smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[n-]n(-c2ccc(I)cc2)c(=O)c1C=Nc1ccc(C(=O)[O-])c(O)c1 ZINC000016160740 520894695 /nfs/dbraw/zinc/89/46/95/520894695.db2.gz KNNQFOCNSCEWPF-DHDCSXOGSA-N -2 0 463.231 3.414 40 10 JGCBRL COc1cc([N+](=O)[O-])ccc1NN=C1C=C(S(=O)(=O)[O-])c2cccc(S(=O)(=O)[O-])c2C1=O ZINC000004416412 522973282 /nfs/dbraw/zinc/97/32/82/522973282.db2.gz LJCLJTFFIGIRAA-VHEBQXMUSA-N -2 0 483.436 3.371 40 10 JGCBRL CC1=CC(=NNc2c(O)c3c(N)cc(S(=O)(=O)[O-])cc3cc2S(=O)(=O)[O-])C=CC1=O ZINC000025694078 556230449 /nfs/dbraw/zinc/23/04/49/556230449.db2.gz CZHGAMWGHXFLPX-FMQUCBEESA-N -2 0 453.454 3.050 40 10 JGCBRL O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000059678985 569607487 /nfs/dbraw/zinc/60/74/87/569607487.db2.gz BRRKLBQERHVGKN-NTUHNPAUSA-N -2 0 451.287 3.288 40 10 JGCBRL Cc1[n-]n(C(=O)c2ccc(Cl)cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000101305342 569790982 /nfs/dbraw/zinc/79/09/82/569790982.db2.gz HRJNALBHZAXUKU-IRCXXISZSA-N -2 0 497.924 3.442 40 10 JGCBRL O=C1c2c(cccc2S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C1=NNc1ccc([N+](=O)[O-])cc1 ZINC000104175592 569842337 /nfs/dbraw/zinc/84/23/37/569842337.db2.gz BKUZYERIGBKFLS-ZCXUNETKSA-N -2 0 453.410 3.362 40 10 JGCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OC ZINC000408936557 570081541 /nfs/dbraw/zinc/08/15/41/570081541.db2.gz GOEXRDFYKZSYPV-RIYZIHGNSA-N -2 0 489.278 3.221 40 10 JGCBRL CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000408985722 570092259 /nfs/dbraw/zinc/09/22/59/570092259.db2.gz YDQGUWSRMLXPNX-SXGWCWSVSA-N -2 0 472.881 3.431 40 10 JGCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000409045134 570108397 /nfs/dbraw/zinc/10/83/97/570108397.db2.gz FGDRJAMUOHCPHA-IZZDOVSWSA-N -2 0 465.245 3.132 40 10 JGCBRL O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1Br ZINC000409052801 570110493 /nfs/dbraw/zinc/11/04/93/570110493.db2.gz ANAWXNCGASHDPC-YRNVUSSQSA-N -2 0 479.670 3.232 40 10 JGCBRL O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)C(=O)[N-]C2=S)cc1 ZINC000409188642 570161211 /nfs/dbraw/zinc/16/12/11/570161211.db2.gz IUZPZUAZROASTK-GZTJUZNOSA-N -3 0 462.439 3.174 40 10 JGCBRL C[C@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(Br)c2)C1=O)C(=O)[O-] ZINC000409191268 570161997 /nfs/dbraw/zinc/16/19/97/570161997.db2.gz FSZIYLRCBHKQRQ-ZRRZQRFHSA-N -2 0 475.320 3.132 40 10 JGCBRL CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)[O-])C2=O)c(OCC)c1 ZINC000409194735 570163269 /nfs/dbraw/zinc/16/32/69/570163269.db2.gz QSOODTFGEUADHR-IQGJIOQQSA-N -2 0 468.462 3.002 40 10 JGCBRL COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4C(=O)[O-])c3C)C2=O)cc1 ZINC000409202098 570165816 /nfs/dbraw/zinc/16/58/16/570165816.db2.gz OXGOPVIEBQNCKO-DEDYPNTBSA-N -2 0 459.458 3.467 40 10 JGCBRL CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000409203277 570166242 /nfs/dbraw/zinc/16/62/42/570166242.db2.gz VFLARKKDNPRUJJ-XNTDXEJSSA-N -2 0 455.423 3.154 40 10 JGCBRL CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)[N-]C2=S)cc1 ZINC000059250053 195396118 /nfs/dbraw/zinc/39/61/18/195396118.db2.gz VHAXMLXJGNHWRE-OQLLNIDSSA-N -2 0 460.895 3.033 40 10 JGCBRL COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000033653674 569629636 /nfs/dbraw/zinc/62/96/36/569629636.db2.gz MERQBVPBXDXDBR-AAIQCTMTSA-N -2 0 495.713 3.424 40 10 JGCBRL O=C([O-])c1cccc(COc2c(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cccc2[N+](=O)[O-])c1 ZINC000033720793 569632070 /nfs/dbraw/zinc/63/20/70/569632070.db2.gz SQPJVCFHKHQWCZ-UYRXBGFRSA-N -2 0 459.414 3.333 40 10 JGCBRL C[C@H](Oc1c(Br)cc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O)C(=O)[O-] ZINC000033749213 569633597 /nfs/dbraw/zinc/63/35/97/569633597.db2.gz MENMBKXUTDBXAZ-WULZRQGASA-N -2 0 465.687 3.416 40 10 JGCBRL CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC000108949509 569859977 /nfs/dbraw/zinc/85/99/77/569859977.db2.gz HWQJCYUMXZOTEO-ZENNRRHLSA-N -2 0 475.295 3.161 40 10 JGCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)N(c2ccc(Br)cc2C)C1=O ZINC000408740763 570032033 /nfs/dbraw/zinc/03/20/33/570032033.db2.gz HYTOQEMRXIUGHJ-PCJMVEANSA-N -2 0 497.374 3.471 40 10 JGCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000408778322 570040833 /nfs/dbraw/zinc/04/08/33/570040833.db2.gz DLKRNPMCSKXICP-AWNIVKPZSA-N -2 0 465.245 3.132 40 10 JGCBRL Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)C1=O ZINC000408843920 570054130 /nfs/dbraw/zinc/05/41/30/570054130.db2.gz BFZGQQISJHVNPY-HMHNVIDESA-N -2 0 473.279 3.276 40 10 JGCBRL CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)[O-] ZINC000409039779 570107175 /nfs/dbraw/zinc/10/71/75/570107175.db2.gz DMBJGOFENARGIK-NVNXTCNLSA-N -2 0 458.854 3.177 40 10 JGCBRL CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC)c(C(=O)[O-])c3)C2=O)cc1OC ZINC000409213229 570170936 /nfs/dbraw/zinc/17/09/36/570170936.db2.gz SUYXWNFXTBCHLX-SFQUDFHCSA-N -2 0 468.462 3.247 40 10 JGCBRL CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OCC)c([O-])c([N+](=O)[O-])c3)C2=O)cc1OC ZINC000409216311 570172720 /nfs/dbraw/zinc/17/27/20/570172720.db2.gz GWDYSOKNXVXWQN-OQLLNIDSSA-N -2 0 485.449 3.163 40 10 JGCBRL COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4C(=O)[O-])c3C)C2=O)c(OC)c1 ZINC000409219320 570173861 /nfs/dbraw/zinc/17/38/61/570173861.db2.gz PLZVRAMQXOCIBF-XDHOZWIPSA-N -2 0 489.484 3.476 40 10 JGCBRL COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c1O[C@H](C)C(=O)[O-] ZINC000409229045 570177031 /nfs/dbraw/zinc/17/70/31/570177031.db2.gz IWPPORVNVUBMMH-BTAWCLGRSA-N -2 0 460.895 3.032 40 10 JGCBRL COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c1O[C@@H](C)C(=O)[O-] ZINC000409252872 570186197 /nfs/dbraw/zinc/18/61/97/570186197.db2.gz YCLJPTPJRYRHKF-KBVGCWLLSA-N -2 0 460.895 3.032 40 10 JGCBRL CC(=O)Nc1ccc(NN=C2C(=O)c3c(O)cc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])cc1 ZINC000004803990 519709076 /nfs/dbraw/zinc/70/90/76/519709076.db2.gz ISEIKYNRVBWLLR-QZQOTICOSA-N -2 0 481.464 3.118 40 10 JGCBRL COc1ccccc1/C=C1\N=C(c2ccccc2)N(c2cc(S(=O)(=O)[O-])ccc2C(=O)[O-])C1=O ZINC000008892957 524322480 /nfs/dbraw/zinc/32/24/80/524322480.db2.gz KNZXHFXJZPJFFB-UYRXBGFRSA-N -2 0 478.482 3.475 40 10 JGCBRL COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(=O)[O-] ZINC000033580684 569628269 /nfs/dbraw/zinc/62/82/69/569628269.db2.gz NWJCHKTXUXUSEN-GHXNOFRVSA-N -2 0 481.686 3.036 40 10 JGCBRL COc1cc([N+](=O)[O-])ccc1NN=C1C=C(S(=O)(=O)[O-])c2cccc(S(=O)(=O)[O-])c2C1=O ZINC000104177173 569842496 /nfs/dbraw/zinc/84/24/96/569842496.db2.gz LJCLJTFFIGIRAA-HNENSFHCSA-N -2 0 483.436 3.371 40 10 JGCBRL CCOc1ccccc1NC(=O)CC(=O)n1[n-]c(C)c(N=Nc2ccccc2C(=O)[O-])c1=O ZINC000104219163 569843183 /nfs/dbraw/zinc/84/31/83/569843183.db2.gz KQVVSDSWLSPFGY-NJGFXUCASA-N -2 0 451.439 3.009 40 10 JGCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408692844 570015666 /nfs/dbraw/zinc/01/56/66/570015666.db2.gz WRRLQYPNJCXUKM-XDHOZWIPSA-N -2 0 464.474 3.377 40 10 JGCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000408853680 570055974 /nfs/dbraw/zinc/05/59/74/570055974.db2.gz WOQZGDZJRZCULA-CIAFOILYSA-N -3 0 487.468 3.465 40 10 JGCBRL Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C(=O)[N-]C1=S ZINC000408904444 570070338 /nfs/dbraw/zinc/07/03/38/570070338.db2.gz JNFOKEMUFZBABV-KPKJPENVSA-N -2 0 462.281 3.203 40 10 JGCBRL Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)o1 ZINC000408951007 570084102 /nfs/dbraw/zinc/08/41/02/570084102.db2.gz KRDIMSIPDSGVDA-LICLKQGHSA-N -2 0 460.398 3.348 40 10 JGCBRL CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)[O-] ZINC000409044549 570108306 /nfs/dbraw/zinc/10/83/06/570108306.db2.gz VWMPAIJGZUOBJS-ZROIWOOFSA-N -2 0 458.854 3.177 40 10 JGCBRL CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(OC)c1 ZINC000409189138 570161375 /nfs/dbraw/zinc/16/13/75/570161375.db2.gz IXYVEODPEDKEMF-LDADJPATSA-N -2 0 453.520 3.071 40 10 JGCBRL CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000409192350 570162388 /nfs/dbraw/zinc/16/23/88/570162388.db2.gz BDXXKNHTSSOMLH-VVBXCHJUSA-N -2 0 454.504 3.402 40 10 JGCBRL CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Br ZINC000409192580 570162390 /nfs/dbraw/zinc/16/23/90/570162390.db2.gz FDZWDDLIHNBPOU-NTEUORMPSA-N -2 0 475.320 3.377 40 10 JGCBRL C[C@@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(Br)cc2)C1=O)C(=O)[O-] ZINC000409194144 570162999 /nfs/dbraw/zinc/16/29/99/570162999.db2.gz OIZHKTXOHNTMOR-HGLKBHAMSA-N -2 0 475.320 3.132 40 10 JGCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1O ZINC000409196280 570163567 /nfs/dbraw/zinc/16/35/67/570163567.db2.gz VEXHBOIOSRXZEM-NTUHNPAUSA-N -2 0 491.319 3.083 40 10 JGCBRL Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C(=O)[O-])c3)C2=O)o1 ZINC000009259677 525665105 /nfs/dbraw/zinc/66/51/05/525665105.db2.gz DPIJDJUUDBSXKS-WQRHYEAKSA-N -3 0 460.398 3.318 40 10 JGCBRL Cc1cc(Br)c(N2C(=O)[N-]C(=O)C(=CNc3ccc(C(=O)[O-])c(O)c3)C2=O)cc1C ZINC000016267921 526152114 /nfs/dbraw/zinc/15/21/14/526152114.db2.gz NERACJSKGYOKNG-JYRVWZFOSA-N -2 0 474.267 3.049 40 10 JGCBRL Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])c(Br)c3)C2=O)c1 ZINC000009311097 555087311 /nfs/dbraw/zinc/08/73/11/555087311.db2.gz UPQZRXSKUFGOBH-OVCLIPMQSA-N -2 0 473.279 3.196 40 10 JGCBRL C[C@@H](Oc1c(Br)cc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O)C(=O)[O-] ZINC000033749217 569633519 /nfs/dbraw/zinc/63/35/19/569633519.db2.gz MENMBKXUTDBXAZ-DOQDJBIESA-N -2 0 465.687 3.416 40 10 JGCBRL CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000100334470 569757755 /nfs/dbraw/zinc/75/77/55/569757755.db2.gz HMMJBTDPNPTRQK-DDJBQFQUSA-N -2 0 492.517 3.301 40 10 JGCBRL CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000100334467 569757769 /nfs/dbraw/zinc/75/77/69/569757769.db2.gz HMMJBTDPNPTRQK-RMBMZXQHSA-N -2 0 492.517 3.301 40 10 JGCBRL CCOc1ccccc1NC(=O)CC(=O)n1[n-]c(C)c(N=Nc2ccccc2C(=O)[O-])c1=O ZINC000104219168 569843224 /nfs/dbraw/zinc/84/32/24/569843224.db2.gz KQVVSDSWLSPFGY-VQERKYHCSA-N -2 0 451.439 3.009 40 10 JGCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)[O-])C2=O)cc1C ZINC000408848940 570055169 /nfs/dbraw/zinc/05/51/69/570055169.db2.gz SWGTZQKQSPOOEL-CXUHLZMHSA-N -2 0 473.279 3.196 40 10 JGCBRL CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])c(Cl)c3)C2=O)c(OCC)c1 ZINC000408943769 570083172 /nfs/dbraw/zinc/08/31/72/570083172.db2.gz MAQJIWNYJKZHOI-OQLLNIDSSA-N -2 0 488.880 3.267 40 10 JGCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)[O-] ZINC000409039821 570107218 /nfs/dbraw/zinc/10/72/18/570107218.db2.gz DSESWEOLBJYHFP-WUXMJOGZSA-N -2 0 465.245 3.132 40 10 JGCBRL