smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c([O-])c(Br)c3)C2=O)cc1 ZINC000408740135 570031815 /nfs/dbraw/zinc/03/18/15/570031815.db2.gz IRHXWWHSDAKINI-WUXMJOGZSA-N -1 2 496.111 3.592 40 10 JHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408937115 570081739 /nfs/dbraw/zinc/08/17/39/570081739.db2.gz HZXRGJOQDULZJE-UDWIEESQSA-N -1 2 490.443 3.778 40 10 JHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000409018702 570102309 /nfs/dbraw/zinc/10/23/09/570102309.db2.gz XTZAMLCOYMHNOV-JLATVTFTSA-N -1 2 479.272 3.520 40 10 JHCBLM O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000409070877 570118229 /nfs/dbraw/zinc/11/82/29/570118229.db2.gz PFVWFMCLOLBHRZ-UUILKARUSA-N -1 2 469.664 3.777 40 10 JHCBLM C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)ccc21 ZINC000409196508 570163736 /nfs/dbraw/zinc/16/37/36/570163736.db2.gz ZWLNANNAKLGLCU-PBSOMRJOSA-N -1 2 482.290 3.716 40 10 JHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000408902520 570069457 /nfs/dbraw/zinc/06/94/57/570069457.db2.gz IXPXRDCAGJOFSI-UDWIEESQSA-N -1 2 490.443 3.778 40 10 JHCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(C(=O)[O-])cc3)C2=O)c(OCC)c1 ZINC000408930703 570079782 /nfs/dbraw/zinc/07/97/82/570079782.db2.gz AYOVSXUXMAKBFG-XSFVSMFZSA-N -1 2 489.484 3.639 40 10 JHCBLM CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000408983931 570091593 /nfs/dbraw/zinc/09/15/93/570091593.db2.gz ONOXRHCPGHDVFK-NSIKDUERSA-N -1 2 493.299 3.830 40 10 JHCBLM O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000409067492 570117055 /nfs/dbraw/zinc/11/70/55/570117055.db2.gz QZSONUMBFGMNMJ-UDWIEESQSA-N -1 2 492.871 3.989 40 10 JHCBLM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 ZINC000100790057 569770061 /nfs/dbraw/zinc/77/00/61/569770061.db2.gz LSCJCAMSAXFPGW-WHEOYJBGSA-N -1 2 463.523 3.769 40 10 JHCBLM O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)c3ccccc32)o1 ZINC000408544464 570192542 /nfs/dbraw/zinc/19/25/42/570192542.db2.gz WFJBUNWZJRFHJN-GZTJUZNOSA-N -1 2 473.416 3.786 40 10 JHCBLM O=C([O-])c1ccc(-n2cccc2/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1 ZINC000009265509 555041693 /nfs/dbraw/zinc/04/16/93/555041693.db2.gz SQESOAPZUXJITH-PDGQHHTCSA-N -1 2 480.274 3.604 40 10 JHCBLM COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1OCc1cccc(C(=O)[O-])c1 ZINC000408902559 570069436 /nfs/dbraw/zinc/06/94/36/570069436.db2.gz JXLLCBLSLPKLCD-DEDYPNTBSA-N -1 2 490.443 3.778 40 10 JHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408942947 570083083 /nfs/dbraw/zinc/08/30/83/570083083.db2.gz REUNENLUPXOIDH-FYJGNVAPSA-N -1 2 486.480 3.947 40 10 JHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000409055827 570111742 /nfs/dbraw/zinc/11/17/42/570111742.db2.gz JSKNVSUGLQYKMO-NTUHNPAUSA-N -1 2 493.299 3.830 40 10 JHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000409056422 570111961 /nfs/dbraw/zinc/11/19/61/570111961.db2.gz MBJKXPQZJAKUQM-MKMNVTDBSA-N -1 2 493.299 3.830 40 10 JHCBLM CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC)c(C(=O)[O-])c3)C2=O)cc1OCC ZINC000409209434 570168692 /nfs/dbraw/zinc/16/86/92/570168692.db2.gz BORZGCJLKOCDJU-QGOAFFKASA-N -1 2 482.489 3.637 40 10 JHCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])c(Br)c3)C2=O)cc1Cl ZINC000016312842 556134947 /nfs/dbraw/zinc/13/49/47/556134947.db2.gz CJQWRIKCHFJSMG-MLPAPPSSSA-N -1 2 493.697 3.541 40 10 JHCBLM