGKYMALBZMHHJV-STZFKDTASA-N -1 0 554.675 3.610 50 10 KHCARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN3C(=O)/C(=C/c4ccccc4)SC3=S)cc2)n1 ZINC000001907795 551733012 /nfs/dbraw/zinc/73/30/12/551733012.db2.gz PTNBBVQLVBOSDT-MOSHPQCFSA-N -1 0 539.664 3.734 50 10 KHCARM COc1ccc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C(=O)[O-])c1OC ZINC000001907897 551732972 /nfs/dbraw/zinc/73/29/72/551732972.db2.gz BNFVCWSHFGSWKJ-ATVHPVEESA-N -1 0 511.581 3.606 50 10 KHCARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002049552 551737721 /nfs/dbraw/zinc/73/77/21/551737721.db2.gz DOCCKRGDBKLDJK-BIWBSIMWSA-N -1 0 571.655 3.913 50 10 KHCARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002049554 551737700 /nfs/dbraw/zinc/73/77/00/551737700.db2.gz DOCCKRGDBKLDJK-ZGOFBEGVSA-N -1 0 571.655 3.913 50 10 KHCARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000002049580 551737902 /nfs/dbraw/zinc/73/79/02/551737902.db2.gz VXGGCCBFYKUIBR-BIWBSIMWSA-N -1 0 571.655 3.913 50 10 KHCARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000002049582 551737934 /nfs/dbraw/zinc/73/79/34/551737934.db2.gz VXGGCCBFYKUIBR-ZGOFBEGVSA-N -1 0 571.655 3.913 50 10 KHCARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000002070405 551746873 /nfs/dbraw/zinc/74/68/73/551746873.db2.gz JDIIUSBKJMCEOS-SJJVXOANSA-N -1 0 557.628 3.823 50 10 KHCARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000002070407 551746896 /nfs/dbraw/zinc/74/68/96/551746896.db2.gz JDIIUSBKJMCEOS-GTWFGUSFSA-N -1 0 557.628 3.823 50 10 KHCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCCOc4cccc(OC)c4)c(OC)c3)C2=O)cc1 ZINC000002149556 551777812 /nfs/dbraw/zinc/77/78/12/551777812.db2.gz XYECHHHBJPLCGI-HZHRSRAPSA-N -1 0 518.522 3.837 50 10 KHCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(CN4C(=O)c5ccccc5C4=O)c3)C2=O)cc1 ZINC000002277669 551805757 /nfs/dbraw/zinc/80/57/57/551805757.db2.gz LEHQPRFGUXRVBZ-HZHRSRAPSA-N -1 0 509.518 3.925 50 10 KHCARM Cc1c(NC(=O)c2cccc([N-]S(=O)(=O)c3cccc4nsnc43)c2)c(=O)n(-c2ccccc2)n1C ZINC000002359187 552102119 /nfs/dbraw/zinc/10/21/19/552102119.db2.gz VMFDHQXTOKDDMS-UHFFFAOYSA-N -1 0 520.596 3.542 50 10 KHCARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)c(N(C)Cc3ccccc3)nc12 ZINC000002508685 552126277 /nfs/dbraw/zinc/12/62/77/552126277.db2.gz IGUNCZKJYARFDY-RGEXLXHISA-N -1 0 508.625 3.705 50 10 KHCARM C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CCS(=O)(=O)[O-])C3=O)ccc2O1 ZINC000002533630 552128107 /nfs/dbraw/zinc/12/81/07/552128107.db2.gz PCLJWEZUOYANNR-MNAFEPAFSA-N -1 0 527.649 3.952 50 10 KHCARM O=C1[N-]C(=O)C(=Cc2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)C(=O)N1 ZINC000002775730 552186691 /nfs/dbraw/zinc/18/66/91/552186691.db2.gz ZCGAHIQVHLJCMS-UHFFFAOYSA-N -1 0 530.150 3.569 50 10 KHCARM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OC ZINC000002854892 552201837 /nfs/dbraw/zinc/20/18/37/552201837.db2.gz QJMQBDLFOQFLSO-OQLLNIDSSA-N -1 0 506.296 3.673 50 10 KHCARM CCOc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCC)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000002873443 1066205768 /nfs/dbraw/zinc/20/57/68/1066205768.db2.gz NVRQPFBIIWTKTD-MHWRWJLKSA-N -1 0 552.390 3.929 50 10 KHCARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000002912124 552214909 /nfs/dbraw/zinc/21/49/09/552214909.db2.gz TYKFDBDENKKCGJ-SJJVXOANSA-N -1 0 557.628 3.823 50 10 KHCARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000002912128 552214885 /nfs/dbraw/zinc/21/48/85/552214885.db2.gz TYKFDBDENKKCGJ-GTWFGUSFSA-N -1 0 557.628 3.823 50 10 KHCARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000002915618 552216723 /nfs/dbraw/zinc/21/67/23/552216723.db2.gz XNCXIVLZBWRCND-RZXXJPOTSA-N -1 0 532.449 3.877 50 10 KHCARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000002915620 552216678 /nfs/dbraw/zinc/21/66/78/552216678.db2.gz XNCXIVLZBWRCND-XQJRBFNUSA-N -1 0 532.449 3.877 50 10 KHCARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000002921135 552220416 /nfs/dbraw/zinc/22/04/16/552220416.db2.gz QQULPSAKTJVJMD-SJJVXOANSA-N -1 0 557.628 3.823 50 10 KHCARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000002921139 552220442 /nfs/dbraw/zinc/22/04/42/552220442.db2.gz QQULPSAKTJVJMD-GTWFGUSFSA-N -1 0 557.628 3.823 50 10 KHCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(OC(=O)c3ccccc3I)cc2)SC1=S ZINC000002932768 552226602 /nfs/dbraw/zinc/22/66/02/552226602.db2.gz RYIHRMGNQOGLPJ-OQLLNIDSSA-N -1 0 525.345 3.796 50 10 KHCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3I)cc2)SC1=S ZINC000002932771 552226871 /nfs/dbraw/zinc/22/68/71/552226871.db2.gz RYIHRMGNQOGLPJ-DHDCSXOGSA-N -1 0 525.345 3.796 50 10 KHCARM O=C(COC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)Nc1ccc(OC(F)(F)F)cc1 ZINC000003240063 552318326 /nfs/dbraw/zinc/31/83/26/552318326.db2.gz IMOFXCPDBALHPS-UHFFFAOYSA-N -1 0 516.475 3.949 50 10 KHCARM Cc1cc(C(=O)COC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003396064 552379908 /nfs/dbraw/zinc/37/99/08/552379908.db2.gz XNOUOLDAPZAJDY-UHFFFAOYSA-N -1 0 528.480 3.678 50 10 KHCARM O=C([O-])CCCNc1cc(N2CCN(C(=O)c3ccco3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000003742059 552413560 /nfs/dbraw/zinc/41/35/60/552413560.db2.gz NNRNOBWREPANOV-UHFFFAOYSA-N -1 0 500.511 3.871 50 10 KHCARM O=C([O-])CCNc1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000003742060 552413504 /nfs/dbraw/zinc/41/35/04/552413504.db2.gz JXLQAGPCGKKGDZ-UHFFFAOYSA-N -1 0 526.549 3.977 50 10 KHCARM COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3C(=O)[O-])C2=O)cc(OC)c1OC ZINC000003865144 552420833 /nfs/dbraw/zinc/42/08/33/552420833.db2.gz TXTKKXROTXGBKC-PDGQHHTCSA-N -1 0 502.570 3.641 50 10 KHCARM COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(C(=O)[O-])cc3)C2=O)cc(OC)c1OC ZINC000003865145 552420841 /nfs/dbraw/zinc/42/08/41/552420841.db2.gz QFFNDHIYOFNZKI-PDGQHHTCSA-N -1 0 502.570 3.641 50 10 KHCARM O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)cc(I)c1O ZINC000003925051 552422513 /nfs/dbraw/zinc/42/25/13/552422513.db2.gz ZKMUOYGGRAXPNM-WUXMJOGZSA-N -1 0 566.520 3.716 50 10 KHCARM O=S(=O)([O-])CCCN1c2ccccc2S/C1=C\c1sc2ccccc2[n+]1CCCS(=O)(=O)[O-] ZINC000004013474 552425998 /nfs/dbraw/zinc/42/59/98/552425998.db2.gz LEHNIODEVBKCSR-UHFFFAOYSA-O -1 0 527.691 3.655 50 10 KHCARM CCOc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004113361 552438701 /nfs/dbraw/zinc/43/87/01/552438701.db2.gz UYIFJLVAJICXIM-CAOOACKPSA-N -1 0 505.486 3.980 50 10 KHCARM COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)C2=O)cc1 ZINC000004417461 552459822 /nfs/dbraw/zinc/45/98/22/552459822.db2.gz WQVQEUVWTZPCAX-LDADJPATSA-N -1 0 546.677 3.792 50 10 KHCARM O=C([O-])CN1C(=O)/C(=C\c2cccc(OC(=O)c3ccccc3I)c2)SC1=S ZINC000004482421 552461958 /nfs/dbraw/zinc/46/19/58/552461958.db2.gz GIFHAIIHAQEGSN-OQLLNIDSSA-N -1 0 525.345 3.796 50 10 KHCARM CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2c1O ZINC000004642553 552470377 /nfs/dbraw/zinc/47/03/77/552470377.db2.gz OCWCOMFFTBXSEH-LJQANCHMSA-N -1 0 551.499 3.682 50 10 KHCARM COc1ccc2c(c1)N(CCCS(=O)(=O)[O-])/C(=C/c1sc3ccc(OC)cc3[n+]1CCCS(=O)(=O)[O-])S2 ZINC000006162861 552555838 /nfs/dbraw/zinc/55/58/38/552555838.db2.gz KTMSISMITPUNGF-UHFFFAOYSA-O -1 0 587.743 3.673 50 10 KHCARM COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C3\SC(=S)N(CCCCCC(=O)[O-])C3=O)CC2)cc1 ZINC000006296253 552578777 /nfs/dbraw/zinc/57/87/77/552578777.db2.gz FOBWUPJWOLPFMK-NMWGTECJSA-N -1 0 593.731 3.876 50 10 KHCARM CCOc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCC)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000006508286 552596634 /nfs/dbraw/zinc/59/66/34/552596634.db2.gz NVRQPFBIIWTKTD-YBEGLDIGSA-N -1 0 552.390 3.929 50 10 KHCARM CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000006508324 552596912 /nfs/dbraw/zinc/59/69/12/552596912.db2.gz UETTXSCAIAEQPT-GDNBJRDFSA-N -1 0 508.337 3.530 50 10 KHCARM CCOc1cccc(N2C(=O)/C(=C\c3cc(I)c(OC)c(OC)c3)C(=O)[N-]C2=S)c1 ZINC000006573620 552601014 /nfs/dbraw/zinc/60/10/14/552601014.db2.gz MYOPJSIIHSUAKD-NVNXTCNLSA-N -1 0 538.363 3.538 50 10 KHCARM CCOc1cccc(N2C(=O)/C(=C\c3cc(I)c(OCC)c(OC)c3)C(=O)[N-]C2=S)c1 ZINC000006573621 552600989 /nfs/dbraw/zinc/60/09/89/552600989.db2.gz IVXPTCUQGHWBNL-SXGWCWSVSA-N -1 0 552.390 3.929 50 10 KHCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OC)c(OC)c3)C2=O)cc1 ZINC000006574108 552600985 /nfs/dbraw/zinc/60/09/85/552600985.db2.gz KFHNXNILZVSSQM-DHDCSXOGSA-N -1 0 506.296 3.537 50 10 KHCARM CCc1ccc(N2C(=O)/C(=C\c3cc(I)c(OC)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000006574109 552600958 /nfs/dbraw/zinc/60/09/58/552600958.db2.gz NLHUPPDLWUFYEN-DHDCSXOGSA-N -1 0 522.364 3.702 50 10 KHCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc(Br)c1OC ZINC000006906085 552977673 /nfs/dbraw/zinc/97/76/73/552977673.db2.gz BKDIGYAZIWEDSS-AWNIVKPZSA-N -1 0 510.138 3.895 50 10 KHCARM O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(I)cc(I)c1O ZINC000008384588 552989667 /nfs/dbraw/zinc/98/96/67/552989667.db2.gz RSCMRNLZYIRLPG-LFYBBSHMSA-N -1 0 566.520 3.716 50 10 KHCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCCOc4cccc(OC)c4)c(OC)c3)C2=O)cc1 ZINC000008407705 553008772 /nfs/dbraw/zinc/00/87/72/553008772.db2.gz XYECHHHBJPLCGI-HAHDFKILSA-N -1 0 518.522 3.837 50 10 KHCARM COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000008430102 553020820 /nfs/dbraw/zinc/02/08/20/553020820.db2.gz DDWPNRRDUCYGNH-HKWRFOASSA-N -1 0 520.567 3.692 50 10 KHCARM COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000008430604 553022046 /nfs/dbraw/zinc/02/20/46/553022046.db2.gz JGTTXDLZURSXLC-QNGOZBTKSA-N -1 0 520.567 3.692 50 10 KHCARM CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=c1/s/c(=C2\N(C)c3ccccc3C2(C)C)c(=O)n1-c1ccccc1 ZINC000008435028 553029587 /nfs/dbraw/zinc/02/95/87/553029587.db2.gz GDQMKBMLHARBIM-HFBHLYPQSA-N -1 0 550.640 3.706 50 10 KHCARM NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3cc(Br)c([O-])c(Br)c3)C2=O)cc1 ZINC000008439072 553035446 /nfs/dbraw/zinc/03/54/46/553035446.db2.gz YBLIYUZXBZZZIY-WZUFQYTHSA-N -1 0 569.153 3.913 50 10 KHCARM CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)cc1OC ZINC000008443676 553047526 /nfs/dbraw/zinc/04/75/26/553047526.db2.gz GRXLQRADOREFQU-MFOYZWKCSA-N -1 0 517.332 3.904 50 10 KHCARM CCOc1cc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc(I)c1OCC(=O)[O-] ZINC000008443777 553048041 /nfs/dbraw/zinc/04/80/41/553048041.db2.gz KFDWUUAFMGLWFF-PXNMLYILSA-N -1 0 551.293 3.868 50 10 KHCARM CCOC(=O)COc1c(I)cc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc1OC ZINC000008444229 553049652 /nfs/dbraw/zinc/04/96/52/553049652.db2.gz AGICJWCUHXIDCK-IUXPMGMMSA-N -1 0 564.332 3.746 50 10 KHCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC)C2=O)c1 ZINC000008445708 553054939 /nfs/dbraw/zinc/05/49/39/553054939.db2.gz IENJYTWWSBARKS-AUWJEWJLSA-N -1 0 510.138 3.895 50 10 KHCARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000008451485 553061255 /nfs/dbraw/zinc/06/12/55/553061255.db2.gz NRNAUNILJRBQMG-UPWSPCOFSA-N -1 0 601.681 3.921 50 10 KHCARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000008451490 553061282 /nfs/dbraw/zinc/06/12/82/553061282.db2.gz NRNAUNILJRBQMG-ZJTZAHLKSA-N -1 0 601.681 3.921 50 10 KHCARM COc1cc(S(=O)(=O)Nc2ccccc2)ccc1NC=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000008456239 553074429 /nfs/dbraw/zinc/07/44/29/553074429.db2.gz AYXXBVBPZIVJQO-RGEXLXHISA-N -1 0 526.958 3.728 50 10 KHCARM CN(C(=O)COC(=O)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1O)C1CCCCC1 ZINC000008686709 553115589 /nfs/dbraw/zinc/11/55/89/553115589.db2.gz QJEKLQVOYMAMAE-UHFFFAOYSA-N -1 0 525.967 3.703 50 10 aggregator KHCARM COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1OC ZINC000008819458 553153995 /nfs/dbraw/zinc/15/39/95/553153995.db2.gz JJBCSQYDBSTSFT-ODLFYWEKSA-N -1 0 503.558 3.938 50 10 KHCARM COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3[O-])C2=O)cc1OC ZINC000008819459 553154059 /nfs/dbraw/zinc/15/40/59/553154059.db2.gz RFLHVCSHUDRWND-ODLFYWEKSA-N -1 0 503.558 3.938 50 10 KHCARM COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)c(C(=O)[O-])c3)C2=O)cc1OC ZINC000008819513 553154245 /nfs/dbraw/zinc/15/42/45/553154245.db2.gz NZDGSZATJJUREI-ODLFYWEKSA-N -1 0 502.570 3.728 50 10 KHCARM COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1 ZINC000008819543 553154214 /nfs/dbraw/zinc/15/42/14/553154214.db2.gz XSQDZLRMNUGCAU-WQRHYEAKSA-N -1 0 501.542 3.707 50 10 KHCARM COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3[O-])C2=O)cc1 ZINC000008819544 553154229 /nfs/dbraw/zinc/15/42/29/553154229.db2.gz KHVBSGMWEHBWND-WQRHYEAKSA-N -1 0 501.542 3.707 50 10 KHCARM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c1 ZINC000008859960 553169945 /nfs/dbraw/zinc/16/99/45/553169945.db2.gz SSYUSYIOTGCWMV-KRWDZBQOSA-N -1 0 504.439 3.576 50 10 KHCARM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c1 ZINC000008859961 553169784 /nfs/dbraw/zinc/16/97/84/553169784.db2.gz SSYUSYIOTGCWMV-QGZVFWFLSA-N -1 0 504.439 3.576 50 10 KHCARM CC1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)CC1 ZINC000008872569 553173509 /nfs/dbraw/zinc/17/35/09/553173509.db2.gz YNGQUWJIHRNQNF-SDXDJHTJSA-N -1 0 500.646 3.777 50 10 KHCARM O=C([O-])CCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(c3cccc(Cl)c3)CC2)SC1=S ZINC000008872590 553173778 /nfs/dbraw/zinc/17/37/78/553173778.db2.gz UBXAGPLBVVLGOW-SILNSSARSA-N -1 0 570.096 3.741 50 10 KHCARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)c(NCCc3ccccc3)nc12 ZINC000008915539 553186252 /nfs/dbraw/zinc/18/62/52/553186252.db2.gz MLCZHACZMUUMPG-CYVLTUHYSA-N -1 0 508.625 3.724 50 10 KHCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C2=O)cc1 ZINC000008997577 553197930 /nfs/dbraw/zinc/19/79/30/553197930.db2.gz KLYTTZWDDHQWJC-KOEQRZSOSA-N -1 0 500.555 3.810 50 10 KHCARM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1O ZINC000009056445 553204455 /nfs/dbraw/zinc/20/44/55/553204455.db2.gz RSGUWRVJKVTLGA-NTUHNPAUSA-N -1 0 510.138 3.982 50 10 KHCARM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc(Br)c1O ZINC000009056469 553204473 /nfs/dbraw/zinc/20/44/73/553204473.db2.gz MITOZTUXZGYXEY-AWNIVKPZSA-N -1 0 510.138 3.982 50 10 KHCARM COc1ccc(OCCCOc2ccc(/C=C3/C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)cc2OC)cc1 ZINC000009075885 553207521 /nfs/dbraw/zinc/20/75/21/553207521.db2.gz WMBGVIMUXMXWLC-JCMHNJIXSA-N -1 0 506.511 3.807 50 10 KHCARM COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000009108639 553209627 /nfs/dbraw/zinc/20/96/27/553209627.db2.gz QSDVZERIXWMOOY-HYARGMPZSA-N -1 0 511.559 3.631 50 10 KHCARM O=C1[N-]C(=O)N(c2ccc(I)cc2)C(=O)C1=CNN1CCCC[C@H]1c1cccnc1 ZINC000009108904 553209666 /nfs/dbraw/zinc/20/96/66/553209666.db2.gz NTIIWAQYKGZSTR-KJCUYJGMSA-N -1 0 517.327 3.725 50 10 KHCARM CCN(CCc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)[nH]c2ccccc21)C(=S)NC ZINC000009129212 553213213 /nfs/dbraw/zinc/21/32/13/553213213.db2.gz XPOLBVGQZOOVLX-XMHGGMMESA-N -1 0 510.019 3.856 50 10 KHCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000009183591 553216839 /nfs/dbraw/zinc/21/68/39/553216839.db2.gz WQJZQQDXYPTPPK-JCMHNJIXSA-N -1 0 515.522 3.908 50 10 KHCARM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000009259793 553228018 /nfs/dbraw/zinc/22/80/18/553228018.db2.gz BRZGLTYGTPWQLE-SRZZPIQSSA-N -1 0 510.462 3.993 50 10 KHCARM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000009259801 553228004 /nfs/dbraw/zinc/22/80/04/553228004.db2.gz DMRBYSULSNCHDL-SRZZPIQSSA-N -1 0 510.462 3.993 50 10 KHCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)SC2=S)c1 ZINC000009264679 553229276 /nfs/dbraw/zinc/22/92/76/553229276.db2.gz KQWZFVWUJFYJQY-BKUYFWCQSA-N -1 0 507.593 3.604 50 10 KHCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(N2CCOCC2)c(Cl)c1 ZINC000009308988 553237895 /nfs/dbraw/zinc/23/78/95/553237895.db2.gz XUURBTCDPDHEPC-FOWTUZBSSA-N -1 0 505.756 3.518 50 10 KHCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)cc1 ZINC000009310207 553238664 /nfs/dbraw/zinc/23/86/64/553238664.db2.gz HMMFZAPNDXYYLM-QGOAFFKASA-N -1 0 504.328 3.716 50 10 KHCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OC ZINC000009310895 553239073 /nfs/dbraw/zinc/23/90/73/553239073.db2.gz OJGLXGFAPBTVKA-OVCLIPMQSA-N -1 0 506.296 3.592 50 10 KHCARM CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC ZINC000009310916 553239265 /nfs/dbraw/zinc/23/92/65/553239265.db2.gz UKMCAULVTYTNOQ-SXGWCWSVSA-N -1 0 520.323 3.982 50 10 KHCARM CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc1Br ZINC000009311376 553239498 /nfs/dbraw/zinc/23/94/98/553239498.db2.gz PTDZIQRXTMGTDL-GZTJUZNOSA-N -1 0 517.401 3.785 50 10 KHCARM CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000009311437 553239453 /nfs/dbraw/zinc/23/94/53/553239453.db2.gz YDLSXMOTGOFNMS-ZSOIEALJSA-N -1 0 510.259 3.504 50 10 KHCARM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1O ZINC000009322182 553241515 /nfs/dbraw/zinc/24/15/15/553241515.db2.gz SAKWPXAAZYYANW-DHDCSXOGSA-N -1 0 506.296 3.624 50 10 KHCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)cc1 ZINC000009327376 553241712 /nfs/dbraw/zinc/24/17/12/553241712.db2.gz WTPRZTRYVWNMLL-IWIPYMOSSA-N -1 0 515.522 3.908 50 10 KHCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000009331052 553242696 /nfs/dbraw/zinc/24/26/96/553242696.db2.gz QSDVZERIXWMOOY-HMAPJEAMSA-N -1 0 511.559 3.631 50 10 KHCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000009331250 553242663 /nfs/dbraw/zinc/24/26/63/553242663.db2.gz IMDCCYCMKMXIMB-HMAPJEAMSA-N -1 0 511.559 3.631 50 10 KHCARM COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000009353364 553245548 /nfs/dbraw/zinc/24/55/48/553245548.db2.gz HPSSTVJPWAENTK-UQQQWYQISA-N -1 0 516.623 3.771 50 10 KHCARM CCOc1cc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000009434797 553263976 /nfs/dbraw/zinc/26/39/76/553263976.db2.gz TVWBOFZZNHQZMD-UNOMPAQXSA-N -1 0 504.561 3.918 50 10 KHCARM CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCCCC(=O)[O-])C1=O ZINC000009461019 553267168 /nfs/dbraw/zinc/26/71/68/553267168.db2.gz AFPITTKUJVDZFQ-SDXDJHTJSA-N -1 0 518.661 3.768 50 10 KHCARM COc1cc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4ccc(O)c(O)c4)cs3)cc2)nc(OC)n1 ZINC000009553698 553278502 /nfs/dbraw/zinc/27/85/02/553278502.db2.gz SPULGBDNZKIOEX-UHFFFAOYSA-N -1 0 501.546 3.573 50 10 KHCARM COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCCOc1ccc(C(C)(C)C)cc1 ZINC000009659406 553292935 /nfs/dbraw/zinc/29/29/35/553292935.db2.gz CYBDYYAQWYUADC-UHFFFAOYSA-N -1 0 517.376 3.962 50 10 KHCARM CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O ZINC000011852726 553345501 /nfs/dbraw/zinc/34/55/01/553345501.db2.gz YZAUWVNWSVWUBX-MRXNPFEDSA-N -1 0 524.857 3.921 50 10 KHCARM CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O ZINC000011852727 553345553 /nfs/dbraw/zinc/34/55/53/553345553.db2.gz YZAUWVNWSVWUBX-INIZCTEOSA-N -1 0 524.857 3.921 50 10 KHCARM COc1ccc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C(=O)[O-])c1OC ZINC000012032198 553350249 /nfs/dbraw/zinc/35/02/49/553350249.db2.gz BNFVCWSHFGSWKJ-SFQUDFHCSA-N -1 0 511.581 3.606 50 10 KHCARM COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)cc1 ZINC000012274914 553356155 /nfs/dbraw/zinc/35/61/55/553356155.db2.gz WHBGBEVNCRHNNL-UYRXBGFRSA-N -1 0 501.611 3.637 50 10 KHCARM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCCOc1ccc(C)c(C)c1 ZINC000012285028 553356291 /nfs/dbraw/zinc/35/62/91/553356291.db2.gz JZYNRIJOCYOYSY-UHFFFAOYSA-N -1 0 503.349 3.672 50 10 KHCARM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c([N+](=O)[O-])cc1OC ZINC000012363063 553359464 /nfs/dbraw/zinc/35/94/64/553359464.db2.gz GDXLRKUWQDZVPB-QPEQYQDCSA-N -1 0 506.334 3.514 50 10 KHCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(CCC3=CCCCC3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000012436420 553366216 /nfs/dbraw/zinc/36/62/16/553366216.db2.gz KYUIGVWXFNFENU-KQWNVCNZSA-N -1 0 513.550 3.844 50 10 KHCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)c1 ZINC000012436424 553366267 /nfs/dbraw/zinc/36/62/67/553366267.db2.gz NOXSTAGWPKBMMM-OYKKKHCWSA-N -1 0 515.522 3.908 50 10 KHCARM O=C1[N-]C(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C(=O)C1=CNc1ccc(I)cc1 ZINC000012957889 553430175 /nfs/dbraw/zinc/43/01/75/553430175.db2.gz IGKSNJSQYUOHEO-UKTHLTGXSA-N -1 0 579.704 3.845 50 10 KHCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)cc1 ZINC000013551082 553470443 /nfs/dbraw/zinc/47/04/43/553470443.db2.gz WTPRZTRYVWNMLL-BUVRLJJBSA-N -1 0 515.522 3.908 50 10 KHCARM CCOc1ccc(Br)cc1/C=C1/C(=O)[N-]N(c2ccc(I)cc2)C1=O ZINC000013562086 553471873 /nfs/dbraw/zinc/47/18/73/553471873.db2.gz GANWEZAUXOECNY-GDNBJRDFSA-N -1 0 513.129 3.914 50 10 KHCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ncc(Br)cc1Br ZINC000013615007 553477964 /nfs/dbraw/zinc/47/79/64/553477964.db2.gz HCMNKGLDUJGNET-XFFZJAGNSA-N -1 0 500.534 3.839 50 10 KHCARM COc1cccc(OCCCOc2ccc(/C=C3/C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)cc2OC)c1 ZINC000013661445 553480904 /nfs/dbraw/zinc/48/09/04/553480904.db2.gz GSLSBGJMLKYXJO-HMAPJEAMSA-N -1 0 506.511 3.807 50 10 KHCARM Cc1c(/C=C2/C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)c(=O)oc2c1cc1c3c2CCCN3CCC1 ZINC000013689676 553485643 /nfs/dbraw/zinc/48/56/43/553485643.db2.gz XDYLHJHSGUUSHU-HAHDFKILSA-N -1 0 515.541 3.644 50 10 KHCARM COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)c1 ZINC000013749624 553487709 /nfs/dbraw/zinc/48/77/09/553487709.db2.gz KXUDBNOVNCADLV-UYRXBGFRSA-N -1 0 501.611 3.637 50 10 KHCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000013765402 553488893 /nfs/dbraw/zinc/48/88/93/553488893.db2.gz YZNZWIXNWIJEKM-STZFKDTASA-N -1 0 511.559 3.631 50 10 KHCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(CN4C(=O)c5ccccc5C4=O)c3)C2=O)cc1 ZINC000013765648 553488898 /nfs/dbraw/zinc/48/88/98/553488898.db2.gz LEHQPRFGUXRVBZ-HAHDFKILSA-N -1 0 509.518 3.720 50 10 KHCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(CCc3ccccc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000013773766 553489597 /nfs/dbraw/zinc/48/95/97/553489597.db2.gz UQIGRWYIHFKUNN-UQQQWYQISA-N -1 0 513.550 3.937 50 10 KHCARM O=C(Cn1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21)Nc1ccccc1 ZINC000013785729 553490650 /nfs/dbraw/zinc/49/06/50/553490650.db2.gz SILCIYAAUKQBQS-MTJSOVHGSA-N -1 0 508.490 3.880 50 10 KHCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000013810556 553492366 /nfs/dbraw/zinc/49/23/66/553492366.db2.gz UVRRBNDXALHGSM-UCQKPKSFSA-N -1 0 514.538 3.530 50 10 KHCARM CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc1OC ZINC000013914080 553495462 /nfs/dbraw/zinc/49/54/62/553495462.db2.gz PTLFCOUVJWWLFM-MFOYZWKCSA-N -1 0 517.332 3.904 50 10 KHCARM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000013940994 553496528 /nfs/dbraw/zinc/49/65/28/553496528.db2.gz SNCZSUBUYVYJMZ-KGENOOAVSA-N -1 0 503.486 3.827 50 10 KHCARM CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc1OC ZINC000013955245 553497475 /nfs/dbraw/zinc/49/74/75/553497475.db2.gz RVAZMIXTADPZIO-DHDCSXOGSA-N -1 0 513.018 3.898 50 10 KHCARM CCOC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1Br ZINC000014010685 553499258 /nfs/dbraw/zinc/49/92/58/553499258.db2.gz YBEYQJLDWCQWLZ-BOPFTXTBSA-N -1 0 501.333 3.620 50 10 KHCARM CCOC(=O)COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000014010732 553499276 /nfs/dbraw/zinc/49/92/76/553499276.db2.gz IWEMMRCBEZZIPO-MHWRWJLKSA-N -1 0 507.724 3.711 50 10 KHCARM CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC ZINC000014011196 553499264 /nfs/dbraw/zinc/49/92/64/553499264.db2.gz UKMCAULVTYTNOQ-CXUHLZMHSA-N -1 0 520.323 3.982 50 10 KHCARM O=C([O-])CCCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S ZINC000015230912 553529935 /nfs/dbraw/zinc/52/99/35/553529935.db2.gz XVEBQAOFKALSQI-FCQUAONHSA-N -1 0 523.636 3.566 50 10 KHCARM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(O)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000015768871 553536088 /nfs/dbraw/zinc/53/60/88/553536088.db2.gz WNLZCMBMEDRNHQ-ONNFQVAWSA-N -1 0 511.712 3.500 50 10 KHCARM COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(C(=O)[O-])cc3)C2=O)cc(OC)c1OC ZINC000015885229 553540066 /nfs/dbraw/zinc/54/00/66/553540066.db2.gz QFFNDHIYOFNZKI-LDADJPATSA-N -1 0 502.570 3.641 50 10 KHCARM COc1ccc(N2CCN(C(=O)CCCCCn3c(=O)c4cc5c(cc4[n-]c3=S)OCO5)CC2)cc1 ZINC000015936780 553543073 /nfs/dbraw/zinc/54/30/73/553543073.db2.gz QPAMIRIOUJCVGZ-UHFFFAOYSA-N -1 0 510.616 3.706 50 10 KHCARM COc1cc(/C=C2\C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1O ZINC000016671569 1066858241 /nfs/dbraw/zinc/85/82/41/1066858241.db2.gz YARLZODWHLBFGN-ONNFQVAWSA-N -1 0 505.095 3.774 50 10 KHCARM O=C([O-])CCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)SC1=S ZINC000016730649 553576705 /nfs/dbraw/zinc/57/67/05/553576705.db2.gz JLNRNDPZNJUALJ-VXPUYCOJSA-N -1 0 516.000 3.762 50 10 KHCARM O=C([O-])CCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S ZINC000016730768 553576726 /nfs/dbraw/zinc/57/67/26/553576726.db2.gz MWRPMLGZARQCLL-VXPUYCOJSA-N -1 0 516.000 3.762 50 10 KHCARM Cc1cccc(C)c1NC(=O)CN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)[O-])C2=O)c2ccccc21 ZINC000016731974 553577538 /nfs/dbraw/zinc/57/75/38/553577538.db2.gz FVZYABNJRFWIDC-XDOYNYLZSA-N -1 0 509.609 3.725 50 10 KHCARM Cc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CCCC(=O)[O-])C3=O)c3ccccc32)c(C)c1 ZINC000016731977 553577560 /nfs/dbraw/zinc/57/75/60/553577560.db2.gz AZKZKZXYJNYZAP-DQRAZIAOSA-N -1 0 509.609 3.725 50 10 KHCARM CCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000016742492 553580423 /nfs/dbraw/zinc/58/04/23/553580423.db2.gz PZRGOYJOWPTFGO-XDHOZWIPSA-N -1 0 513.622 3.619 50 10 KHCARM O=C([O-])CCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S ZINC000016805361 553582887 /nfs/dbraw/zinc/58/28/87/553582887.db2.gz LTKGPRUPJDKBKH-VXPUYCOJSA-N -1 0 516.000 3.762 50 10 KHCARM COc1ccc(N2CCN(C(=O)c3ccc(Cn4c(=O)c5cc(N6CCOCC6)ccc5[n-]c4=S)cc3)CC2)cc1 ZINC000017337601 553593701 /nfs/dbraw/zinc/59/37/01/553593701.db2.gz WWJXIRHHDMTYSC-UHFFFAOYSA-N -1 0 571.703 3.915 50 10 KHCARM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc(I)c1OCC ZINC000018218104 553610746 /nfs/dbraw/zinc/61/07/46/553610746.db2.gz WPLLXIISCOKKPO-XNTDXEJSSA-N -1 0 512.344 3.883 50 10 KHCARM COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCS(=O)(=O)[O-])C2=O)cc1 ZINC000019912604 553633468 /nfs/dbraw/zinc/63/34/68/553633468.db2.gz WHBGBEVNCRHNNL-CPNJWEJPSA-N -1 0 501.611 3.637 50 10 KHCARM CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000020030305 553664121 /nfs/dbraw/zinc/66/41/21/553664121.db2.gz PLOVPOMCLXJNQK-UHFFFAOYSA-N -1 0 505.346 3.880 50 10 KHCARM CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(C)C)oc2c(CN2CCN(CCO)CC2)c1[O-] ZINC000020170702 553602039 /nfs/dbraw/zinc/60/20/39/553602039.db2.gz UAQLMXCPROMYSW-UHFFFAOYSA-N -1 0 504.631 3.848 50 10 KHCARM CCOC(=O)c1oc2c(ccc([O-])c2CN2CCN(C)CC2)c(=O)c1-c1ccc(Br)cc1 ZINC000020170838 553601917 /nfs/dbraw/zinc/60/19/17/553601917.db2.gz QXAKUNVCWTUYJV-UHFFFAOYSA-N -1 0 501.377 3.852 50 10 KHCARM C[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1 ZINC000020568988 553674210 /nfs/dbraw/zinc/67/42/10/553674210.db2.gz PKHFUZHESBFWJW-CQSZACIVSA-N -1 0 502.549 3.693 50 10 KHCARM C[C@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1 ZINC000020568990 553674199 /nfs/dbraw/zinc/67/41/99/553674199.db2.gz PKHFUZHESBFWJW-AWEZNQCLSA-N -1 0 502.549 3.693 50 10 KHCARM COc1ccc(N2CCN(C(=O)CCCn3c(=O)c4cc(Br)ccc4[n-]c3=S)CC2)cc1 ZINC000020644195 553684078 /nfs/dbraw/zinc/68/40/78/553684078.db2.gz FYOQTFMOWJJJIY-UHFFFAOYSA-N -1 0 517.449 3.959 50 10 KHCARM O=S(=O)([O-])CCCN1c2ccccc2C=C/C1=C\c1ccc2ccccc2[n+]1CCCS(=O)(=O)[O-] ZINC000020806145 553698952 /nfs/dbraw/zinc/69/89/52/553698952.db2.gz JTUISGRNICJHKG-UHFFFAOYSA-O -1 0 515.633 3.557 50 10 KHCARM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1O ZINC000022130575 1066192185 /nfs/dbraw/zinc/19/21/85/1066192185.db2.gz XBMGNONNVNUMGE-RIYZIHGNSA-N -1 0 508.337 3.535 50 10 KHCARM CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000022135257 1066193025 /nfs/dbraw/zinc/19/30/25/1066193025.db2.gz UETTXSCAIAEQPT-XNTDXEJSSA-N -1 0 508.337 3.530 50 10 KHCARM COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccc3C(=O)[O-])C2=O)cc(OC)c1OC ZINC000022171159 553727366 /nfs/dbraw/zinc/72/73/66/553727366.db2.gz TXTKKXROTXGBKC-LDADJPATSA-N -1 0 502.570 3.641 50 10 KHCARM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1O ZINC000022184933 553727439 /nfs/dbraw/zinc/72/74/39/553727439.db2.gz SFKVWKAAWRCTTB-OVCLIPMQSA-N -1 0 506.296 3.679 50 10 KHCARM CCOC(=O)c1oc2c(cc(CC)c([O-])c2CN2CCN(CCO)CC2)c(=O)c1-c1nc2ccccc2s1 ZINC000022854535 553761916 /nfs/dbraw/zinc/76/19/16/553761916.db2.gz IRKPCWCTALNLAP-UHFFFAOYSA-N -1 0 537.638 3.624 50 10 KHCARM COc1ccc(N2CCN([C@H](c3sc4nc(C)nn4c3[O-])c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000023158045 553771312 /nfs/dbraw/zinc/77/13/12/553771312.db2.gz WZXDGHSTUWRZRO-QFIPXVFZSA-N -1 0 525.631 3.751 50 10 KHCARM COc1ccc(N2CCN([C@@H](c3sc4nc(C)nn4c3[O-])c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000023158048 553771298 /nfs/dbraw/zinc/77/12/98/553771298.db2.gz WZXDGHSTUWRZRO-JOCHJYFZSA-N -1 0 525.631 3.751 50 10 KHCARM Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(CC(=O)[O-])C3=O)c3cc(Br)ccc32)cc1 ZINC000025581056 553811423 /nfs/dbraw/zinc/81/14/23/553811423.db2.gz LHJZZJJHJSVKHO-ZCXUNETKSA-N -1 0 503.399 3.960 50 10 KHCARM CCC(=O)N[C@@H](Oc1ccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1)C(Cl)(Cl)Cl ZINC000026967132 553822902 /nfs/dbraw/zinc/82/29/02/553822902.db2.gz FBKCZIRZUACWRV-CKDIWJPDSA-N -1 0 511.836 3.964 50 10 KHCARM CCC(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1)C(Cl)(Cl)Cl ZINC000026967141 553822888 /nfs/dbraw/zinc/82/28/88/553822888.db2.gz FBKCZIRZUACWRV-HMWXGYMHSA-N -1 0 511.836 3.964 50 10 KHCARM O=C([O-])CCN1C(=O)/C(=C/[C@@H]2C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S ZINC000027016873 553823113 /nfs/dbraw/zinc/82/31/13/553823113.db2.gz IYBLIKVKNQMLRQ-GYXHFJGISA-N -1 0 516.000 3.628 50 10 KHCARM CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000027531976 553831969 /nfs/dbraw/zinc/83/19/69/553831969.db2.gz AKWXTKDWDBTREK-ZDLGFXPLSA-N -1 0 517.376 3.868 50 10 KHCARM NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)cc1 ZINC000027570058 553834811 /nfs/dbraw/zinc/83/48/11/553834811.db2.gz OHBSBPMMVLLVCD-BOPFTXTBSA-N -1 0 505.430 3.641 50 10 KHCARM CCOc1cccc(N2C(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000029747926 553849230 /nfs/dbraw/zinc/84/92/30/553849230.db2.gz KCXPKYVSLBXVMH-HYARGMPZSA-N -1 0 518.595 3.570 50 10 KHCARM COc1ccc(N2C(=O)C(=Cc3cc(I)c(O)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000033039580 553893020 /nfs/dbraw/zinc/89/30/20/553893020.db2.gz MBGAQWDWXUFVQW-NTUHNPAUSA-N -1 0 510.309 3.686 50 10 KHCARM COc1cc(/C=C2\C(=O)[N-]N(c3cccc(Br)c3)C2=O)cc(Br)c1OC(C)=O ZINC000033333427 553921502 /nfs/dbraw/zinc/92/15/02/553921502.db2.gz RZGMJXIZJGGPLK-MKMNVTDBSA-N -1 0 510.138 3.607 50 10 KHCARM COc1ccc(N2CCN(C(=O)CCCCCn3c(=O)c4cc(N5CCOCC5)ccc4[n-]c3=S)CC2)cc1 ZINC000033357900 553951667 /nfs/dbraw/zinc/95/16/67/553951667.db2.gz MQDZRZRAAGVCGQ-UHFFFAOYSA-N -1 0 551.713 3.813 50 10 KHCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)ccc1Oc1nc2ccccc2n2nnnc12 ZINC000039370705 554279052 /nfs/dbraw/zinc/27/90/52/554279052.db2.gz LXYXLOKZEJUIGZ-CPNJWEJPSA-N -1 0 507.510 3.552 50 10 KHCARM O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)SC(=S)N1CCS(=O)(=O)[O-] ZINC000049670025 554324482 /nfs/dbraw/zinc/32/44/82/554324482.db2.gz CULPOYNTOOOYIX-QJOMJCCJSA-N -1 0 618.784 3.803 50 10 KHCARM C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CCS(=O)(=O)[O-])C3=O)ccc2O1 ZINC000070622137 553594438 /nfs/dbraw/zinc/59/44/38/553594438.db2.gz PCLJWEZUOYANNR-PJMHOZITSA-N -1 0 527.649 3.952 50 10 KHCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(CCN(C)C(=O)c4ccccc4)cc4c(c3OC)OCO4)C2=O)cc1 ZINC000070672053 553601485 /nfs/dbraw/zinc/60/14/85/553601485.db2.gz ZYTFOSBCARTDRS-ULJHMMPZSA-N -1 0 571.586 3.804 50 10 biogenic KHCARM COc1c2c(cc(CCN(C)C(=O)c3ccccc3)c1/C=C1/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C1=O)OCO2 ZINC000070672182 553601899 /nfs/dbraw/zinc/60/18/99/553601899.db2.gz OARHUYCKOKETKI-JCMHNJIXSA-N -1 0 545.523 3.544 50 10 biogenic KHCARM COc1c2c(cc(CCN(C)C(=O)c3ccccc3)c1/C=C1/C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C1=O)OCO2 ZINC000070672201 553601787 /nfs/dbraw/zinc/60/17/87/553601787.db2.gz VVTLLWDLUBWXFI-HAHDFKILSA-N -1 0 559.550 3.540 50 10 biogenic KHCARM COc1c2c(cc(CCN(C)C(=O)c3ccccc3)c1/C=C1/C(=O)[N-]C(=O)N(c3ccccc3C)C1=O)OCO2 ZINC000070672230 553601887 /nfs/dbraw/zinc/60/18/87/553601887.db2.gz DAWPPBVMZGJLEN-JWGURIENSA-N -1 0 541.560 3.713 50 10 biogenic KHCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(CCN(C)C(=O)c4ccccc4)cc4c(c3OC)OCO4)C2=O)cc1 ZINC000070672233 553601862 /nfs/dbraw/zinc/60/18/62/553601862.db2.gz YOKIOQFYIOXONB-ULJHMMPZSA-N -1 0 555.587 3.967 50 10 biogenic KHCARM COc1c2c(cc(CCN(C)C(=O)c3ccccc3)c1/C=C1/C(=O)[N-]C(=O)N(C3CCCCC3)C1=O)OCO2 ZINC000070680861 553604646 /nfs/dbraw/zinc/60/46/46/553604646.db2.gz NSJRFIRRJUPOHH-JWGURIENSA-N -1 0 533.581 3.533 50 10 biogenic KHCARM COc1c2c(cc(CCN(C)C(=O)c3ccccc3)c1/C=C1/C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C1=O)OCO2 ZINC000070686791 553605655 /nfs/dbraw/zinc/60/56/55/553605655.db2.gz WFPXCOGZJHXMJY-ULJHMMPZSA-N -1 0 573.577 3.582 50 10 biogenic KHCARM CCCOC(=O)c1ccc(Oc2c(=O)c3ccc([O-])c(CN4CCN(CCO)CC4)c3oc2C(F)(F)F)cc1 ZINC000071386322 553635692 /nfs/dbraw/zinc/63/56/92/553635692.db2.gz JDBIMDSOVANQGK-UHFFFAOYSA-N -1 0 550.530 3.986 50 10 KHCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(CCC3=CCCCC3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000083319927 553677024 /nfs/dbraw/zinc/67/70/24/553677024.db2.gz KYUIGVWXFNFENU-XQNSMLJCSA-N -1 0 513.550 3.844 50 10 KHCARM CCOc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1 ZINC000095471021 553701434 /nfs/dbraw/zinc/70/14/34/553701434.db2.gz OYQXXEGWCLNEIB-KQWNVCNZSA-N -1 0 520.567 3.773 50 10 KHCARM Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(CCS(=O)(=O)[O-])C3=O)c3cc(Br)ccc32)cc1 ZINC000096021947 553718376 /nfs/dbraw/zinc/71/83/76/553718376.db2.gz MULQKAKTJMBXLU-ZCXUNETKSA-N -1 0 553.481 3.764 50 10 KHCARM COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4cc([O-])c5c(=O)cc(-c6ccc(O)c(O)c6)oc5c43)cc2c1 ZINC000096114429 553725084 /nfs/dbraw/zinc/72/50/84/553725084.db2.gz SDQPGKYALNQJRB-HNNXBMFYSA-N -1 0 513.458 3.868 50 10 biogenic KHCARM COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4cc([O-])c5c(=O)cc(-c6ccc(O)c(O)c6)oc5c43)cc2c1 ZINC000096114430 553725028 /nfs/dbraw/zinc/72/50/28/553725028.db2.gz SDQPGKYALNQJRB-OAHLLOKOSA-N -1 0 513.458 3.868 50 10 biogenic KHCARM COC(=O)C[C@@H](c1ccc2nccnc2c1)C1=C2OC(c3ccc(O)c(O)c3)C(=O)C(O)=C2C(=O)C=C1[O-] ZINC000096114811 553725365 /nfs/dbraw/zinc/72/53/65/553725365.db2.gz UTCYJTGDYPRRRW-AWEZNQCLSA-N -1 0 516.462 3.626 50 10 biogenic KHCARM COC(=O)C[C@H](c1ccc2nccnc2c1)C1=C2OC(c3ccc(O)c(O)c3)C(=O)C(O)=C2C(=O)C=C1[O-] ZINC000096114812 553725415 /nfs/dbraw/zinc/72/54/15/553725415.db2.gz UTCYJTGDYPRRRW-CQSZACIVSA-N -1 0 516.462 3.626 50 10 biogenic KHCARM COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc2c1OCCO2 ZINC000096114933 553725320 /nfs/dbraw/zinc/72/53/20/553725320.db2.gz HNVZOAHDHSJQIK-AWEZNQCLSA-N -1 0 504.447 3.798 50 10 biogenic KHCARM COc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc2c1OCCO2 ZINC000096114934 553725446 /nfs/dbraw/zinc/72/54/46/553725446.db2.gz HNVZOAHDHSJQIK-CQSZACIVSA-N -1 0 504.447 3.798 50 10 biogenic KHCARM COC(=O)COc1ccccc1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c21 ZINC000096115558 553726015 /nfs/dbraw/zinc/72/60/15/553726015.db2.gz WLQICVWKRXDENB-HNNXBMFYSA-N -1 0 504.447 3.570 50 10 biogenic KHCARM COC(=O)COc1ccccc1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c21 ZINC000096115559 553726127 /nfs/dbraw/zinc/72/61/27/553726127.db2.gz WLQICVWKRXDENB-OAHLLOKOSA-N -1 0 504.447 3.570 50 10 biogenic KHCARM Cc1ccc2cc([C@@H]3CC(=O)Oc4cc([O-])c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)[nH]c2c1 ZINC000096220867 553730163 /nfs/dbraw/zinc/73/01/63/553730163.db2.gz NJSJJTXYNMWFPF-AWEZNQCLSA-N -1 0 513.458 3.873 50 10 biogenic KHCARM Cc1ccc2cc([C@H]3CC(=O)Oc4cc([O-])c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)[nH]c2c1 ZINC000096220868 553730136 /nfs/dbraw/zinc/73/01/36/553730136.db2.gz NJSJJTXYNMWFPF-CQSZACIVSA-N -1 0 513.458 3.873 50 10 biogenic KHCARM Cn1c(=O)c([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc2ccccc21 ZINC000096221230 553730307 /nfs/dbraw/zinc/73/03/07/553730307.db2.gz ZDWWWQHCQQADOB-AWEZNQCLSA-N -1 0 513.458 3.575 50 10 biogenic KHCARM Cn1c(=O)c([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc2ccccc21 ZINC000096221232 553730184 /nfs/dbraw/zinc/73/01/84/553730184.db2.gz ZDWWWQHCQQADOB-CQSZACIVSA-N -1 0 513.458 3.575 50 10 biogenic KHCARM COC(=O)C[C@@H](c1ccc(F)c(F)c1)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000096221434 553730618 /nfs/dbraw/zinc/73/06/18/553730618.db2.gz IANSWINFVIDUFM-LBPRGKRZSA-N -1 0 500.406 3.961 50 10 biogenic KHCARM COC(=O)C[C@H](c1ccc(F)c(F)c1)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000096221436 553730518 /nfs/dbraw/zinc/73/05/18/553730518.db2.gz IANSWINFVIDUFM-GFCCVEGCSA-N -1 0 500.406 3.961 50 10 biogenic KHCARM COC(=O)C[C@H]1c2c(nc3sccn32)Oc2cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 ZINC000096222361 553730851 /nfs/dbraw/zinc/73/08/51/553730851.db2.gz ZVFODBWXGHEUQG-SNVBAGLBSA-N -1 0 508.464 3.792 50 10 biogenic KHCARM COC(=O)C[C@@H]1c2c(nc3sccn32)Oc2cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 ZINC000096222362 553730975 /nfs/dbraw/zinc/73/09/75/553730975.db2.gz ZVFODBWXGHEUQG-JTQLQIEISA-N -1 0 508.464 3.792 50 10 biogenic KHCARM Cc1cccc2cc([C@@H]3CC(=O)Oc4cc([O-])c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)[nH]c12 ZINC000096222540 553731254 /nfs/dbraw/zinc/73/12/54/553731254.db2.gz HXRAHFVAPYPQIK-AWEZNQCLSA-N -1 0 513.458 3.873 50 10 biogenic KHCARM Cc1cccc2cc([C@H]3CC(=O)Oc4cc([O-])c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)[nH]c12 ZINC000096222542 553731285 /nfs/dbraw/zinc/73/12/85/553731285.db2.gz HXRAHFVAPYPQIK-CQSZACIVSA-N -1 0 513.458 3.873 50 10 biogenic KHCARM O=C1C[C@@H](c2coc3ccccc3c2=O)c2c(cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1 ZINC000096222680 553731328 /nfs/dbraw/zinc/73/13/28/553731328.db2.gz ITEXFJXSZWKXLJ-ZDUSSCGKSA-N -1 0 500.415 3.830 50 10 biogenic KHCARM O=C1C[C@H](c2coc3ccccc3c2=O)c2c(cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1 ZINC000096222681 553731310 /nfs/dbraw/zinc/73/13/10/553731310.db2.gz ITEXFJXSZWKXLJ-CYBMUJFWSA-N -1 0 500.415 3.830 50 10 biogenic KHCARM COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222867 553731322 /nfs/dbraw/zinc/73/13/22/553731322.db2.gz XORIDJKUIPWNDH-OAHLLOKOSA-N -1 0 508.479 3.995 50 10 biogenic KHCARM COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222868 553731261 /nfs/dbraw/zinc/73/12/61/553731261.db2.gz XORIDJKUIPWNDH-HNNXBMFYSA-N -1 0 508.479 3.995 50 10 biogenic KHCARM O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000096582289 553756427 /nfs/dbraw/zinc/75/64/27/553756427.db2.gz MDKOIZBQBFGFEW-RGEXLXHISA-N -1 0 510.622 3.722 50 10 KHCARM CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2C(=O)[O-])o1 ZINC000097944543 553770135 /nfs/dbraw/zinc/77/01/35/553770135.db2.gz VOKPNFVYOWQFJD-WQRHYEAKSA-N -1 0 530.356 3.861 50 10 KHCARM O=C([O-])CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC1=S ZINC000097946678 553781157 /nfs/dbraw/zinc/78/11/57/553781157.db2.gz KNNFZTFAXPYTRS-JWGURIENSA-N -1 0 568.702 4.000 50 10 KHCARM O=C([O-])CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)SC1=S ZINC000097946708 553781336 /nfs/dbraw/zinc/78/13/36/553781336.db2.gz FABMXTJIPZWTIV-JCMHNJIXSA-N -1 0 568.702 4.000 50 10 KHCARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12 ZINC000097947265 553784973 /nfs/dbraw/zinc/78/49/73/553784973.db2.gz DNDJXFVTDLNSGP-PGMHBOJBSA-N -1 0 567.668 3.535 50 10 KHCARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 ZINC000097947268 553784965 /nfs/dbraw/zinc/78/49/65/553784965.db2.gz UMWWLDFHPRYDCG-PGMHBOJBSA-N -1 0 567.668 3.535 50 10 KHCARM Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)c(=O)n2c1 ZINC000097947288 553785145 /nfs/dbraw/zinc/78/51/45/553785145.db2.gz NESDNGVFZCQSIT-QNGOZBTKSA-N -1 0 567.668 3.535 50 10 KHCARM Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)c(=O)n2c1 ZINC000097947290 553785175 /nfs/dbraw/zinc/78/51/75/553785175.db2.gz JHSGTQIFVOGVJN-QNGOZBTKSA-N -1 0 567.668 3.535 50 10 KHCARM O=C([O-])CN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2Oc2ccc(Br)cc2)SC1=S ZINC000097947389 553785847 /nfs/dbraw/zinc/78/58/47/553785847.db2.gz HZEPTARESGVFJB-ZROIWOOFSA-N -1 0 518.370 3.535 50 10 KHCARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCCCC(=O)[O-])C3=O)c(NC[C@H](O)c3ccccc3)nc12 ZINC000097947410 553786036 /nfs/dbraw/zinc/78/60/36/553786036.db2.gz GLBOLZDLYLYRSZ-RLKVQFJASA-N -1 0 552.678 3.995 50 10 KHCARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCCCC(=O)[O-])C3=O)c(NC[C@@H](O)c3ccccc3)nc12 ZINC000097947411 553786027 /nfs/dbraw/zinc/78/60/27/553786027.db2.gz GLBOLZDLYLYRSZ-YLCCHKQJSA-N -1 0 552.678 3.995 50 10 KHCARM CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c1 ZINC000097947618 553787577 /nfs/dbraw/zinc/78/75/77/553787577.db2.gz BTRXRYRDSGCTLL-STZFKDTASA-N -1 0 556.691 3.856 50 10 KHCARM CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)c1 ZINC000097947621 553787611 /nfs/dbraw/zinc/78/76/11/553787611.db2.gz LPTIDSADSSXPLA-QNGOZBTKSA-N -1 0 556.691 3.856 50 10 KHCARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000097958086 553851140 /nfs/dbraw/zinc/85/11/40/553851140.db2.gz VXGGCCBFYKUIBR-QTTRZTASSA-N -1 0 571.655 3.913 50 10 KHCARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000097958087 553851098 /nfs/dbraw/zinc/85/10/98/553851098.db2.gz VXGGCCBFYKUIBR-QPJBPQEWSA-N -1 0 571.655 3.913 50 10 KHCARM O=C(Cn1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c2ccccc21)N1CCOCC1 ZINC000097959496 553864282 /nfs/dbraw/zinc/86/42/82/553864282.db2.gz AKVKHZNKSNCKCR-NDENLUEZSA-N -1 0 537.370 3.769 50 10 KHCARM CCOC(=O)c1cc(NC(=O)COc2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)cc2)ccc1Cl ZINC000097962708 553885131 /nfs/dbraw/zinc/88/51/31/553885131.db2.gz HPCBYYDJBUQPHB-GIJQJNRQSA-N -1 0 534.999 3.820 50 10 KHCARM COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl ZINC000097962711 553885111 /nfs/dbraw/zinc/88/51/11/553885111.db2.gz SSUQNBHYJKIADW-DJKKODMXSA-N -1 0 662.533 3.876 50 10 KHCARM COc1c2c(cc(CCN(C)C(C)=O)c1C=C1C(=O)[N-]C(=O)N(c3ccc(I)cc3)C1=O)OCO2 ZINC000097968784 553934331 /nfs/dbraw/zinc/93/43/31/553934331.db2.gz YGNCKOYHGZARPN-WQRHYEAKSA-N -1 0 591.358 3.556 50 10 KHCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000097969556 553942188 /nfs/dbraw/zinc/94/21/88/553942188.db2.gz LLTUOZVOQWYSGY-BKUYFWCQSA-N -1 0 607.360 3.967 50 10 KHCARM COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1C=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O ZINC000097969952 553947342 /nfs/dbraw/zinc/94/73/42/553947342.db2.gz BZESXNVWPTVZNI-CIAFOILYSA-N -1 0 529.480 3.510 50 10 KHCARM COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CCC3)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097971855 553963204 /nfs/dbraw/zinc/96/32/04/553963204.db2.gz KXOLQGBVBOQHTJ-KRWDZBQOSA-N -1 0 571.538 3.944 50 10 biogenic KHCARM COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CCC3)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097971856 553963179 /nfs/dbraw/zinc/96/31/79/553963179.db2.gz KXOLQGBVBOQHTJ-QGZVFWFLSA-N -1 0 571.538 3.944 50 10 biogenic KHCARM COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097971957 553964593 /nfs/dbraw/zinc/96/45/93/553964593.db2.gz YABLIIOAHUGJDP-CQSZACIVSA-N -1 0 554.504 3.709 50 10 biogenic KHCARM COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097971958 553964642 /nfs/dbraw/zinc/96/46/42/553964642.db2.gz YABLIIOAHUGJDP-AWEZNQCLSA-N -1 0 554.504 3.709 50 10 biogenic KHCARM