O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000409046116 570108656 /nfs/dbraw/zinc/10/86/56/570108656.db2.gz ITWMICGSOLRELP-AWNIVKPZSA-N -2 0 479.670 3.232 40 10 JGCBRL O=C([O-])COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000409052717 570110411 /nfs/dbraw/zinc/11/04/11/570110411.db2.gz AAONXZGJZGYLSX-VGOFMYFVSA-N -2 0 479.670 3.232 40 10 JGCBRL O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000409074743 570119619 /nfs/dbraw/zinc/11/96/19/570119619.db2.gz RFEWUAKCLCRPDM-UUILKARUSA-N -2 0 480.216 3.031 40 10 JGCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409189347 570161390 /nfs/dbraw/zinc/16/13/90/570161390.db2.gz JRZIZANIMZWUSO-UDWIEESQSA-N -3 0 489.509 3.322 40 10 JGCBRL O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)C(=O)[N-]C2=S)cc1 ZINC000409189494 570161509 /nfs/dbraw/zinc/16/15/09/570161509.db2.gz HCCXNBQNVAVPNT-BOPFTXTBSA-N -3 0 462.439 3.174 40 10 JGCBRL CCOc1cc(Cl)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000409192173 570162259 /nfs/dbraw/zinc/16/22/59/570162259.db2.gz BCCINAVEPCRPBF-RIYZIHGNSA-N -2 0 460.895 3.277 40 10 JGCBRL C[C@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(Br)cc2)C1=O)C(=O)[O-] ZINC000409194147 570162966 /nfs/dbraw/zinc/16/29/66/570162966.db2.gz OIZHKTXOHNTMOR-KBVGCWLLSA-N -2 0 475.320 3.132 40 10 JGCBRL CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O[C@H](C)C(=O)[O-])C2=O)c(OCC)c1 ZINC000409194738 570163234 /nfs/dbraw/zinc/16/32/34/570163234.db2.gz QSOODTFGEUADHR-RFRKOGIWSA-N -2 0 468.462 3.002 40 10 JGCBRL Cc1cc(C)n(-c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C)cc4C)C3=O)cc2C(=O)[O-])n1 ZINC000408528048 570186577 /nfs/dbraw/zinc/18/65/77/570186577.db2.gz FAKAUTZMWQOADG-XDHOZWIPSA-N -2 0 473.489 3.383 40 10 JGCBRL Cc1c(C)c(N2C(=O)[N-]C(=O)C(=CNc3ccc(C(=O)[O-])c(O)c3)C2=O)ccc1Br ZINC000408528115 570186716 /nfs/dbraw/zinc/18/67/16/570186716.db2.gz FFRFPOWDXKLRMR-MDWZMJQESA-N -2 0 474.267 3.049 40 10 JGCBRL CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000409327769 570202587 /nfs/dbraw/zinc/20/25/87/570202587.db2.gz MRBSZXYBFJPRNF-JYRVWZFOSA-N -2 0 451.507 3.307 40 10 JGCBRL COc1ccccc1N=Nc1c(O)c2c(N)cc(S(=O)(=O)[O-])cc2cc1S(=O)(=O)[O-] ZINC000004366352 524328067 /nfs/dbraw/zinc/32/80/67/524328067.db2.gz NOUFHLBWVZSVLG-FMQUCBEESA-N -2 0 453.454 3.045 40 10 JGCBRL CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(=O)[O-] ZINC000033525540 569627275 /nfs/dbraw/zinc/62/72/75/569627275.db2.gz GLXOZHYOLAYUMU-JYRVWZFOSA-N -2 0 495.713 3.426 40 10 JGCBRL CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1O[C@H](C)C(=O)[O-] ZINC000033850001 569636156 /nfs/dbraw/zinc/63/61/56/569636156.db2.gz MQGXPUXZWAPJFP-CDCQXCROSA-N -2 0 475.295 3.161 40 10 JGCBRL COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000408722995 570027383 /nfs/dbraw/zinc/02/73/83/570027383.db2.gz PFNVAXHYSWOLMA-ONNFQVAWSA-N -2 0 468.274 3.447 40 10 JGCBRL CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(OCC)c3)C2=O)cc1 ZINC000409039766 570107237 /nfs/dbraw/zinc/10/72/37/570107237.db2.gz DJRSCJMOYBMGJR-CXUHLZMHSA-N -2 0 488.880 3.267 40 10 JGCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000409047651 570109061 /nfs/dbraw/zinc/10/90/61/570109061.db2.gz PFSVAGSEENEOLT-WLRTZDKTSA-N -2 0 465.245 3.132 40 10 JGCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2)cc1 ZINC000409072178 570118675 /nfs/dbraw/zinc/11/86/75/570118675.db2.gz JALOVVXACBKWCO-FYJGNVAPSA-N -2 0 458.426 3.336 40 10 JGCBRL O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3F)C(=O)[N-]C2=S)cc1 ZINC000409188295 570161113 /nfs/dbraw/zinc/16/11/13/570161113.db2.gz FTXYADCBRBRFID-LDADJPATSA-N -2 0 453.495 3.346 40 10 JGCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000409188091 570161130 /nfs/dbraw/zinc/16/11/30/570161130.db2.gz ABDSMNMFLCVZCM-UDWIEESQSA-N -3 0 489.509 3.322 40 10 JGCBRL COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)o1 ZINC000409195273 570163319 /nfs/dbraw/zinc/16/33/19/570163319.db2.gz SXOLOYXMQXMTSZ-GZTJUZNOSA-N -2 0 493.453 3.393 40 10 JGCBRL CC[C@@H](C)Oc1c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cccc1OC ZINC000409195179 570163342 /nfs/dbraw/zinc/16/33/42/570163342.db2.gz SAMQJLYZPTZFGO-LVLBFHFTSA-N -2 0 454.504 3.402 40 10 JGCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000409195599 570163507 /nfs/dbraw/zinc/16/35/07/570163507.db2.gz UICHSTUJDTUBSI-VXLYETTFSA-N -2 0 489.509 3.352 40 10 JGCBRL CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c([O-])c([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000409213618 570171167 /nfs/dbraw/zinc/17/11/67/570171167.db2.gz UPVGAYJNLSTZTR-OQLLNIDSSA-N -2 0 485.449 3.163 40 10 JGCBRL CC(=O)Nc1ccc(NN=C2c3ccc(S(=O)(=O)[O-])cc3C=C(S(=O)(=O)[O-])C2=O)cc1 ZINC000004803989 519709022 /nfs/dbraw/zinc/70/90/22/519709022.db2.gz AIUTZJHEOARBOV-QZQOTICOSA-N -2 0 465.465 3.413 40 10 JGCBRL CCCCOc1ccc(/C=C2\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O)cc1OC ZINC000008828400 554718833 /nfs/dbraw/zinc/71/88/33/554718833.db2.gz RDNZSVQCHDTNLS-RERGGYADSA-N -2 0 453.538 3.393 40 10 JGCBRL O=C([O-])c1ccc(Cn2cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)c3ccccc32)o1 ZINC000009265493 555041391 /nfs/dbraw/zinc/04/13/91/555041391.db2.gz WDOHBPCHEKKVOY-NVMNQCDNSA-N -2 0 499.435 3.376 40 10 JGCBRL O=C([O-])c1ccc(COc2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000033413381 569626089 /nfs/dbraw/zinc/62/60/89/569626089.db2.gz YQCTUGULFKDEQP-UNOMPAQXSA-N -2 0 459.414 3.333 40 10 JGCBRL O=C([O-])c1ccc(COc2c(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cccc2[N+](=O)[O-])cc1 ZINC000033720795 569632073 /nfs/dbraw/zinc/63/20/73/569632073.db2.gz PLMHEFKRCBTJMB-UYRXBGFRSA-N -2 0 459.414 3.333 40 10 JGCBRL O=C([O-])c1ccccc1NN=C1C(=O)C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc21 ZINC000100177641 569754792 /nfs/dbraw/zinc/75/47/92/569754792.db2.gz OJWUCETZRVOXJF-HNENSFHCSA-N -3 0 452.422 3.152 40 10 JGCBRL CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc([N-]S(=O)(=O)c2nccs2)cc1 ZINC000104090499 569840672 /nfs/dbraw/zinc/84/06/72/569840672.db2.gz DYUCYIHLTBLINY-TZFALNRWSA-N -2 0 498.546 3.362 40 10 JGCBRL O=C([O-])COc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br ZINC000107607236 569856702 /nfs/dbraw/zinc/85/67/02/569856702.db2.gz IIAOWBHTLZCFSD-SDQBBNPISA-N -2 0 496.111 3.136 40 10 JGCBRL O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)c([O-])c(Br)c1 ZINC000408851568 570055681 /nfs/dbraw/zinc/05/56/81/570055681.db2.gz CYKXOWWFNGSHCA-XCVCLJGOSA-N -2 0 465.643 3.203 40 10 JGCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000408853703 570056010 /nfs/dbraw/zinc/05/60/10/570056010.db2.gz QVRTZVJLTZTFEX-VZUCSPMQSA-N -2 0 491.840 3.036 40 10 JGCBRL CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000408945837 570083527 /nfs/dbraw/zinc/08/35/27/570083527.db2.gz XNYQZJPFUFTMGS-RIYZIHGNSA-N -2 0 489.278 3.221 40 10 JGCBRL CCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000408946755 570083604 /nfs/dbraw/zinc/08/36/04/570083604.db2.gz ZFOWRXOMRBMSSI-XNTDXEJSSA-N -2 0 459.252 3.212 40 10 JGCBRL CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)[O-] ZINC000408983077 