Cc1nnc(NS(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(-c4ccccc4)c3=O)cc2)s1 ZINC000100789905 569770015 /nfs/dbraw/zinc/77/00/15/569770015.db2.gz YELXRFXLPAPXNK-SIUCFOQUSA-N -1 2 455.525 3.522 40 10 JHCBLM Cc1nnc(NS(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(-c4ccccc4)c3=O)cc2)s1 ZINC000104090803 569840741 /nfs/dbraw/zinc/84/07/41/569840741.db2.gz YELXRFXLPAPXNK-NFFVOIMASA-N -1 2 455.525 3.522 40 10 JHCBLM O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1 ZINC000408851570 570055715 /nfs/dbraw/zinc/05/57/15/570055715.db2.gz CYSGCRLRLPWWGU-UDWIEESQSA-N -1 2 460.417 3.769 40 10 JHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCC ZINC000408936405 570081529 /nfs/dbraw/zinc/08/15/29/570081529.db2.gz GBZXHSYAFPYECU-OQLLNIDSSA-N -1 2 458.854 3.502 40 10 JHCBLM COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)C2=O)cc1 ZINC000409069913 570117801 /nfs/dbraw/zinc/11/78/01/570117801.db2.gz BNIPEPJNFSGCNW-HYARGMPZSA-N -1 2 472.453 3.639 40 10 JHCBLM COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1O[C@H](C)C(=O)[O-] ZINC000409220675 570174110 /nfs/dbraw/zinc/17/41/10/570174110.db2.gz DDVSTOAXKNHJPC-SEEODLKFSA-N -1 2 479.272 3.520 40 10 JHCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408910839 570072554 /nfs/dbraw/zinc/07/25/54/570072554.db2.gz LJDFGUYTIQXPFE-RGVLZGJSSA-N -1 2 461.449 3.906 40 10 JHCBLM COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1OCc1cccc(C(=O)[O-])c1 ZINC000408914935 570074911 /nfs/dbraw/zinc/07/49/11/570074911.db2.gz RXNFCBRDQWSLSG-UDWIEESQSA-N -1 2 490.443 3.778 40 10 JHCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1 ZINC000408942921 570083062 /nfs/dbraw/zinc/08/30/62/570083062.db2.gz REEZBVDMLWIWEO-FYJGNVAPSA-N -1 2 460.417 3.769 40 10 JHCBLM Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2ccc(OCC(=O)[O-])c(Cl)c2)C1=O ZINC000059250206 195396166 /nfs/dbraw/zinc/39/61/66/195396166.db2.gz JDQIVAGNMWZOBN-NTUHNPAUSA-N -1 2 493.697 3.541 40 10 JHCBLM CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000408934463 570081057 /nfs/dbraw/zinc/08/10/57/570081057.db2.gz AXYROGOLTNDGTN-MHWRWJLKSA-N -1 2 472.881 3.892 40 10 JHCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3F)C2=O)cc1 ZINC000408942356 570082922 /nfs/dbraw/zinc/08/29/22/570082922.db2.gz QKPUJEKGQJESJW-CPNJWEJPSA-N -1 2 460.417 3.769 40 10 JHCBLM O=C([O-])COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409046100 570108632 /nfs/dbraw/zinc/10/86/32/570108632.db2.gz INDQCVPMQMYCIN-WUXMJOGZSA-N -1 2 469.664 3.777 40 10 JHCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000409237410 570180342 /nfs/dbraw/zinc/18/03/42/570180342.db2.gz UILDTDHBGDKSLH-GIJQJNRQSA-N -1 2 464.865 3.507 40 10 JHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000409020769 570102820 /nfs/dbraw/zinc/10/28/20/570102820.db2.gz TTWBNVLREUFRFE-MJWAUXSNSA-N -1 2 479.272 3.520 40 10 JHCBLM O=C([O-])c1ccc(COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2)cc1 ZINC000409075365 570119839 /nfs/dbraw/zinc/11/98/39/570119839.db2.gz XMPQHHUQVIIKPA-BKUYFWCQSA-N -1 2 460.417 3.769 40 10 JHCBLM COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000012381044 555969693 /nfs/dbraw/zinc/96/96/93/555969693.db2.gz CYSZFYWXGOXELG-BNDQCTAISA-N -1 2 479.272 3.520 40 10 JHCBLM CCCCC(=O)Nc1ccc(S(=O)(=O)[O-])c(N=N[C@@H]2C(=O)N(c3ccccc3)N=C2C)c1 ZINC000104205722 569843081 /nfs/dbraw/zinc/84/30/81/569843081.db2.gz YJMLQEMPMUOIKW-NVWMPKGRSA-N -1 2 457.512 3.937 40 10 JHCBLM COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)c(OC)c1 ZINC000408962895 570086624 /nfs/dbraw/zinc/08/66/24/570086624.db2.gz VRUSYHOOMNWRHS-WOJGMQOQSA-N -1 2 476.441 3.637 40 10 JHCBLM O=C([O-])c1ccc(COc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)c2)cc1 ZINC000409073277 570119095 /nfs/dbraw/zinc/11/90/95/570119095.db2.gz GREXLSJAHCXYHI-MTJSOVHGSA-N -1 2 487.424 3.538 40 10 JHCBLM COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409187427 570160876 /nfs/dbraw/zinc/16/08/76/570160876.db2.gz QFQCEWUNWOHBFG-XSFVSMFZSA-N -1 2 486.480 3.947 40 10 JHCBLM CC[NH2+]c1ccc(NN=C2C(=O)c3c(O)cc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])cc1 ZINC000004366940 520278800 /nfs/dbraw/zinc/27/88/00/520278800.db2.gz NYGXIUUDFXQSGG-QZQOTICOSA-N -1 2 467.481 3.592 40 10 JHCBLM CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000015012511 520628714 /nfs/dbraw/zinc/62/87/14/520628714.db2.gz MHZLNSBLNMVXKA-DHDCSXOGSA-N -1 2 489.278 3.818 40 10 JHCBLM O=C([O-])c1cccc(COc2c(Cl)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2[N+](=O)[O-])c1 ZINC000107722700 569857143 /nfs/dbraw/zinc/85/71/43/569857143.db2.gz XWHHEMAXCPMAKM-ZDLGFXPLSA-N -1 2 493.859 3.987 40 10 JHCBLM Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000408936420 570081577 /nfs/dbraw/zinc/08/15/77/570081577.db2.gz GFALNGNXUMIJOJ-KGENOOAVSA-N -1 2 456.454 3.939 40 10 JHCBLM Cc1cc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)c(C(=O)[O-])c3)C2=O)ccc1Br ZINC000408532490 570188547 /nfs/dbraw/zinc/18/85/47/570188547.db2.gz MWGZTGMGUNQHCO-MDWZMJQESA-N -1 2 478.686 3.688 40 10 JHCBLM O=C1[C@@H](N=Nc2ccc(S(=O)(=O)[O-])cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1 ZINC000020523061 527103022 /nfs/dbraw/zinc/10/30/22/527103022.db2.gz OVCFYTGZRGJZBK-UTTYWZDOSA-N -1 2 465.447 3.745 40 10 JHCBLM Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000014133105 555700628 /nfs/dbraw/zinc/70/06/28/555700628.db2.gz ANBATELZPUUWBR-XSFVSMFZSA-N -1 2 456.454 3.939 40 10 JHCBLM COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1OCc1cccc(C(=O)[O-])c1 ZINC000408897949 570067528 /nfs/dbraw/zinc/06/75/28/570067528.db2.gz JUFVVLDUYMCMTP-KGENOOAVSA-N -1 2 486.480 3.947 40 10 JHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccccc1F ZINC000408945157 570083425 /nfs/dbraw/zinc/08/34/25/570083425.db2.gz WBVMWARFAFVJKA-XDHOZWIPSA-N -1 2 490.443 3.778 40 10 JHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000409018704 570102299 /nfs/dbraw/zinc/10/22/99/570102299.db2.gz XTZAMLCOYMHNOV-SRMXYGTFSA-N -1 2 479.272 3.520 40 10 JHCBLM CCCCC(=O)Nc1ccc(S(=O)(=O)[O-])c(N=N[C@H]2C(=O)N(c3ccccc3)N=C2C)c1 ZINC000104205714 569843066 /nfs/dbraw/zinc/84/30/66/569843066.db2.gz YJMLQEMPMUOIKW-LRVSTDGRSA-N -1 2 457.512 3.937 40 10 JHCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)cc3)C2=O)cc1 ZINC000408937021 570081625 /nfs/dbraw/zinc/08/16/25/570081625.db2.gz HMKZXUFTLHQWSQ-FYJGNVAPSA-N -1 2 460.417 3.769 40 10 JHCBLM COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCc4ccc(C(=O)[O-])cc4)c3)C2=O)cc1 ZINC000409067565 570117048 /nfs/dbraw/zinc/11/70/48/570117048.db2.gz FIGCCZGPFOHKJV-HMAPJEAMSA-N -1 2 472.453 3.639 40 10 JHCBLM O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000409104412 570129620 /nfs/dbraw/zinc/12/96/20/570129620.db2.gz ZIJDJIFZTHFAAX-LDADJPATSA-N -1 2 480.274 3.604 40 10 JHCBLM C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)ccc21 ZINC000409190167 570161606 /nfs/dbraw/zinc/16/16/06/570161606.db2.gz LVHZDUNRJVQCLD-VAKHEIKFSA-N -1 2 482.290 3.716 40 10 JHCBLM COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1O[C@H](C)C(=O)[O-] ZINC000409253551 570186547 /nfs/dbraw/zinc/18/65/47/570186547.db2.gz ZOXVGWVIRJUHQH-SEEODLKFSA-N -1 2 479.272 3.520 40 10 JHCBLM COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000059135238 195390090 /nfs/dbraw/zinc/39/00/90/195390090.db2.gz FGTPILSCYSNCPY-AWNIVKPZSA-N -1 2 493.241 3.567 40 10 JHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000409044435 570108252 /nfs/dbraw/zinc/10/82/52/570108252.db2.gz CVKFGHIARHUPTQ-KPKJPENVSA-N -1 2 479.272 3.522 40 10 JHCBLM CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2cc(C(=O)[O-])ccc2C)C1=O ZINC000408531656 570188087 /nfs/dbraw/zinc/18/80/87/570188087.db2.gz LAUFLNMWMHXRCC-XNTDXEJSSA-N -1 2 472.295 3.597 40 10 JHCBLM COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4)c(C(=O)[O-])c3)C2=O)cc1 ZINC000409040049 570107326 /nfs/dbraw/zinc/10/73/26/570107326.db2.gz FJMRXLUOCASNBN-STZFKDTASA-N -1 2 472.453 3.639 40 10 JHCBLM O=C([O-])COc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O ZINC000059135669 195390712 /nfs/dbraw/zinc/39/07/12/195390712.db2.gz WCTYAYJBJCDFBW-RIYZIHGNSA-N -1 2 463.215 3.558 40 10 JHCBLM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 ZINC000104090808 569840745 /nfs/dbraw/zinc/84/07/45/569840745.db2.gz LSCJCAMSAXFPGW-RGCCPRADSA-N -1 2 463.523 3.769 40 10 JHCBLM CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Br ZINC000408942900 570083048 /nfs/dbraw/zinc/08/30/48/570083048.db2.gz RDERLTOREBKBAR-XNTDXEJSSA-N -1 2 473.279 3.603 40 10 JHCBLM Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2cccn2-c2ccc(C(=O)[O-])cc2)C1=O ZINC000409230354 570177563 /nfs/dbraw/zinc/17/75/63/570177563.db2.gz YLXAYEUCQOUZTH-LDADJPATSA-N -1 2 494.301 3.913 40 10 JHCBLM O=C([O-])c1cccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1 ZINC000408902543 570069463 /nfs/dbraw/zinc/06/94/63/570069463.db2.gz JLLQGSPRQHDTON-DEDYPNTBSA-N -1 2 460.417 3.769 40 10 JHCBLM CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000408936445 570081572 /nfs/dbraw/zinc/08/15/72/570081572.db2.gz GKVSADZAWBSRBK-OQLLNIDSSA-N -1 2 458.854 3.502 40 10 JHCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=O)cc1 ZINC000408939401 570082333 /nfs/dbraw/zinc/08/23/33/570082333.db2.gz MKBQYIJAVUXRGW-DEDYPNTBSA-N -1 2 460.417 3.769 40 10 JHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000409020770 570102837 /nfs/dbraw/zinc/10/28/37/570102837.db2.gz TTWBNVLREUFRFE-ZDIKFAODSA-N -1 2 479.272 3.520 40 10 JHCBLM CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C(=O)[O-])ccc3OCC)C2=O)cc1OCC ZINC000409203897 570166593 /nfs/dbraw/zinc/16/65/93/570166593.db2.gz YYOGAGMJWZMDLQ-QGOAFFKASA-N -1 2 482.489 3.637 40 10 JHCBLM COc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C2=O)cc1 ZINC000009265494 555041593 /nfs/dbraw/zinc/04/15/93/555041593.db2.gz OLBBIYHSQCOBGD-NDENLUEZSA-N -1 2 485.452 3.656 40 10 JHCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(ccn4[C@@H](C)C(=O)[O-])c3)C2=O)c(OCC)c1 ZINC000409191208 570161982 /nfs/dbraw/zinc/16/19/82/570161982.db2.gz DIZZDGIMLNTBFJ-SJPXOZHESA-N -1 2 491.500 3.751 40 10 JHCBLM Cc1[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1NN=C1C=C([N+](=O)[O-])C=C(Cl)C1=O ZINC000004280969 527532355 /nfs/dbraw/zinc/53/23/55/527532355.db2.gz RXBSMELZKWYFCU-VHEBQXMUSA-N -1 2 453.820 3.816 40 