COC(=O)C[C@H](c1coc2ccc(OC)cc2c1=O)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097971977 553964702 /nfs/dbraw/zinc/96/47/02/553964702.db2.gz IXLKJEVPRSMNAQ-CQSZACIVSA-N -1 0 562.483 3.798 50 10 biogenic KHCARM COC(=O)C[C@@H](c1coc2ccc(OC)cc2c1=O)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097971978 553964650 /nfs/dbraw/zinc/96/46/50/553964650.db2.gz IXLKJEVPRSMNAQ-AWEZNQCLSA-N -1 0 562.483 3.798 50 10 biogenic KHCARM COC(=O)C[C@H](c1cc2ccc(OC)cc2n(C)c1=O)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097972002 553965102 /nfs/dbraw/zinc/96/51/02/553965102.db2.gz QMSCOIHAHZFVQO-MRXNPFEDSA-N -1 0 575.526 3.544 50 10 biogenic KHCARM COC(=O)C[C@@H](c1cc2ccc(OC)cc2n(C)c1=O)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097972003 553964840 /nfs/dbraw/zinc/96/48/40/553964840.db2.gz QMSCOIHAHZFVQO-INIZCTEOSA-N -1 0 575.526 3.544 50 10 biogenic KHCARM COC(=O)C[C@H](c1ccc(OC)c(OC)c1)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097972020 553964884 /nfs/dbraw/zinc/96/48/84/553964884.db2.gz RWBOKLJRXYGNQD-CQSZACIVSA-N -1 0 524.478 3.700 50 10 biogenic KHCARM COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097972021 553965335 /nfs/dbraw/zinc/96/53/35/553965335.db2.gz RWBOKLJRXYGNQD-AWEZNQCLSA-N -1 0 524.478 3.700 50 10 biogenic KHCARM COC(=O)C[C@H](c1ccc(OC)cc1OC)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097972025 553965315 /nfs/dbraw/zinc/96/53/15/553965315.db2.gz OSHQGFKHGSYSRA-OAHLLOKOSA-N -1 0 524.478 3.700 50 10 biogenic KHCARM COC(=O)C[C@@H](c1ccc(OC)cc1OC)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097972026 553965302 /nfs/dbraw/zinc/96/53/02/553965302.db2.gz OSHQGFKHGSYSRA-HNNXBMFYSA-N -1 0 524.478 3.700 50 10 biogenic KHCARM COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc(OC)c1OC(C)=O ZINC000097972053 553965606 /nfs/dbraw/zinc/96/56/06/553965606.db2.gz SETWFFWTIUXCDG-HNNXBMFYSA-N -1 0 534.473 3.960 50 10 biogenic KHCARM COc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc(OC)c1OC(C)=O ZINC000097972054 553965792 /nfs/dbraw/zinc/96/57/92/553965792.db2.gz SETWFFWTIUXCDG-OAHLLOKOSA-N -1 0 534.473 3.960 50 10 biogenic KHCARM COc1ccc2cc([C@@H]3CC(=O)Oc4cc([O-])c5c(=O)cc(-c6ccc(O)c(O)c6)oc5c43)c(=O)n(C)c2c1 ZINC000097972066 553965618 /nfs/dbraw/zinc/96/56/18/553965618.db2.gz QGXMDEWVTJXPPK-INIZCTEOSA-N -1 0 527.485 3.878 50 10 biogenic KHCARM COc1ccc2cc([C@H]3CC(=O)Oc4cc([O-])c5c(=O)cc(-c6ccc(O)c(O)c6)oc5c43)c(=O)n(C)c2c1 ZINC000097972067 553965591 /nfs/dbraw/zinc/96/55/91/553965591.db2.gz QGXMDEWVTJXPPK-MRXNPFEDSA-N -1 0 527.485 3.878 50 10 biogenic KHCARM COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097972084 553965749 /nfs/dbraw/zinc/96/57/49/553965749.db2.gz IMKVWWMBGZNUHE-CQSZACIVSA-N -1 0 554.504 3.709 50 10 biogenic KHCARM COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097972085 553965855 /nfs/dbraw/zinc/96/58/55/553965855.db2.gz IMKVWWMBGZNUHE-AWEZNQCLSA-N -1 0 554.504 3.709 50 10 biogenic KHCARM COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CC3)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097972086 553966054 /nfs/dbraw/zinc/96/60/54/553966054.db2.gz APXVAULLPWAZPI-INIZCTEOSA-N -1 0 557.511 3.554 50 10 biogenic KHCARM COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CC3)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097972087 553966101 /nfs/dbraw/zinc/96/61/01/553966101.db2.gz APXVAULLPWAZPI-MRXNPFEDSA-N -1 0 557.511 3.554 50 10 biogenic KHCARM COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097972098 553966027 /nfs/dbraw/zinc/96/60/27/553966027.db2.gz ORCKOQPGDOWFAC-CQSZACIVSA-N -1 0 554.504 3.709 50 10 biogenic KHCARM COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097972099 553966074 /nfs/dbraw/zinc/96/60/74/553966074.db2.gz ORCKOQPGDOWFAC-AWEZNQCLSA-N -1 0 554.504 3.709 50 10 biogenic KHCARM O=C(c1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc2nsnc21)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000097996161 554038341 /nfs/dbraw/zinc/03/83/41/554038341.db2.gz OSESNQLLAXEWBB-UHFFFAOYSA-N -1 0 612.542 3.946 50 10 KHCARM COc1ccc(N2CCN(C(=O)c3ccc4c(c3)[n-]c(=S)n(Cc3ccc5c(c3)OCO5)c4=O)CC2)cc1 ZINC000098049478 554166380 /nfs/dbraw/zinc/16/63/80/554166380.db2.gz RJQAGZYSPHWNTG-UHFFFAOYSA-N -1 0 530.606 3.807 50 10 KHCARM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccc(Br)cc3)C2=O)cc(I)c1O ZINC000100062159 554199027 /nfs/dbraw/zinc/19/90/27/554199027.db2.gz GUEHWHYYCGCTCY-NTUHNPAUSA-N -1 0 529.128 3.619 50 10 KHCARM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccc(Br)cc3)C2=O)cc(Br)c1OC(C)=O ZINC000100164414 554235832 /nfs/dbraw/zinc/23/58/32/554235832.db2.gz HKPSJEHXWQLZGT-NVNXTCNLSA-N -1 0 524.165 3.997 50 10 KHCARM COc1c(I)cc(I)cc1/C=C1/C(=O)[N-]N(c2ccc(C)cc2)C1=O ZINC000100165100 554236266 /nfs/dbraw/zinc/23/62/66/554236266.db2.gz HPVZYPBJZYRUBA-ZSOIEALJSA-N -1 0 560.129 3.674 50 10 KHCARM CNc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1I ZINC000100193090 554245465 /nfs/dbraw/zinc/24/54/65/554245465.db2.gz AZXRSJQBCGGXNT-NTUHNPAUSA-N -1 0 587.155 3.912 50 10 KHCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OC)c(I)c3)C2=O)cc1 ZINC000100215918 554250266 /nfs/dbraw/zinc/25/02/66/554250266.db2.gz ZYPSNMHUSFGGSF-NTUHNPAUSA-N -1 0 604.138 3.579 50 10 KHCARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C1=O ZINC000100221191 554251749 /nfs/dbraw/zinc/25/17/49/554251749.db2.gz YYTXCJZTQNYFBY-QNGOZBTKSA-N -1 0 525.517 3.557 50 10 KHCARM CCOc1cc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc(I)c1OCC(=O)[O-] ZINC000100225703 554253215 /nfs/dbraw/zinc/25/32/15/554253215.db2.gz KFDWUUAFMGLWFF-LZYBPNLTSA-N -1 0 551.293 3.868 50 10 KHCARM CCOc1cc(/C=C2/C(C)=NN(c3ccc(C(=O)[O-])cc3)C2=O)c(Br)c(Br)c1OCC(N)=O ZINC000100230557 554256466 /nfs/dbraw/zinc/25/64/66/554256466.db2.gz WCRDDHAACKUGLW-NVNXTCNLSA-N -1 0 581.217 3.979 50 10 KHCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(CN4C(=O)c5ccccc5C4=O)c3)C2=O)cc1 ZINC000100241272 554260202 /nfs/dbraw/zinc/26/02/02/554260202.db2.gz LMUCQQCPFFZGBD-HAHDFKILSA-N -1 0 525.517 3.557 50 10 KHCARM CN1C(=O)[N-]C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)C1=O ZINC000100264296 554266588 /nfs/dbraw/zinc/26/65/88/554266588.db2.gz JWNCJDATFAMCHR-ZSOIEALJSA-N -1 0 541.139 3.724 50 10 KHCARM COc1cc(Br)c(/C=C2/C(=O)[N-]N(c3ccc(I)cc3)C2=O)cc1OC ZINC000100280459 554276469 /nfs/dbraw/zinc/27/64/69/554276469.db2.gz ZAVDJNNFNNPXTO-QPEQYQDCSA-N -1 0 529.128 3.532 50 10 KHCARM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccc(Br)cc3)C2=O)cc(I)c1O ZINC000100282359 554277000 /nfs/dbraw/zinc/27/70/00/554277000.db2.gz GUEHWHYYCGCTCY-QPEQYQDCSA-N -1 0 529.128 3.619 50 10 KHCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000100291863 554284615 /nfs/dbraw/zinc/28/46/15/554284615.db2.gz OVXJRWZCDBBFEK-UYRXBGFRSA-N -1 0 531.977 3.976 50 10 KHCARM COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000100291865 554284585 /nfs/dbraw/zinc/28/45/85/554284585.db2.gz OVXJRWZCDBBFEK-CPNJWEJPSA-N -1 0 531.977 3.976 50 10 KHCARM COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OC(=O)c1ccccc1I ZINC000100299783 554290214 /nfs/dbraw/zinc/29/02/14/554290214.db2.gz RXTVVASYGQLVEI-CXUHLZMHSA-N -1 0 555.371 3.805 50 10 KHCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1 ZINC000100345272 554329954 /nfs/dbraw/zinc/32/99/54/554329954.db2.gz LWTBGNBGWMRJGE-WQRHYEAKSA-N -1 0 534.437 3.979 50 10 KHCARM COc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)cc1 ZINC000100359216 554340061 /nfs/dbraw/zinc/34/00/61/554340061.db2.gz GTDBGZNIQONLQQ-MFKUBSTISA-N -1 0 529.549 3.903 50 10 KHCARM COc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)cc1 ZINC000100359222 554340055 /nfs/dbraw/zinc/34/00/55/554340055.db2.gz GTDBGZNIQONLQQ-MYYYXRDXSA-N -1 0 529.549 3.903 50 10 KHCARM O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(I)cc(I)c1O ZINC000100482112 554402072 /nfs/dbraw/zinc/40/20/72/554402072.db2.gz ZKMUOYGGRAXPNM-SDQBBNPISA-N -1 0 566.520 3.716 50 10 KHCARM O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000100540427 554412793 /nfs/dbraw/zinc/41/27/93/554412793.db2.gz PVJGGZJIFKRDDO-ATVHPVEESA-N -1 0 516.651 3.784 50 10 KHCARM CCOC(=O)COc1cc(Br)c(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000100644816 554436624 /nfs/dbraw/zinc/43/66/24/554436624.db2.gz OJAVUNHGQVRDBG-PXNMLYILSA-N -1 0 523.767 3.905 50 10 KHCARM Cc1ccc2sc(/C=C3\Sc4ccccc4N3CCCS(=O)(=O)[O-])[n+](CCCS(=O)(=O)[O-])c2c1 ZINC000100717937 554454908 /nfs/dbraw/zinc/45/49/08/554454908.db2.gz CISMFNCUMCDBJN-UHFFFAOYSA-O -1 0 541.718 3.964 50 10 KHCARM CCOC(=O)C(=C([O-])C(=O)Nc1ccc(Br)cc1)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O ZINC000100721446 554455447 /nfs/dbraw/zinc/45/54/47/554455447.db2.gz LSEPRKFIWQGXIK-FQEVSTJZSA-N -1 0 588.370 3.728 50 10 KHCARM CCOC(=O)C(=C([O-])C(=O)Nc1ccc(Br)cc1)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O ZINC000100721448 554455485 /nfs/dbraw/zinc/45/54/85/554455485.db2.gz LSEPRKFIWQGXIK-HXUWFJFHSA-N -1 0 588.370 3.728 50 10 KHCARM O=C([O-])CCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000100762107 554467634 /nfs/dbraw/zinc/46/76/34/554467634.db2.gz FAHQYNKSVNZSNN-FXBPSFAMSA-N -1 0 534.663 3.830 50 10 KHCARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 ZINC000100762266 554468120 /nfs/dbraw/zinc/46/81/20/554468120.db2.gz OYIZKLUQPUVYMV-HKWRFOASSA-N -1 0 570.096 3.659 50 10 KHCARM Cc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)c(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)c(=O)n2c1 ZINC000100762324 554468067 /nfs/dbraw/zinc/46/80/67/554468067.db2.gz SSBSCIDBFBYQES-ZHZULCJRSA-N -1 0 570.096 3.659 50 10 KHCARM CCOc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CCCC(=O)[O-])C3=O)c3ccccc32)cc1 ZINC000100836412 554483433 /nfs/dbraw/zinc/48/34/33/554483433.db2.gz SYNJIPMURYFXBA-DQRAZIAOSA-N -1 0 525.608 3.507 50 10 KHCARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCCCC(=O)[O-])C3=O)c(NCCCn3ccnc3)nc12 ZINC000100840298 554488519 /nfs/dbraw/zinc/48/85/19/554488519.db2.gz XSQJJAUCPBJMBY-CYVLTUHYSA-N -1 0 540.671 3.548 50 10 KHCARM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2NCCOCCO)SC1=S ZINC000100840302 554488482 /nfs/dbraw/zinc/48/84/82/554488482.db2.gz HOEOYPBHMQJGBA-VZCXRCSSSA-N -1 0 576.741 3.912 50 10 KHCARM Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCC(=O)[O-])C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12 ZINC000100860293 554494838 /nfs/dbraw/zinc/49/48/38/554494838.db2.gz DNDJXFVTDLNSGP-LTGZKZEYSA-N -1 0 567.668 3.535 50 10 KHCARM Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3/SC(=S)N(CCCC(=O)[O-])C3=O)c(=O)n2c1 ZINC000100860338 554495202 /nfs/dbraw/zinc/49/52/02/554495202.db2.gz JHSGTQIFVOGVJN-RCCKNPSSSA-N -1 0 567.668 3.535 50 10 KHCARM Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCC(=O)[O-])C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 ZINC000100860387 554495180 /nfs/dbraw/zinc/49/51/80/554495180.db2.gz UMWWLDFHPRYDCG-LTGZKZEYSA-N -1 0 567.668 3.535 50 10 KHCARM Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3/SC(=S)N(CCCC(=O)[O-])C3=O)c(=O)n2c1 ZINC000100860407 554495214 /nfs/dbraw/zinc/49/52/14/554495214.db2.gz NESDNGVFZCQSIT-RCCKNPSSSA-N -1 0 567.668 3.535 50 10 KHCARM COc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)[O-])C3=O)c3ccccc32)cc1 ZINC000100871320 554499033 /nfs/dbraw/zinc/49/90/33/554499033.db2.gz VTLYAPQSPYIRQU-FCQUAONHSA-N -1 0 539.635 3.897 50 10 KHCARM O=C([O-])CCCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)NCCc3ccccc3)c3ccccc32)SC1=S ZINC000100893142 554512895 /nfs/dbraw/zinc/51/28/95/554512895.db2.gz PGDXPMFFUKYBHF-VHXPQNKSSA-N -1 0 537.663 3.609 50 10 KHCARM C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c2)C[C@H](C)O1 ZINC000100900610 554514272 /nfs/dbraw/zinc/51/42/72/554514272.db2.gz BLXRCFOVPGNACL-AKJJSLRDSA-N -1 0 598.728 3.623 50 10 KHCARM C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c2)C[C@H](C)O1 ZINC000100900612 554514257 /nfs/dbraw/zinc/51/42/57/554514257.db2.gz BLXRCFOVPGNACL-WWNXGUCMSA-N -1 0 598.728 3.623 50 10 KHCARM C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c2)C[C@@H](C)O1 ZINC000100900615 554514409 /nfs/dbraw/zinc/51/44/09/554514409.db2.gz BLXRCFOVPGNACL-AWLIUGMOSA-N -1 0 598.728 3.623 50 10 KHCARM COc1cc([N-]S(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4ccc(C)c(C)c4)c3=O)cc2)nc(OC)n1 ZINC000100922842 1066192869 /nfs/dbraw/zinc/19/28/69/1066192869.db2.gz OBTXGBGIDGTYBI-STZFKDTASA-N -1 0 522.587 3.630 50 10 KHCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2NC[C@@H](O)c2ccccc2)SC1=S ZINC000101066064 554573140 /nfs/dbraw/zinc/57/31/40/554573140.db2.gz YYIFXLNGROFZMR-GCFJHJGGSA-N -1 0 538.651 3.686 50 10 KHCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2NC[C@H](O)c2ccccc2)SC1=S ZINC000101066067 554573053 /nfs/dbraw/zinc/57/30/53/554573053.db2.gz YYIFXLNGROFZMR-RVPSJEOCSA-N -1 0 538.651 3.686 50 10 KHCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000101090267 554581662 /nfs/dbraw/zinc/58/16/62/554581662.db2.gz VROIPKQYUBIXON-WOJGMQOQSA-N -1 0 534.437 3.979 50 10 KHCARM CCN(CC)c1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000101094973 554584238 /nfs/dbraw/zinc/58/42/38/554584238.db2.gz UQUMHLFAVGFIJT-KEBDBYFISA-N -1 0 544.611 3.744 50 10 KHCARM COc1ccccc1NS(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000101114086 554642483 /nfs/dbraw/zinc/64/24/83/554642483.db2.gz WQVGGGRFPAYRJJ-RGEXLXHISA-N -1 0 526.958 3.728 50 10 KHCARM O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)SC(=S)N1CCS(=O)(=O)[O-] ZINC000101129902 554648835 /nfs/dbraw/zinc/64/88/35/554648835.db2.gz CULPOYNTOOOYIX-HAVVHWLPSA-N -1 0 618.784 3.803 50 10 KHCARM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000101148917 554656732 /nfs/dbraw/zinc/65/67/32/554656732.db2.gz YIHGFGSMKBPTJM-BKUYFWCQSA-N -1 0 530.924 3.724 50 10 KHCARM O=C([O-])CCN1C(=O)/C(=C/[C@H]2C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S ZINC000101333818 554733850 /nfs/dbraw/zinc/73/38/50/554733850.db2.gz IYBLIKVKNQMLRQ-CJMVGXJBSA-N -1 0 516.000 3.628 50 10 KHCARM COc1ccccc1NS(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000101350294 554738037 /nfs/dbraw/zinc/73/80/37/554738037.db2.gz WQVGGGRFPAYRJJ-XMHGGMMESA-N -1 0 526.958 3.728 50 10 KHCARM CCOc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1 ZINC000101350409 554738108 /nfs/dbraw/zinc/73/81/08/554738108.db2.gz OYQXXEGWCLNEIB-XQNSMLJCSA-N -1 0 520.567 3.773 50 10 KHCARM CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000101377532 554746950 /nfs/dbraw/zinc/74/69/50/554746950.db2.gz YIRORIDPUPOLAJ-PCLIKHOPSA-N -1 0 535.622 3.720 50 10 KHCARM N=C1/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)N=C2SN=C(S(=O)(=O)Cc3ccccc3)N21 ZINC000101397012 554758483 /nfs/dbraw/zinc/75/84/83/554758483.db2.gz GESWQCPUSCNEAY-QDLOHUEYSA-N -1 0 520.548 3.836 50 10 KHCARM CCCCn1c([O-])c(C=CC=C2C(=O)N(CCCC)C(=O)N(CCCC)C2=O)c(=O)n(CCCC)c1=O ZINC000101410057 554763376 /nfs/dbraw/zinc/76/33/76/554763376.db2.gz ATJCYSYHWGQAET-BUHFOSPRSA-N -1 0 516.639 3.867 50 10 KHCARM COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000101415415 554764617 /nfs/dbraw/zinc/76/46/17/554764617.db2.gz DDWPNRRDUCYGNH-HMMYKYKNSA-N -1 0 520.567 3.692 50 10 KHCARM CCOC(=O)COc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1OCC ZINC000101677904 554828165 /nfs/dbraw/zinc/82/81/65/554828165.db2.gz HDTSLBGIQUCEHM-LICLKQGHSA-N -1 0 578.359 3.607 50 10 KHCARM Cc1c(/C=C2\C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)c(=O)oc2c1cc1c3c2CCCN3CCC1 ZINC000102461507 554935281 /nfs/dbraw/zinc/93/52/81/554935281.db2.gz XDYLHJHSGUUSHU-HZHRSRAPSA-N -1 0 515.541 3.644 50 10 KHCARM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)cc2)nn1 ZINC000102579611 554971991 /nfs/dbraw/zinc/97/19/91/554971991.db2.gz HPFQRPDJASMGQF-RGEXLXHISA-N -1 0 573.653 3.655 50 10 KHCARM Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCCCC(=O)[O-])C3=O)c(NCCCn3ccnc3)nc12 ZINC000102823994 1066533088 /nfs/dbraw/zinc/53/30/88/1066533088.db2.gz XSQJJAUCPBJMBY-XDJHFCHBSA-N -1 0 540.671 3.548 50 10 KHCARM Nc1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC000102923360 555147817 /nfs/dbraw/zinc/14/78/17/555147817.db2.gz MVZZEFODBFMCDW-UHFFFAOYSA-N -1 0 555.568 3.641 50 10 KHCARM O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000102931339 555158811 /nfs/dbraw/zinc/15/88/11/555158811.db2.gz WEHUEYVCPMGBQD-UHFFFAOYSA-N -1 0 562.581 3.825 50 10 KHCARM O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000102931341 555158793 /nfs/dbraw/zinc/15/87/93/555158793.db2.gz HBSYYJJDHZQUET-UHFFFAOYSA-N -1 0 562.581 3.825 50 10 KHCARM CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)c1 ZINC000102937311 555165476 /nfs/dbraw/zinc/16/54/76/555165476.db2.gz GMBSTMZINDPQCC-UHFFFAOYSA-N -1 0 602.112 3.734 50 10 KHCARM COc1ccc(N2CCN(c3nc4cc5c(cc4nc3[N-]S(=O)(=O)c3ccccc3)OCCO5)CC2)cc1 ZINC000103005461 555203704 /nfs/dbraw/zinc/20/37/04/555203704.db2.gz GSZNQHTXYVVXAF-UHFFFAOYSA-N -1 0 533.610 3.537 50 10 KHCARM CCOC(=O)COc1c(I)cc(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc1OC ZINC000103069985 555250778 /nfs/dbraw/zinc/25/07/78/555250778.db2.gz AGICJWCUHXIDCK-CAOOACKPSA-N -1 0 564.332 3.746 50 10 KHCARM O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000103093139 555272166 /nfs/dbraw/zinc/27/21/66/555272166.db2.gz GGDPNCYMDQATMP-UHFFFAOYSA-N -1 0 598.589 3.830 50 10 KHCARM COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000103255480 555345705 /nfs/dbraw/zinc/34/57/05/555345705.db2.gz JGTTXDLZURSXLC-RCCKNPSSSA-N -1 0 520.567 3.692 50 10 KHCARM CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2C(=O)[O-])o1 ZINC000103731689 555465518 /nfs/dbraw/zinc/46/55/18/555465518.db2.gz VOKPNFVYOWQFJD-WOJGMQOQSA-N -1 0 530.356 3.861 50 10 KHCARM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccc(I)cc3)C2=O)cc(Br)c1OC(C)=O ZINC000103748824 555467003 /nfs/dbraw/zinc/46/70/03/555467003.db2.gz AEATZUBZTMYDCX-OVCLIPMQSA-N -1 0 571.165 3.839 50 10 KHCARM O=C1C[C@@H](c2cc3cccc4c3n(c2=O)CC4)c2c(cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1 ZINC000108447501 571423754 /nfs/dbraw/zinc/42/37/54/571423754.db2.gz YTMNKIODANRXHW-HNNXBMFYSA-N -1 0 525.469 3.594 50 10 biogenic KHCARM O=C1C[C@H](c2cc3cccc4c3n(c2=O)CC4)c2c(cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1 ZINC000108447503 571423728 /nfs/dbraw/zinc/42/37/28/571423728.db2.gz YTMNKIODANRXHW-OAHLLOKOSA-N -1 0 525.469 3.594 50 10 biogenic KHCARM COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc(OC)c1OC ZINC000108448076 571424043 /nfs/dbraw/zinc/42/40/43/571424043.db2.gz JTFABHZPGOHJJO-ZDUSSCGKSA-N -1 0 522.462 3.749 50 10 biogenic KHCARM COc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc(OC)c1OC ZINC000108448078 571424122 /nfs/dbraw/zinc/42/41/22/571424122.db2.gz JTFABHZPGOHJJO-CYBMUJFWSA-N -1 0 522.462 3.749 50 10 biogenic KHCARM COC(=O)C[C@H](c1ccc(OCCN2CCCC2=O)cc1)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000108448157 571424001 /nfs/dbraw/zinc/42/40/01/571424001.db2.gz HWEMVMXRTCOCDC-LJQANCHMSA-N -1 0 591.569 3.684 50 10 biogenic KHCARM COC(=O)C[C@@H](c1ccc(OCCN2CCCC2=O)cc1)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000108448160 571424115 /nfs/dbraw/zinc/42/41/15/571424115.db2.gz HWEMVMXRTCOCDC-IBGZPJMESA-N -1 0 591.569 3.684 50 10 biogenic KHCARM COc1ccc2occ([C@@H]3CC(=O)Oc4cc([O-])c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)c2c1 ZINC000108448433 571424201 /nfs/dbraw/zinc/42/42/01/571424201.db2.gz YWPNBVYHGDARNQ-ZDUSSCGKSA-N -1 0 530.441 3.838 50 10 biogenic KHCARM COc1ccc2occ([C@H]3CC(=O)Oc4cc([O-])c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)c2c1 ZINC000108448436 571424225 /nfs/dbraw/zinc/42/42/25/571424225.db2.gz YWPNBVYHGDARNQ-CYBMUJFWSA-N -1 0 530.441 3.838 50 10 biogenic KHCARM COC(=O)C[C@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000108448445 571424164 /nfs/dbraw/zinc/42/41/64/571424164.db2.gz GVEICTMRUVWSCF-OAHLLOKOSA-N -1 0 561.499 3.533 50 10 biogenic KHCARM COC(=O)C[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000108448448 571424242 /nfs/dbraw/zinc/42/42/42/571424242.db2.gz GVEICTMRUVWSCF-HNNXBMFYSA-N -1 0 561.499 3.533 50 10 biogenic KHCARM COC(=O)C[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108448638 571424398 /nfs/dbraw/zinc/42/43/98/571424398.db2.gz NPHNYHAJLYBXFH-OAHLLOKOSA-N -1 0 543.484 3.842 50 10 biogenic KHCARM COC(=O)C[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108448641 571424358 /nfs/dbraw/zinc/42/43/58/571424358.db2.gz NPHNYHAJLYBXFH-HNNXBMFYSA-N -1 0 543.484 3.842 50 10 biogenic KHCARM COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc(OC)c1OC(C)=O ZINC000108448796 571424545 /nfs/dbraw/zinc/42/45/45/571424545.db2.gz VQYPTQQCROYUDX-AWEZNQCLSA-N -1 0 550.472 3.666 50 10 biogenic KHCARM COc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc(OC)c1OC(C)=O ZINC000108448800 571424475 /nfs/dbraw/zinc/42/44/75/571424475.db2.gz VQYPTQQCROYUDX-CQSZACIVSA-N -1 0 550.472 3.666 50 10 biogenic KHCARM COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c(OC)c1OC ZINC000108448819 571424532 /nfs/dbraw/zinc/42/45/32/571424532.db2.gz HUUDGLAACXYPLX-ZDUSSCGKSA-N -1 0 522.462 3.749 50 10 biogenic KHCARM COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c(OC)c1OC ZINC000108448822 571424596 /nfs/dbraw/zinc/42/45/96/571424596.db2.gz HUUDGLAACXYPLX-CYBMUJFWSA-N -1 0 522.462 3.749 50 10 biogenic KHCARM COC(=O)COc1c(OC)cccc1[C@@H](CC(=O)OC)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108448955 571424526 /nfs/dbraw/zinc/42/45/26/571424526.db2.gz NCHWNCGQAPXBTK-QGZVFWFLSA-N -1 0 550.516 3.832 50 10 biogenic KHCARM COC(=O)COc1c(OC)cccc1[C@H](CC(=O)OC)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108448958 571424612 /nfs/dbraw/zinc/42/46/12/571424612.db2.gz NCHWNCGQAPXBTK-KRWDZBQOSA-N -1 0 550.516 3.832 50 10 biogenic KHCARM COc1ccc2cc([C@@H]3CC(=O)Oc4cc([O-])c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)[nH]c2c1 ZINC000108449184 571424674 /nfs/dbraw/zinc/42/46/74/571424674.db2.gz RUZMTQRBARHHEU-AWEZNQCLSA-N -1 0 529.457 3.574 50 10 biogenic KHCARM COc1ccc2cc([C@H]3CC(=O)Oc4cc([O-])c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)[nH]c2c1 ZINC000108449187 571424727 /nfs/dbraw/zinc/42/47/27/571424727.db2.gz