570091340 /nfs/dbraw/zinc/09/13/40/570091340.db2.gz KEIAACQGKFKNBF-NVNXTCNLSA-N -2 0 458.854 3.177 40 10 JGCBRL COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)C(=O)[N-]C2=S)c(OC)c1 ZINC000409099096 570127693 /nfs/dbraw/zinc/12/76/93/570127693.db2.gz RZDUGFOEFXPUDQ-BOPFTXTBSA-N -2 0 478.482 3.493 40 10 JGCBRL O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)[N-]C2=S)cc1 ZINC000409189294 570161329 /nfs/dbraw/zinc/16/13/29/570161329.db2.gz OWIKGHVXBAPHBT-GZTJUZNOSA-N -2 0 463.427 3.384 40 10 JGCBRL O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)[N-]C2=S)cc1 ZINC000409189766 570161505 /nfs/dbraw/zinc/16/15/05/570161505.db2.gz SMQIYLLLACZNPM-BOPFTXTBSA-N -2 0 463.427 3.384 40 10 JGCBRL CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000409192348 570162379 /nfs/dbraw/zinc/16/23/79/570162379.db2.gz BDXXKNHTSSOMLH-HNEYUBDGSA-N -2 0 454.504 3.402 40 10 JGCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1O ZINC000409193790 570162916 /nfs/dbraw/zinc/16/29/16/570162916.db2.gz LUGVKJMDBFYODY-NTUHNPAUSA-N -2 0 491.319 3.083 40 10 JGCBRL O=[N+]([O-])c1ccc(N=Nc2c(O)c3ccc(S(=O)(=O)[O-])cc3cc2S(=O)(=O)[O-])c([N+](=O)[O-])c1 ZINC000263593146 570172537 /nfs/dbraw/zinc/17/25/37/570172537.db2.gz AYCFJUKXFTYTGH-UHFFFAOYSA-N -2 0 498.407 3.271 40 10 JGCBRL O=C1c2c(cccc2S(=O)(=O)[O-])C(S(=O)(=O)[O-])=CC1=NNc1ccc([N+](=O)[O-])cc1 ZINC000004683083 194393593 /nfs/dbraw/zinc/39/35/93/194393593.db2.gz GQTOAWYCHJNRRS-ISLYRVAYSA-N -2 0 453.410 3.362 40 10 JGCBRL Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000033711047 526097473 /nfs/dbraw/zinc/09/74/73/526097473.db2.gz HWCUGCOSUHLIKG-JAIQZWGSSA-N -2 0 459.483 3.261 40 10 JGCBRL CC(=O)Nc1ccc(NN=C2C(=O)c3ccc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])cc1 ZINC000025693783 556230524 /nfs/dbraw/zinc/23/05/24/556230524.db2.gz BCHLQGHKTNGLNI-QZQOTICOSA-N -2 0 465.465 3.413 40 10 JGCBRL Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)C(=O)[N-]C1=S ZINC000059679280 569607548 /nfs/dbraw/zinc/60/75/48/569607548.db2.gz MKSVUXMEKHXCFZ-HMHNVIDESA-N -2 0 489.347 3.441 40 10 JGCBRL O=C([O-])c1cccc(COc2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2[N+](=O)[O-])c1 ZINC000033659113 569629996 /nfs/dbraw/zinc/62/99/96/569629996.db2.gz MDTPLENKPINVCE-UNOMPAQXSA-N -2 0 459.414 3.333 40 10 JGCBRL C[C@H](Oc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br)C(=O)[O-] ZINC000033705242 569631127 /nfs/dbraw/zinc/63/11/27/569631127.db2.gz YPRVJGWDRMIUCD-BNDQCTAISA-N -2 0 465.687 3.416 40 10 JGCBRL O=C1C=C(S(=O)(=O)[O-])C=C2C(=NNc3ccc([N+](=O)[O-])c(S(=O)(=O)[O-])c3)C=CC(O)=C12 ZINC000104042343 569840035 /nfs/dbraw/zinc/84/00/35/569840035.db2.gz CPRQPOGKOSXTEW-ZCXUNETKSA-N -2 0 469.409 3.068 40 10 JGCBRL Cc1[n-]n(C(=O)c2ccc(Cl)cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000104225893 569843359 /nfs/dbraw/zinc/84/33/59/569843359.db2.gz HRJNALBHZAXUKU-GREHKBSCSA-N -2 0 497.924 3.442 40 10 JGCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCCCC4)C3=O)o2)c1 ZINC000205815282 569874425 /nfs/dbraw/zinc/87/44/25/569874425.db2.gz YXICGIXQJNQYGX-WOJGMQOQSA-N -2 0 484.486 3.392 40 10 JGCBRL O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc(Br)c1[O-] ZINC000408898964 570067839 /nfs/dbraw/zinc/06/78/39/570067839.db2.gz NLKRYOBUBNYHQD-WUXMJOGZSA-N -2 0 466.631 3.383 40 10 JGCBRL CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Br ZINC000408946229 570083553 /nfs/dbraw/zinc/08/35/53/570083553.db2.gz YOWPBXWAIAJNRW-NTEUORMPSA-N -2 0 459.252 3.212 40 10 JGCBRL