10 JHCBLM CCCCC(=O)Nc1ccc(S(=O)(=O)[O-])c(N=N[C@@H]2C(=O)N(c3ccccc3)N=C2C)c1 ZINC000104205726 569843072 /nfs/dbraw/zinc/84/30/72/569843072.db2.gz YJMLQEMPMUOIKW-TWMRLEJJSA-N -1 2 457.512 3.937 40 10 JHCBLM COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000209565554 569876000 /nfs/dbraw/zinc/87/60/00/569876000.db2.gz URVBRNJJJHNKGS-MOSHPQCFSA-N -1 2 486.480 3.947 40 10 JHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000408807362 570048066 /nfs/dbraw/zinc/04/80/66/570048066.db2.gz CBQAKPVTJMGAPV-DEDYPNTBSA-N -1 2 472.453 3.639 40 10 JHCBLM Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cc(Br)ccc2OCC(=O)[O-])C1=O ZINC000409057708 570112578 /nfs/dbraw/zinc/11/25/78/570112578.db2.gz QJLXZSNAECVNHN-MDWZMJQESA-N -1 2 493.697 3.541 40 10 JHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccccc1 ZINC000408944179 570083316 /nfs/dbraw/zinc/08/33/16/570083316.db2.gz TWYMSLLJKCVIRZ-DEDYPNTBSA-N -1 2 472.453 3.639 40 10 JHCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCC(=O)[O-])C2=O)cc1Cl ZINC000408990159 570093729 /nfs/dbraw/zinc/09/37/29/570093729.db2.gz MZOLAPSMYGPJQD-AUWJEWJLSA-N -1 2 493.697 3.541 40 10 JHCBLM COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409186396 570160762 /nfs/dbraw/zinc/16/07/62/570160762.db2.gz BNTCTUNELKGTJJ-XSFVSMFZSA-N -1 2 472.453 3.639 40 10 JHCBLM COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409187419 570160860 /nfs/dbraw/zinc/16/08/60/570160860.db2.gz QDZOORPVDZYAGE-KGENOOAVSA-N -1 2 486.480 3.947 40 10 JHCBLM C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)ccc21 ZINC000409190168 570161642 /nfs/dbraw/zinc/16/16/42/570161642.db2.gz LVHZDUNRJVQCLD-YXHQGMJNSA-N -1 2 482.290 3.716 40 10 JHCBLM O=C([O-])c1ccc(COc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000033397414 569625784 /nfs/dbraw/zinc/62/57/84/569625784.db2.gz AYRSIKXZJAWXNV-ODLFYWEKSA-N -1 2 493.859 3.987 40 10 JHCBLM Nc1c(/N=N\c2ccc(S(=O)(=O)Nc3cnccn3)cc2)cc(S(=O)(=O)[O-])c2ccccc12 ZINC000104344381 569845158 /nfs/dbraw/zinc/84/51/58/569845158.db2.gz BEWGDLLEHCQFHG-IZHYLOQSSA-N -1 2 484.519 3.675 40 10 JHCBLM O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408962732 570086547 /nfs/dbraw/zinc/08/65/47/570086547.db2.gz UBDVRMSTUFEAGE-LDADJPATSA-N -1 2 480.274 3.604 40 10 JHCBLM CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccccc4C(=O)[O-])c3C)C2=O)c1 ZINC000409208853 570168500 /nfs/dbraw/zinc/16/85/00/570168500.db2.gz DRJXMUYSAGKKBK-FYJGNVAPSA-N -1 2 473.485 3.857 40 10 JHCBLM COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1O[C@H](C)C(=O)[O-] ZINC000409243803 570183222 /nfs/dbraw/zinc/18/32/22/570183222.db2.gz UNSYAXQQUNEKQQ-QSARLWQPSA-N -1 2 479.272 3.520 40 10 JHCBLM Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c([O-])c(Br)c3)C2=O)c1 ZINC000408742262 570032556 /nfs/dbraw/zinc/03/25/56/570032556.db2.gz VRFZNABSJMDALB-WUXMJOGZSA-N -1 2 480.112 3.892 40 10 JHCBLM Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2cccn2-c2cccc(C(=O)[O-])c2)C1=O ZINC000409083482 570122319 /nfs/dbraw/zinc/12/23/19/570122319.db2.gz AURHSPXZUDMVNM-LDADJPATSA-N -1 2 494.301 3.913 40 10 JHCBLM COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409186575 570160704 /nfs/dbraw/zinc/16/07/04/570160704.db2.gz DYQXOXSYHSEKMB-KGENOOAVSA-N -1 2 486.480 3.947 40 10 JHCBLM COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1O[C@@H](C)C(=O)[O-] ZINC000409220676 570174196 /nfs/dbraw/zinc/17/41/96/570174196.db2.gz