RUZMTQRBARHHEU-CQSZACIVSA-N -1 0 529.457 3.574 50 10 biogenic KHCARM COC(=O)C[C@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000108449742 571424835 /nfs/dbraw/zinc/42/48/35/571424835.db2.gz LCJNRCXYACMTTD-OAHLLOKOSA-N -1 0 582.514 3.626 50 10 biogenic KHCARM COC(=O)C[C@@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000108449744 571424809 /nfs/dbraw/zinc/42/48/09/571424809.db2.gz LCJNRCXYACMTTD-HNNXBMFYSA-N -1 0 582.514 3.626 50 10 biogenic KHCARM COC(=O)C[C@@H](c1coc2ccccc2c1=O)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000108449897 571425040 /nfs/dbraw/zinc/42/50/40/571425040.db2.gz DBOOAVZEXFQNDE-AWEZNQCLSA-N -1 0 532.457 3.789 50 10 biogenic KHCARM COC(=O)C[C@H](c1coc2ccccc2c1=O)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000108449900 571424996 /nfs/dbraw/zinc/42/49/96/571424996.db2.gz DBOOAVZEXFQNDE-CQSZACIVSA-N -1 0 532.457 3.789 50 10 biogenic KHCARM COc1ccc2cc([C@@H]3CC(=O)Oc4cc([O-])c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)n(C)c2c1 ZINC000108449962 571425043 /nfs/dbraw/zinc/42/50/43/571425043.db2.gz XIZNEEYQBYAPQL-HNNXBMFYSA-N -1 0 543.484 3.584 50 10 biogenic KHCARM COc1ccc2cc([C@H]3CC(=O)Oc4cc([O-])c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)n(C)c2c1 ZINC000108449965 571425019 /nfs/dbraw/zinc/42/50/19/571425019.db2.gz XIZNEEYQBYAPQL-OAHLLOKOSA-N -1 0 543.484 3.584 50 10 biogenic KHCARM COC(=O)C[C@H](c1cc2ccccc2[nH]c1=O)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000108450155 571425192 /nfs/dbraw/zinc/42/51/92/571425192.db2.gz QRNVBSDQDHBBBP-CQSZACIVSA-N -1 0 531.473 3.525 50 10 biogenic KHCARM COC(=O)C[C@@H](c1cc2ccccc2[nH]c1=O)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000108450159 571425111 /nfs/dbraw/zinc/42/51/11/571425111.db2.gz QRNVBSDQDHBBBP-AWEZNQCLSA-N -1 0 531.473 3.525 50 10 biogenic KHCARM COC(=O)COc1ccc([C@@H](CC(=O)OC)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc1OC ZINC000108450420 571425372 /nfs/dbraw/zinc/42/53/72/571425372.db2.gz OCXRKMPCTFDADN-QGZVFWFLSA-N -1 0 550.516 3.832 50 10 biogenic KHCARM COC(=O)COc1ccc([C@H](CC(=O)OC)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc1OC ZINC000108450424 571425319 /nfs/dbraw/zinc/42/53/19/571425319.db2.gz OCXRKMPCTFDADN-KRWDZBQOSA-N -1 0 550.516 3.832 50 10 biogenic KHCARM O=C1C[C@@H](c2cc3cccc4c3n(c2=O)CCC4)c2c(cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1 ZINC000108450483 571425357 /nfs/dbraw/zinc/42/53/57/571425357.db2.gz HTHDUMNAOAYCPC-INIZCTEOSA-N -1 0 539.496 3.985 50 10 biogenic KHCARM O=C1C[C@H](c2cc3cccc4c3n(c2=O)CCC4)c2c(cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1 ZINC000108450485 571425284 /nfs/dbraw/zinc/42/52/84/571425284.db2.gz HTHDUMNAOAYCPC-MRXNPFEDSA-N -1 0 539.496 3.985 50 10 biogenic KHCARM COc1cc(OC)c([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1OC ZINC000108450572 571425346 /nfs/dbraw/zinc/42/53/46/571425346.db2.gz IQGJGBPGVNLZCH-ZDUSSCGKSA-N -1 0 522.462 3.749 50 10 biogenic KHCARM COc1cc(OC)c([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1OC ZINC000108450574 571425341 /nfs/dbraw/zinc/42/53/41/571425341.db2.gz IQGJGBPGVNLZCH-CYBMUJFWSA-N -1 0 522.462 3.749 50 10 biogenic KHCARM COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc2c1OCCO2 ZINC000108450925 571425516 /nfs/dbraw/zinc/42/55/16/571425516.db2.gz YLHHCCBVNKFBIW-ZDUSSCGKSA-N -1 0 520.446 3.503 50 10 biogenic KHCARM COc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc2c1OCCO2 ZINC000108450928 571425546 /nfs/dbraw/zinc/42/55/46/571425546.db2.gz YLHHCCBVNKFBIW-CYBMUJFWSA-N -1 0 520.446 3.503 50 10 biogenic KHCARM COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4cc([O-])c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)cc2c1 ZINC000108451067 571425480 /nfs/dbraw/zinc/42/54/80/571425480.db2.gz AWDDWCMSVGWKLQ-AWEZNQCLSA-N -1 0 529.457 3.574 50 10 biogenic KHCARM COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4cc([O-])c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)cc2c1 ZINC000108451070 571425441 /nfs/dbraw/zinc/42/54/41/571425441.db2.gz AWDDWCMSVGWKLQ-CQSZACIVSA-N -1 0 529.457 3.574 50 10 biogenic KHCARM COC(=O)C[C@@H](c1cc2ccccc2n(C)c1=O)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000108451402 571425664 /nfs/dbraw/zinc/42/56/64/571425664.db2.gz XAVDGEVPMHMLHI-HNNXBMFYSA-N -1 0 545.500 3.535 50 10 biogenic KHCARM COC(=O)C[C@H](c1cc2ccccc2n(C)c1=O)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000108451405 571425635 /nfs/dbraw/zinc/42/56/35/571425635.db2.gz XAVDGEVPMHMLHI-OAHLLOKOSA-N -1 0 545.500 3.535 50 10 biogenic KHCARM O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000211035859 571576202 /nfs/dbraw/zinc/57/62/02/571576202.db2.gz MDKOIZBQBFGFEW-XMHGGMMESA-N -1 0 510.622 3.722 50 10 KHCARM O=C(C[C@@H](c1ccc(O)cc1)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2)N1CCOCC1 ZINC000217594953 571601875 /nfs/dbraw/zinc/60/18/75/571601875.db2.gz MFVXJGQZCOQGHR-IBGZPJMESA-N -1 0 503.507 3.663 50 10 KHCARM O=C(C[C@H](c1ccc(O)cc1)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2)N1CCOCC1 ZINC000217595013 571601822 /nfs/dbraw/zinc/60/18/22/571601822.db2.gz MFVXJGQZCOQGHR-LJQANCHMSA-N -1 0 503.507 3.663 50 10 KHCARM O=C(C[C@@H](c1cccc(O)c1)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2)N1CCOCC1 ZINC000217599802 571601836 /nfs/dbraw/zinc/60/18/36/571601836.db2.gz SCFKRCCXYIIOBI-IBGZPJMESA-N -1 0 503.507 3.663 50 10 KHCARM O=C(C[C@H](c1cccc(O)c1)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2)N1CCOCC1 ZINC000217599887 571601798 /nfs/dbraw/zinc/60/17/98/571601798.db2.gz SCFKRCCXYIIOBI-LJQANCHMSA-N -1 0 503.507 3.663 50 10 KHCARM COc1ccc([C@H](CC(=O)N2CCOCC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)c(OC)c1OC ZINC000217621376 571601966 /nfs/dbraw/zinc/60/19/66/571601966.db2.gz GRMFPPIMBTWIQA-IBGZPJMESA-N -1 0 577.586 3.983 50 10 KHCARM COc1ccc([C@@H](CC(=O)N2CCOCC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)c(OC)c1OC ZINC000217621462 571602077 /nfs/dbraw/zinc/60/20/77/571602077.db2.gz GRMFPPIMBTWIQA-LJQANCHMSA-N -1 0 577.586 3.983 50 10 KHCARM O=C(C[C@H](c1ccc2c(c1)OCO2)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2)N1CCOCC1 ZINC000217627394 571602083 /nfs/dbraw/zinc/60/20/83/571602083.db2.gz XUAILXMJNBUMJP-GOSISDBHSA-N -1 0 531.517 3.686 50 10 KHCARM O=C(C[C@@H](c1ccc2c(c1)OCO2)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2)N1CCOCC1 ZINC000217627465 571602046 /nfs/dbraw/zinc/60/20/46/571602046.db2.gz XUAILXMJNBUMJP-SFHVURJKSA-N -1 0 531.517 3.686 50 10 KHCARM COc1ccc([C@H](CC(=O)N2CCN(C)CC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc1OC ZINC000217666586 571602292 /nfs/dbraw/zinc/60/22/92/571602292.db2.gz LEHTXWYFBCIEMU-FQEVSTJZSA-N -1 0 560.603 3.890 50 10 KHCARM COc1ccc([C@@H](CC(=O)N2CCN(C)CC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc1OC ZINC000217666673 571602274 /nfs/dbraw/zinc/60/22/74/571602274.db2.gz LEHTXWYFBCIEMU-HXUWFJFHSA-N -1 0 560.603 3.890 50 10 KHCARM COc1ccc2[nH]c(=O)c([C@H](CC(=O)N3CCN(C)CC3)c3c(=O)c(O)c([O-])c4c(O)cc(-c5ccccc5)oc3-4)cc2c1 ZINC000217670289 571602333 /nfs/dbraw/zinc/60/23/33/571602333.db2.gz OFBBBBHCADDNLO-NRFANRHFSA-N -1 0 597.624 3.723 50 10 KHCARM COc1ccc2[nH]c(=O)c([C@@H](CC(=O)N3CCN(C)CC3)c3c(=O)c(O)c([O-])c4c(O)cc(-c5ccccc5)oc3-4)cc2c1 ZINC000217670379 571602270 /nfs/dbraw/zinc/60/22/70/571602270.db2.gz OFBBBBHCADDNLO-OAQYLSRUSA-N -1 0 597.624 3.723 50 10 KHCARM CN1CCN(C(=O)C[C@H](c2ccc(O)cc2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000217671895 571602251 /nfs/dbraw/zinc/60/22/51/571602251.db2.gz UFMBMYHUOUDQTQ-HXUWFJFHSA-N -1 0 516.550 3.578 50 10 KHCARM CN1CCN(C(=O)C[C@@H](c2ccc(O)cc2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000217671986 571602320 /nfs/dbraw/zinc/60/23/20/571602320.db2.gz UFMBMYHUOUDQTQ-FQEVSTJZSA-N -1 0 516.550 3.578 50 10 KHCARM COc1ccc([C@@H](CC(=O)N2CCN(C)CC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)c(OC)c1 ZINC000217693943 1066513769 /nfs/dbraw/zinc/51/37/69/1066513769.db2.gz SSIDLTHLGXNJMH-OAQYLSRUSA-N -1 0 560.603 3.890 50 10 KHCARM COc1ccc([C@H](CC(=O)N2CCN(C)CC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc1O ZINC000217702186 1066514334 /nfs/dbraw/zinc/51/43/34/1066514334.db2.gz FWNGLPQRWVSRTE-IBGZPJMESA-N -1 0 546.576 3.587 50 10 KHCARM COc1ccc([C@@H](CC(=O)N2CCN(C)CC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc1O ZINC000217702265 1066514437 /nfs/dbraw/zinc/51/44/37/1066514437.db2.gz FWNGLPQRWVSRTE-LJQANCHMSA-N -1 0 546.576 3.587 50 10 KHCARM COc1cc([C@H](CC(=O)N2CCN(C)CC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)ccc1O ZINC000217715656 1066514322 /nfs/dbraw/zinc/51/43/22/1066514322.db2.gz VDRCKWAOXPKYLL-IBGZPJMESA-N -1 0 546.576 3.587 50 10 KHCARM COc1cc([C@@H](CC(=O)N2CCN(C)CC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)ccc1O ZINC000217715724 1066514275 /nfs/dbraw/zinc/51/42/75/1066514275.db2.gz VDRCKWAOXPKYLL-LJQANCHMSA-N -1 0 546.576 3.587 50 10 KHCARM COc1ccc([C@H](CC(=O)N2CCOCC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc1O ZINC000217725822 1066514450 /nfs/dbraw/zinc/51/44/50/1066514450.db2.gz XLXAVJCMDTYKDZ-SFHVURJKSA-N -1 0 533.533 3.672 50 10 KHCARM COc1ccc([C@@H](CC(=O)N2CCOCC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc1O ZINC000217725904 1066514391 /nfs/dbraw/zinc/51/43/91/1066514391.db2.gz XLXAVJCMDTYKDZ-GOSISDBHSA-N -1 0 533.533 3.672 50 10 KHCARM COc1ccc2occ([C@H](CC(=O)N3CCN(C)CC3)c3c(=O)c(O)c([O-])c4c(O)cc(-c5ccccc5)oc3-4)c(=O)c2c1 ZINC000217733816 1066514230 /nfs/dbraw/zinc/51/42/30/1066514230.db2.gz KNBKXMQFYBJARZ-FQEVSTJZSA-N -1 0 598.608 3.988 50 10 KHCARM COc1ccc2occ([C@@H](CC(=O)N3CCN(C)CC3)c3c(=O)c(O)c([O-])c4c(O)cc(-c5ccccc5)oc3-4)c(=O)c2c1 ZINC000217733886 1066514127 /nfs/dbraw/zinc/51/41/27/1066514127.db2.gz KNBKXMQFYBJARZ-HXUWFJFHSA-N -1 0 598.608 3.988 50 10 KHCARM CN1CCN(C(=O)C[C@H](c2ccsc2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000217746800 571602590 /nfs/dbraw/zinc/60/25/90/571602590.db2.gz XWLBPTPLUYRXSX-GOSISDBHSA-N -1 0 506.580 3.934 50 10 KHCARM CN1CCN(C(=O)C[C@@H](c2ccsc2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000217746877 571602561 /nfs/dbraw/zinc/60/25/61/571602561.db2.gz XWLBPTPLUYRXSX-SFHVURJKSA-N -1 0 506.580 3.934 50 10 KHCARM COc1cc([C@H](CC(=O)N2CCN(C)CC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc2c1OCO2 ZINC000217757203 571602621 /nfs/dbraw/zinc/60/26/21/571602621.db2.gz JPRYVLJWKNNBMN-IBGZPJMESA-N -1 0 574.586 3.610 50 10 KHCARM COc1cc([C@@H](CC(=O)N2CCN(C)CC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc2c1OCO2 ZINC000217757283 571602545 /nfs/dbraw/zinc/60/25/45/571602545.db2.gz JPRYVLJWKNNBMN-LJQANCHMSA-N -1 0 574.586 3.610 50 10 KHCARM COc1cc([C@H](CC(=O)N2CCN(C)CC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc(OC)c1O ZINC000217770876 571602598 /nfs/dbraw/zinc/60/25/98/571602598.db2.gz HQDLGSAMTUPRFQ-IBGZPJMESA-N -1 0 576.602 3.596 50 10 KHCARM COc1cc([C@@H](CC(=O)N2CCN(C)CC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc(OC)c1O ZINC000217770960 571602615 /nfs/dbraw/zinc/60/26/15/571602615.db2.gz HQDLGSAMTUPRFQ-LJQANCHMSA-N -1 0 576.602 