O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cc(Br)cc(Cl)c1[O-] ZINC000408947870 570083716 /nfs/dbraw/zinc/08/37/16/570083716.db2.gz DIPHPZDYBGTXKV-WCIBSUBMSA-N -2 0 465.643 3.203 40 10 JGCBRL COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000408981680 570090937 /nfs/dbraw/zinc/09/09/37/570090937.db2.gz CJSFEYLRPUKYBK-ACAGNQJTSA-N -2 0 479.272 3.440 40 10 JGCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409084428 570122586 /nfs/dbraw/zinc/12/25/86/570122586.db2.gz XGHQPZPHBIGMDO-UDWIEESQSA-N -2 0 488.452 3.344 40 10 JGCBRL O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)o2)cc1 ZINC000409189055 570161340 /nfs/dbraw/zinc/16/13/40/570161340.db2.gz HZJQMFXRVAWPAJ-GZTJUZNOSA-N -3 0 462.439 3.174 40 10 JGCBRL CCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000409191813 570162247 /nfs/dbraw/zinc/16/22/47/570162247.db2.gz NYKQPZSXGLDYGV-XNTDXEJSSA-N -2 0 475.320 3.377 40 10 JGCBRL COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)o2)cc1 ZINC000409193289 570162659 /nfs/dbraw/zinc/16/26/59/570162659.db2.gz IKUAOICAVVNNFW-LDADJPATSA-N -2 0 476.466 3.263 40 10 JGCBRL COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c1O[C@H](C)C(=O)[O-] ZINC000409252870 570186150 /nfs/dbraw/zinc/18/61/50/570186150.db2.gz YCLJPTPJRYRHKF-HGLKBHAMSA-N -2 0 460.895 3.032 40 10 JGCBRL CCc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNc2cccc(C(=O)[O-])c2)C1=O ZINC000408533665 570189078 /nfs/dbraw/zinc/18/90/78/570189078.db2.gz OSNYDJWZONBNSL-XNTDXEJSSA-N -2 0 458.268 3.289 40 10 JGCBRL Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000009260163 555034479 /nfs/dbraw/zinc/03/44/79/555034479.db2.gz NCLYAYZHALLQSO-NDENLUEZSA-N -2 0 461.499 3.329 40 10 JGCBRL Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000009263370 555038191 /nfs/dbraw/zinc/03/81/91/555038191.db2.gz HWCUGCOSUHLIKG-RGVLZGJSSA-N -2 0 459.483 3.261 40 10 JGCBRL CCCCOc1ccc(/C=C2\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C2=O)cc1OC ZINC000012275208 555948553 /nfs/dbraw/zinc/94/85/53/555948553.db2.gz RDNZSVQCHDTNLS-YYTPVVGHSA-N -2 0 453.538 3.393 40 10 JGCBRL 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Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)[O-])c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000006798419 554557992 /nfs/dbraw/zinc/55/79/92/554557992.db2.gz WEFFDPQYQUUNHT-ZSOIEALJSA-N -2 0 475.320 3.052 40 10 JGCBRL Cc1[n-]n(-c2cc(S(=O)(=O)[O-])ccc2Cl)c(=O)c1N=Nc1ccc(S(=O)(=O)[O-])cc1 ZINC000022112558 555879168 /nfs/dbraw/zinc/87/91/68/555879168.db2.gz MDKRPZMPLVUDHH-VHEBQXMUSA-N -3 0 472.888 3.449 40 10 JGCBRL COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000033914836 569637427 /nfs/dbraw/zinc/63/74/27/569637427.db2.gz JVWKUWSLOJMYIO-NDENLUEZSA-N -2 0 474.469 3.442 40 10 JGCBRL CC1=CC(=NNc2c(O)c3c(N)cc(S(=O)(=O)[O-])cc3cc2S(=O)(=O)[O-])C=CC1=O ZINC000100471668 569761720 /nfs/dbraw/zinc/76/17/20/569761720.db2.gz CZHGAMWGHXFLPX-VXPUYCOJSA-N -2 0 453.454 3.050 40 10 JGCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)N(c2cccc(Br)c2)C1=O ZINC000408741086 570032151 /nfs/dbraw/zinc/03/21/51/570032151.db2.gz JZXDUAKSUJOGNN-PCJMVEANSA-N -2 0 483.347 3.162 40 10 JGCBRL 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JGCBRL O=C([O-])c1cccc(COc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000033397253 569625757 /nfs/dbraw/zinc/62/57/57/569625757.db2.gz DQSZNBJJNVDWEG-MOSHPQCFSA-N -2 0 459.414 3.333 40 10 JGCBRL COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)c(Br)cc1OCC(=O)[O-] ZINC000101524523 569801304 /nfs/dbraw/zinc/80/13/04/569801304.db2.gz