DDVSTOAXKNHJPC-XNFYSYIQSA-N -1 2 479.272 3.520 40 10 JHCBLM Nc1c(/N=N/c2ccc(S(=O)(=O)Nc3cnccn3)cc2)cc(S(=O)(=O)[O-])c2ccccc12 ZINC000004522192 194391549 /nfs/dbraw/zinc/39/15/49/194391549.db2.gz BEWGDLLEHCQFHG-OCOZRVBESA-N -1 2 484.519 3.675 40 10 JHCBLM O=C([O-])COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000059249488 195396036 /nfs/dbraw/zinc/39/60/36/195396036.db2.gz ZSAOSTRPSZVYES-VZUCSPMQSA-N -1 2 469.664 3.777 40 10 JHCBLM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 ZINC000043450373 520897017 /nfs/dbraw/zinc/89/70/17/520897017.db2.gz LSCJCAMSAXFPGW-JMSHBIQUSA-N -1 2 463.523 3.769 40 10 JHCBLM CCCCC(=O)Nc1ccc(S(=O)(=O)[O-])c(N=N[C@H]2C(=O)N(c3ccccc3)N=C2C)c1 ZINC000104205718 569843129 /nfs/dbraw/zinc/84/31/29/569843129.db2.gz YJMLQEMPMUOIKW-BBJJLJPOSA-N -1 2 457.512 3.937 40 10 JHCBLM CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000408938054 570081918 /nfs/dbraw/zinc/08/19/18/570081918.db2.gz KGSCENLHUCNIJO-LFIBNONCSA-N -1 2 473.279 3.603 40 10 JHCBLM COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1O[C@@H](C)C(=O)[O-] ZINC000409253552 570186506 /nfs/dbraw/zinc/18/65/06/570186506.db2.gz ZOXVGWVIRJUHQH-XNFYSYIQSA-N -1 2 479.272 3.520 40 10 JHCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C2=O)cc1 ZINC000408541223 570191602 /nfs/dbraw/zinc/19/16/02/570191602.db2.gz CBMOKLVWJHVQRD-UDWIEESQSA-N -1 2 469.453 3.956 40 10 JHCBLM O=S(=O)(Nc1nccs1)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000019593671 452922403 /nfs/dbraw/zinc/92/24/03/452922403.db2.gz UXOAPJWFFCGMFD-UHFFFAOYSA-N -1 2 480.376 3.757 40 10 JHCBLM O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000408776411 570040324 /nfs/dbraw/zinc/04/03/24/570040324.db2.gz OFPSCEFKWRTQLG-MHWRWJLKSA-N -1 2 453.794 3.880 40 10 JHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000409046029 570108690 /nfs/dbraw/zinc/10/86/90/570108690.db2.gz HYZDQXSYGOAFKA-MKMNVTDBSA-N -1 2 479.272 3.522 40 10 JHCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(ccn4[C@H](C)C(=O)[O-])c3)C2=O)c(OCC)c1 ZINC000409191207 570162008 /nfs/dbraw/zinc/16/20/08/570162008.db2.gz DIZZDGIMLNTBFJ-DQPIFXJKSA-N -1 2 491.500 3.751 40 10 JHCBLM CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1=O ZINC000409245460 570183972 /nfs/dbraw/zinc/18/39/72/570183972.db2.gz TZPMIHQVQQTBGG-XSFVSMFZSA-N -1 2 473.485 3.857 40 10 JHCBLM COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000059135256 195390024 /nfs/dbraw/zinc/39/00/24/195390024.db2.gz ZTJFLANXJPSDFM-AWNIVKPZSA-N -1 2 493.241 3.567 40 10 JHCBLM COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C2=O)cc1 ZINC000408785345 570042885 /nfs/dbraw/zinc/04/28/85/570042885.db2.gz YPKGRTUTCFMQDD-HYARGMPZSA-N -1 2 472.453 3.639 40 10 JHCBLM C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)ccc21 ZINC000409196507 570163729 /nfs/dbraw/zinc/16/37/29/570163729.db2.gz ZWLNANNAKLGLCU-OOIIIRTPSA-N -1 2 482.290 3.716 40 10 JHCBLM CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])c(OCC)c3)C2=O)c1 ZINC000059105277 195388521 /nfs/dbraw/zinc/38/85/21/195388521.db2.gz PYINRMRWLOILFC-GZTJUZNOSA-N -1 2 498.488 3.853 40 10 JHCBLM CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000059135466 195390347 /nfs/dbraw/zinc/39/03/47/195390347.db2.gz XVMQDWNXVSUYOC-VGOFMYFVSA-N -1 2 462.817 3.848 40 10 JHCBLM COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000012381045 555969675 /nfs/dbraw/zinc/96/96/75/555969675.db2.gz