3.596 50 10 KHCARM CN1CCN(C(=O)C[C@H](c2cccc(O)c2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000217771069 571602605 /nfs/dbraw/zinc/60/26/05/571602605.db2.gz YCCZNJVPCXNIFL-HXUWFJFHSA-N -1 0 516.550 3.578 50 10 KHCARM CN1CCN(C(=O)C[C@@H](c2cccc(O)c2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000217771139 571602584 /nfs/dbraw/zinc/60/25/84/571602584.db2.gz YCCZNJVPCXNIFL-FQEVSTJZSA-N -1 0 516.550 3.578 50 10 KHCARM COc1cc([C@H](CC(=O)N2CCOCC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc2c1OCO2 ZINC000217791087 1066514105 /nfs/dbraw/zinc/51/41/05/1066514105.db2.gz RJIXYSVXANPSMB-SFHVURJKSA-N -1 0 561.543 3.695 50 10 KHCARM COc1cc([C@@H](CC(=O)N2CCOCC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc2c1OCO2 ZINC000217791187 1066514177 /nfs/dbraw/zinc/51/41/77/1066514177.db2.gz RJIXYSVXANPSMB-GOSISDBHSA-N -1 0 561.543 3.695 50 10 KHCARM COc1ccc([C@H](CC(=O)N2CCOCC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc1OC ZINC000217804377 1066514309 /nfs/dbraw/zinc/51/43/09/1066514309.db2.gz DGGHZVYONZOBJD-IBGZPJMESA-N -1 0 547.560 3.975 50 10 KHCARM COc1ccc([C@@H](CC(=O)N2CCOCC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc1OC ZINC000217804458 1066514248 /nfs/dbraw/zinc/51/42/48/1066514248.db2.gz DGGHZVYONZOBJD-LJQANCHMSA-N -1 0 547.560 3.975 50 10 KHCARM COc1ccc([C@H](CC(=O)N2CCN(C)CC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)c(OC)c1OC ZINC000217811742 1066514293 /nfs/dbraw/zinc/51/42/93/1066514293.db2.gz PGDQNBVPRVICOF-FQEVSTJZSA-N -1 0 590.629 3.899 50 10 KHCARM COc1ccc([C@@H](CC(=O)N2CCN(C)CC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)c(OC)c1OC ZINC000217811814 1066514350 /nfs/dbraw/zinc/51/43/50/1066514350.db2.gz PGDQNBVPRVICOF-HXUWFJFHSA-N -1 0 590.629 3.899 50 10 KHCARM CN1CCN(C(=O)C[C@H](c2ccc3c(c2)OCO3)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000217828352 1066514413 /nfs/dbraw/zinc/51/44/13/1066514413.db2.gz GWSIMFXBBVKYKT-LJQANCHMSA-N -1 0 544.560 3.602 50 10 KHCARM CN1CCN(C(=O)C[C@@H](c2ccc3c(c2)OCO3)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000217828434 1066514982 /nfs/dbraw/zinc/51/49/82/1066514982.db2.gz GWSIMFXBBVKYKT-IBGZPJMESA-N -1 0 544.560 3.602 50 10 KHCARM COc1ccc([C@H](CC(=O)N2CCOCC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)c(OC)c1 ZINC000217829028 1066514873 /nfs/dbraw/zinc/51/48/73/1066514873.db2.gz LHIDRPBFYKMUQZ-FQEVSTJZSA-N -1 0 547.560 3.975 50 10 KHCARM COc1ccc([C@@H](CC(=O)N2CCOCC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)c(OC)c1 ZINC000217829107 1066514681 /nfs/dbraw/zinc/51/46/81/1066514681.db2.gz LHIDRPBFYKMUQZ-HXUWFJFHSA-N -1 0 547.560 3.975 50 10 KHCARM CN1CCN(C(=O)C[C@@H](c2coc3ccccc3c2=O)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000217857261 1066514734 /nfs/dbraw/zinc/51/47/34/1066514734.db2.gz GISAJDWORJQDST-FQEVSTJZSA-N -1 0 568.582 3.979 50 10 KHCARM CN1CCN(C(=O)C[C@H](c2coc3ccccc3c2=O)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000217857326 1066515060 /nfs/dbraw/zinc/51/50/60/1066515060.db2.gz GISAJDWORJQDST-HXUWFJFHSA-N -1 0 568.582 3.979 50 10 KHCARM O=C(C[C@H](c1cc2ccccc2[nH]c1=O)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2)N1CCOCC1 ZINC000217858120 1066515023 /nfs/dbraw/zinc/51/50/23/1066515023.db2.gz AOGBJFLHOVZRKQ-LJQANCHMSA-N -1 0 554.555 3.799 50 10 KHCARM O=C(C[C@@H](c1cc2ccccc2[nH]c1=O)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2)N1CCOCC1 ZINC000217858199 1066514818 /nfs/dbraw/zinc/51/48/18/1066514818.db2.gz AOGBJFLHOVZRKQ-IBGZPJMESA-N -1 0 554.555 3.799 50 10 KHCARM CN1CCN(C(=O)C[C@H](c2cc3ccccc3[nH]c2=O)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000217858482 1066514707 /nfs/dbraw/zinc/51/47/07/1066514707.db2.gz UFCZDRHDIRELMI-HXUWFJFHSA-N -1 0 567.598 3.714 50 10 KHCARM CN1CCN(C(=O)C[C@@H](c2cc3ccccc3[nH]c2=O)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000217858553 1066514775 /nfs/dbraw/zinc/51/47/75/1066514775.db2.gz UFCZDRHDIRELMI-FQEVSTJZSA-N -1 0 567.598 3.714 50 10 KHCARM COc1cc([C@H](CC(=O)N2CCOCC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc(OC)c1O ZINC000217873329 1066515073 /nfs/dbraw/zinc/51/50/73/1066515073.db2.gz LIXCMPUAOIPFMC-SFHVURJKSA-N -1 0 563.559 3.680 50 10 KHCARM COc1cc([C@@H](CC(=O)N2CCOCC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc(OC)c1O ZINC000217873421 1066515040 /nfs/dbraw/zinc/51/50/40/1066515040.db2.gz LIXCMPUAOIPFMC-GOSISDBHSA-N -1 0 563.559 3.680 50 10 KHCARM COc1cccc([C@H](CC(=O)N2CCN(C)CC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)c1 ZINC000217880249 1066515101 /nfs/dbraw/zinc/51/51/01/1066515101.db2.gz OCJOSHCWTOQTMG-NRFANRHFSA-N -1 0 530.577 3.881 50 10 KHCARM COc1cccc([C@@H](CC(=O)N2CCN(C)CC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)c1 ZINC000217880332 1066514848 /nfs/dbraw/zinc/51/48/48/1066514848.db2.gz OCJOSHCWTOQTMG-OAQYLSRUSA-N -1 0 530.577 3.881 50 10 KHCARM COc1cc([C@H](CC(=O)N2CCOCC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)ccc1O ZINC000217899384 1066515468 /nfs/dbraw/zinc/51/54/68/1066515468.db2.gz VFNJICNZYKDOCP-SFHVURJKSA-N -1 0 533.533 3.672 50 10 KHCARM COc1cc([C@@H](CC(=O)N2CCOCC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)ccc1O ZINC000217899475 1066515414 /nfs/dbraw/zinc/51/54/14/1066515414.db2.gz VFNJICNZYKDOCP-GOSISDBHSA-N -1 0 533.533 3.672 50 10 KHCARM COc1ccc([C@H](CC(=O)N2CCOCC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc1 ZINC000217908102 1066515591 /nfs/dbraw/zinc/51/55/91/1066515591.db2.gz SFIUKFRMFWTQMI-FQEVSTJZSA-N -1 0 517.534 3.966 50 10 KHCARM COc1ccc([C@@H](CC(=O)N2CCOCC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc1 ZINC000217908184 1066515450 /nfs/dbraw/zinc/51/54/50/1066515450.db2.gz SFIUKFRMFWTQMI-HXUWFJFHSA-N -1 0 517.534 3.966 50 10 KHCARM CN1CCN(C(=O)C[C@H](c2ccccc2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000217908294 1066515491 /nfs/dbraw/zinc/51/54/91/1066515491.db2.gz NMBCLOLTTOKAKA-HXUWFJFHSA-N -1 0 500.551 3.873 50 10 KHCARM CN1CCN(C(=O)C[C@@H](c2ccccc2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000217908370 1066515397 /nfs/dbraw/zinc/51/53/97/1066515397.db2.gz NMBCLOLTTOKAKA-FQEVSTJZSA-N -1 0 500.551 3.873 50 10 KHCARM COc1ccc2[nH]c(=O)c([C@H](CC(=O)N3CCOCC3)c3c(=O)c(O)c([O-])c4c(O)cc(-c5ccccc5)oc3-4)cc2c1 ZINC000217919099 1066515511 /nfs/dbraw/zinc/51/55/11/1066515511.db2.gz LIPVJYNUWNICAO-FQEVSTJZSA-N -1 0 584.581 3.808 50 10 KHCARM COc1ccc2[nH]c(=O)c([C@@H](CC(=O)N3CCOCC3)c3c(=O)c(O)c([O-])c4c(O)cc(-c5ccccc5)oc3-4)cc2c1 ZINC000217919188 1066515533 /nfs/dbraw/zinc/51/55/33/1066515533.db2.gz LIPVJYNUWNICAO-HXUWFJFHSA-N -1 0 584.581 3.808 50 10 KHCARM COc1cc([C@H](CC(=O)N2CCN(C)CC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc(OC)c1OC ZINC000217929715 1066515553 /nfs/dbraw/zinc/51/55/53/1066515553.db2.gz SQXFFIQGIRBZQZ-FQEVSTJZSA-N -1 0 590.629 3.899 50 10 KHCARM COc1cc([C@@H](CC(=O)N2CCN(C)CC2)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc(OC)c1OC ZINC000217929800 1066515582 /nfs/dbraw/zinc/51/55/82/1066515582.db2.gz SQXFFIQGIRBZQZ-HXUWFJFHSA-N -1 0 590.629 3.899 50 10 KHCARM O=C(C[C@H](c1ccc(OC(F)(F)F)cc1)c1c([O-])nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 ZINC000218374101 571603772 /nfs/dbraw/zinc/60/37/72/571603772.db2.gz QJUIAQBWQMAJFS-GOSISDBHSA-N -1 0 529.471 3.591 50 10 KHCARM O=C(C[C@@H](c1ccc(OC(F)(F)F)cc1)c1c([O-])nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 ZINC000218374180 571603710 /nfs/dbraw/zinc/60/37/10/571603710.db2.gz QJUIAQBWQMAJFS-SFHVURJKSA-N -1 0 529.471 3.591 50 10 KHCARM COc1ccc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(=O)nc3ccccn3c2[O-])c2ccccc12 ZINC000230465215 572186282 /nfs/dbraw/zinc/18/62/82/572186282.db2.gz ULPSGKSLVJBZFF-JOCHJYFZSA-N -1 0 525.561 3.854 50 10 KHCARM COc1ccc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(=O)nc3ccccn3c2[O-])c2ccccc12 ZINC000230465254 572186428 /nfs/dbraw/zinc/18/64/28/572186428.db2.gz ULPSGKSLVJBZFF-QFIPXVFZSA-N -1 0 525.561 3.854 50 10 KHCARM O=C(C[C@@H](c1ccc(OC(F)(F)F)cc1)c1c(=O)nc2ccccn2c1[O-])NCCc1ccc(O)c(O)c1 ZINC000230485617 572186359 /nfs/dbraw/zinc/18/63/59/572186359.db2.gz MYCRYHRSFFVMPP-SFHVURJKSA-N -1 0 529.471 3.591 50 10 KHCARM O=C(C[C@H](c1ccc(OC(F)(F)F)cc1)c1c(=O)nc2ccccn2c1[O-])NCCc1ccc(O)c(O)c1 ZINC000230485659 572186337 /nfs/dbraw/zinc/18/63/37/572186337.db2.gz MYCRYHRSFFVMPP-GOSISDBHSA-N -1 0 529.471 3.591 50 10 KHCARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)C[C@@H]1SC(N2N=C(c3ccc(O)cc3)C[C@H]2c2ccccc2)=NC1=O ZINC000252498799 572261871 /nfs/dbraw/zinc/26/18/71/572261871.db2.gz RLNLCKHJWXUTPU-DSITVLBTSA-N -1 0 542.617 3.744 50 10 KHCARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)C[C@@H]1SC(N2N=C(c3ccc(O)cc3)C[C@@H]2c2ccccc2)=NC1=O ZINC000252498800 572261841 /nfs/dbraw/zinc/26/18/41/572261841.db2.gz RLNLCKHJWXUTPU-GVAUOCQISA-N -1 0 542.617 3.744 50 10 KHCARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)C[C@@H]1SC(N2N=C(c3ccc(O)cc3)C[C@H]2c2ccccc2)=NC1=O ZINC000252498801 572261900 /nfs/dbraw/zinc/26/19/00/572261900.db2.gz RLNLCKHJWXUTPU-SDHOMARFSA-N -1 0 542.617 3.744 50 10 KHCARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)C[C@@H]1SC(N2N=C(c3ccc(O)cc3)C[C@@H]2c2ccccc2)=NC1=O ZINC000252498802 572261816 /nfs/dbraw/zinc/26/18/16/572261816.db2.gz RLNLCKHJWXUTPU-SDHSZQHLSA-N -1 0 542.617 3.744 50 10 KHCARM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252667913 572273793 /nfs/dbraw/zinc/27/37/93/572273793.db2.gz DOCCKRGDBKLDJK-HHHXNRCGSA-N -1 0 571.655 3.913 50 10 KHCARM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252667915 572273804 /nfs/dbraw/zinc/27/38/04/572273804.db2.gz DOCCKRGDBKLDJK-MHZLTWQESA-N -1 0 571.655 3.913 50 10 KHCARM CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000252669970 572275455 /nfs/dbraw/zinc/27/54/55/572275455.db2.gz JDIIUSBKJMCEOS-AREMUKBSSA-N -1 0 557.628 3.823 50 10 KHCARM CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000252669971 572275436 /nfs/dbraw/zinc/27/54/36/572275436.db2.gz JDIIUSBKJMCEOS-SANMLTNESA-N -1 0 557.628 3.823 50 10 KHCARM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000252671590 572276974 /nfs/dbraw/zinc/27/69/74/572276974.db2.gz NRNAUNILJRBQMG-MUUNZHRXSA-N -1 0 601.681 3.921 50 10 KHCARM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000252671591 572276943 /nfs/dbraw/zinc/27/69/43/572276943.db2.gz NRNAUNILJRBQMG-NDEPHWFRSA-N -1 0 601.681 3.921 50 10 KHCARM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000252676068 572279788 /nfs/dbraw/zinc/27/97/88/572279788.db2.gz VXGGCCBFYKUIBR-HHHXNRCGSA-N -1 0 571.655 3.913 50 10 KHCARM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000252676069 572279703 /nfs/dbraw/zinc/27/97/03/572279703.db2.gz VXGGCCBFYKUIBR-MHZLTWQESA-N -1 0 571.655 3.913 50 10 KHCARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409268152 1066196075 /nfs/dbraw/zinc/19/60/75/1066196075.db2.gz QQZDRWMSQRDGND-BKUYFWCQSA-N -1 0 515.522 3.702 50 10 KHCARM COc1ccc2c3c(n(NC(=O)c4c(=O)[nH]c5ccccc5c4[O-])c(=O)c2c1OC)-c1ccccc1C3=O ZINC000824764617 1066512670 /nfs/dbraw/zinc/51/26/70/1066512670.db2.gz MWOBKSCEFXSCSH-UHFFFAOYSA-N -1 0 509.474 3.573 50 10 KHCARM