CYSZFYWXGOXELG-QVASGMJFSA-N -1 2 479.272 3.520 40 10 JHCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(F)c3)C2=O)cc1 ZINC000408937360 570081776 /nfs/dbraw/zinc/08/17/76/570081776.db2.gz IZXJVAJCLCZADO-DEDYPNTBSA-N -1 2 460.417 3.769 40 10 JHCBLM Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)c1 ZINC000408961358 570086063 /nfs/dbraw/zinc/08/60/63/570086063.db2.gz RZTDATRXPBJUOZ-KGENOOAVSA-N -1 2 456.454 3.939 40 10 JHCBLM O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000408743143 570032854 /nfs/dbraw/zinc/03/28/54/570032854.db2.gz ZLZTVEZECUOFJH-IZZDOVSWSA-N -1 2 466.085 3.584 40 10 JHCBLM O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000408853426 570055967 /nfs/dbraw/zinc/05/59/67/570055967.db2.gz SDYCOJHXVJIIIY-VZUCSPMQSA-N -1 2 484.075 3.723 40 10 JHCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 ZINC000408936580 570081580 /nfs/dbraw/zinc/08/15/80/570081580.db2.gz GTEIDSXESHCPAD-FYJGNVAPSA-N -1 2 487.424 3.538 40 10 JHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000409050269 570109693 /nfs/dbraw/zinc/10/96/93/570109693.db2.gz TVVPAZOLJQGDLI-NYYWCZLTSA-N -1 2 499.690 3.785 40 10 JHCBLM COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409187612 570160975 /nfs/dbraw/zinc/16/09/75/570160975.db2.gz SKSUVTRUSSLSFS-QGOAFFKASA-N -1 2 490.443 3.778 40 10 JHCBLM Cc1ccc(C(=O)[O-])cc1NC=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O ZINC000408537288 570190730 /nfs/dbraw/zinc/19/07/30/570190730.db2.gz ZVAUUSWEDAFFGC-NTEUORMPSA-N -1 2 472.295 3.651 40 10 JHCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])c(Br)c3)C2=O)cc1 ZINC000033391906 523962942 /nfs/dbraw/zinc/96/29/42/523962942.db2.gz HGNDEUJASSLWOX-DHDCSXOGSA-N -1 2 473.279 3.982 40 10 JHCBLM Cc1nnc([N-]S(=O)(=O)c2ccc(N=N[C@H]3C(=O)N(c4ccccc4)N=C3C)cc2)s1 ZINC000043365984 526372973 /nfs/dbraw/zinc/37/29/73/526372973.db2.gz YELXRFXLPAPXNK-BFQBXFRASA-N -1 2 455.525 3.522 40 10 JHCBLM Cc1nnc(NS(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(-c4ccccc4)c3=O)cc2)s1 ZINC000043365984 526372981 /nfs/dbraw/zinc/37/29/81/526372981.db2.gz YELXRFXLPAPXNK-BFQBXFRASA-N -1 2 455.525 3.522 40 10 JHCBLM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000033708833 569631346 /nfs/dbraw/zinc/63/13/46/569631346.db2.gz PHZKAUJMBGFBQJ-ZDLGFXPLSA-N -1 2 493.859 3.987 40 10 JHCBLM Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccc(OCC(=O)[O-])c(Br)c2)C1=O ZINC000409044717 570108420 /nfs/dbraw/zinc/10/84/20/570108420.db2.gz WUMAXHPPXNENIZ-AWNIVKPZSA-N -1 2 493.697 3.541 40 10 JHCBLM O=C([O-])c1ccc(COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)cc1 ZINC000409071566 570118495 /nfs/dbraw/zinc/11/84/95/570118495.db2.gz KFKUXJWRVJAQTL-BKUYFWCQSA-N -1 2 487.424 3.538 40 10 JHCBLM Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C(=O)[O-])cc4)C3=O)cc2)cc1 ZINC000408935252 570081304 /nfs/dbraw/zinc/08/13/04/570081304.db2.gz CIUOXFCGXNDCGC-HYARGMPZSA-N -1 2 456.454 3.939 40 10 JHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408936603 570081670 /nfs/dbraw/zinc/08/16/70/570081670.db2.gz GYAFRVNHPKZETI-UDWIEESQSA-N -1 2 490.443 3.778 40 10 JHCBLM O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1Cl ZINC000409070175 570117951 /nfs/dbraw/zinc/11/79/51/570117951.db2.gz XVRXYHPHZADHPF-BJMVGYQFSA-N -1 2 469.664 3.777 40 10 JHCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)cc1 ZINC000409073081 570119116 /nfs/dbraw/zinc/11/91/16/570119116.db2.gz XDDBEIANCQBFLL-YBFXNURJSA-N -1 2 492.871 3.989 40 10 JHCBLM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 ZINC000104090813 569840789 /nfs/dbraw/zinc/84/07/89/569840789.db2.gz LSCJCAMSAXFPGW-WTVYTQLBSA-N -1 2 463.523 3.769 40 10 JHCBLM O=C([O-])c1cccc(COc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000107981654 569858164 /nfs/dbraw/zinc/85/81/64/569858164.db2.gz QDQABOKYANXUSB-ODLFYWEKSA-N -1 2 493.859 3.987 40 10 JHCBLM Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2=O)ccc1Br ZINC000408762252 570037158 /nfs/dbraw/zinc/03/71/58/570037158.db2.gz AJSXSHCCWRAPSQ-WUXMJOGZSA-N -1 2 480.658 3.691 40 10 JHCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c([O-])c([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000408989231 570093367 /nfs/dbraw/zinc/09/33/67/570093367.db2.gz SQKGVHLTHJJVDQ-WCIBSUBMSA-N -1 2 480.658 3.691 40 10 JHCBLM Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cc(Br)ccc2OCC(=O)[O-])C1=O ZINC000409048308 570109339 /nfs/dbraw/zinc/10/93/39/570109339.db2.gz SJGMAIYHVZFTTB-VGOFMYFVSA-N -1 2 493.697 3.541 40 10 JHCBLM O=C([O-])Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 ZINC000409106135 570130239 /nfs/dbraw/zinc/13/02/39/570130239.db2.gz QLQDEASOKGKHOM-MDWZMJQESA-N -1 2 458.257 3.699 40 10 JHCBLM COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409187525 570160868 /nfs/dbraw/zinc/16/08/68/570160868.db2.gz RMYJRTYYXIIERW-UDWIEESQSA-N -1 2 490.443 3.778 40 10 JHCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccccc4C(=O)[O-])c3C)C2=O)cc1 ZINC000409218911 570173736 /nfs/dbraw/zinc/17/37/36/570173736.db2.gz YGMCLHDTPFBFAX-KGENOOAVSA-N -1 2 473.485 3.857 40 10 JHCBLM O=C1[C@H](N=Nc2ccc(S(=O)(=O)[O-])cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1 ZINC000100365830 569758074 /nfs/dbraw/zinc/75/80/74/569758074.db2.gz OVCFYTGZRGJZBK-QAHCAUCSSA-N -1 2 465.447 3.745 40 10 JHCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408945510 570083423 /nfs/dbraw/zinc/08/34/23/570083423.db2.gz WOUQXVUPYQPBPI-DEDYPNTBSA-N -1 2 487.424 3.538 40 10 JHCBLM O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c1 ZINC000409099614 570127874 /nfs/dbraw/zinc/12/78/74/570127874.db2.gz OUMRQHHWMNFIEZ-LDADJPATSA-N -1 2 480.274 3.604 40 10 JHCBLM O=C([O-])COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl ZINC000059678802 569607478 /nfs/dbraw/zinc/60/74/78/569607478.db2.gz NRVZONPCYMCNHZ-UXBLZVDNSA-N -1 2 469.664 3.777 40 10 JHCBLM Cc1nnc(NS(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(-c4ccccc4)c3=O)cc2)s1 ZINC000104090798 569840749 /nfs/dbraw/zinc/84/07/49/569840749.db2.gz YELXRFXLPAPXNK-KTVWJZFRSA-N -1 2 455.525 3.522 40 10 JHCBLM O=C([O-])c1cc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)ccc1Cl ZINC000009259811 526341550 /nfs/dbraw/zinc/34/15/50/526341550.db2.gz AOWMNUHSJLERCJ-OQLLNIDSSA-N -1 2 480.816 3.693 40 10 JHCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(Br)c3)C2=O)cc1 ZINC000408778316 570040794 /nfs/dbraw/zinc/04/07/94/570040794.db2.gz DHOCUYLIFUMDLT-AWNIVKPZSA-N -1 2 493.697 3.541 40 10 JHCBLM COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1O[C@@H](C)C(=O)[O-] ZINC000409243802 570183246 /nfs/dbraw/zinc/18/32/46/570183246.db2.gz UNSYAXQQUNEKQQ-LZAIMSLLSA-N -1 2 479.272 3.520 40 10 JHCBLM O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)c3ccccc32)o1 ZINC000408541572 570191636 /nfs/dbraw/zinc/19/16/36/570191636.db2.gz GRSGBLNIXHAJDR-VXLYETTFSA-N -1 2 473.416 3.786 40 10 JHCBLM