YVAPKERFTIXMJX-CHHVJCJISA-N -2 0 489.278 3.425 40 10 JGCBRL O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)SC1=S ZINC000040567597 569830338 /nfs/dbraw/zinc/83/03/38/569830338.db2.gz TXXPZJFDLOAWHF-MLJKTZRHSA-N -3 0 461.473 3.164 40 10 JGCBRL O=C1C=Cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2C1=NNc1ccc([N+](=O)[O-])cc1 ZINC000104366677 569845375 /nfs/dbraw/zinc/84/53/75/569845375.db2.gz VWPHLICFDUSGFJ-ZCXUNETKSA-N -2 0 453.410 3.362 40 10 JGCBRL CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC000108949514 569860036 /nfs/dbraw/zinc/86/00/36/569860036.db2.gz HWQJCYUMXZOTEO-CDCQXCROSA-N -2 0 475.295 3.161 40 10 JGCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)o2)c1 ZINC000205859919 569874475 /nfs/dbraw/zinc/87/44/75/569874475.db2.gz YCNDOWZWTQTAJM-LICLKQGHSA-N -2 0 470.459 3.002 40 10 JGCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000408693921 570016558 /nfs/dbraw/zinc/01/65/58/570016558.db2.gz BVSDZBCXGLUXFV-XDHOZWIPSA-N -2 0 464.474 3.377 40 10 JGCBRL CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c([O-])c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408739958 570031798 /nfs/dbraw/zinc/03/17/98/570031798.db2.gz CASNUINUZMTIEJ-AWNIVKPZSA-N -2 0 492.307 3.293 40 10 JGCBRL CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c([O-])c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408740411 570031905 /nfs/dbraw/zinc/03/19/05/570031905.db2.gz KDHVRTLVTUCRGH-NTUHNPAUSA-N -2 0 476.239 3.128 40 10 JGCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408912432 570073530 /nfs/dbraw/zinc/07/35/30/570073530.db2.gz QSQLGONYGCJQIP-VXLYETTFSA-N -2 0 487.468 3.496 40 10 JGCBRL O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000408956097 570085064 /nfs/dbraw/zinc/08/50/64/570085064.db2.gz WALPZVSWTXCPJP-YBFXNURJSA-N -2 0 486.436 3.359 40 10 JGCBRL O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000409046173 570108773 /nfs/dbraw/zinc/10/87/73/570108773.db2.gz JGGYTTSVMIKGLU-VZUCSPMQSA-N -2 0 482.084 3.289 40 10 JGCBRL O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000409069060 570117593 /nfs/dbraw/zinc/11/75/93/570117593.db2.gz UQTLYMAMJBCALB-LFYBBSHMSA-N -2 0 480.216 3.031 40 10 JGCBRL Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)o1 ZINC000409189680 570161514 /nfs/dbraw/zinc/16/15/14/570161514.db2.gz MVSFQJXAPOVGMU-WOJGMQOQSA-N -3 0 476.466 3.483 40 10 JGCBRL COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000409191195 570161956 /nfs/dbraw/zinc/16/19/56/570161956.db2.gz DDPZLGLRCQYZEN-CPNJWEJPSA-N -2 0 465.531 3.215 40 10 JGCBRL Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccccc2O[C@@H](C)C(=O)[O-])C(=O)[N-]C1=S ZINC000409192373 570162374 /nfs/dbraw/zinc/16/23/74/570162374.db2.gz BPRMDZIEJZWBRU-XBUHWIKASA-N -2 0 489.347 3.441 40 10 JGCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409202285 570165865 /nfs/dbraw/zinc/16/58/65/570165865.db2.gz QQQKECUFXXMHII-VCHYOVAHSA-N -2 0 473.441 3.187 40 10 JGCBRL COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c1O[C@@H](C)C(=O)[O-] ZINC000409229046 570176967 /nfs/dbraw/zinc/17/69/67/570176967.db2.gz IWPPORVNVUBMMH-ZRRZQRFHSA-N -2 0 460.895 3.032 40 10 JGCBRL COc1ccccc1NN=C1C(=O)c2c(cc(S(=O)(=O)[O-])cc2NC(C)=O)C=C1S(=O)(=O)[O-] ZINC000017311136 556256340 /nfs/dbraw/zinc/25/63/40/556256340.db2.gz GWWYFEYLWLUZFT-DQRAZIAOSA-N -2 0 495.491 3.421 40 10 JGCBRL COc1ccc(S(=O)(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)c(C)cc2[O-])cc1 ZINC000026786880 556262966 /nfs/dbraw/zinc/26/29/66/556262966.db2.gz RVGMVTYWNHZJTG-UHFFFAOYSA-N -2 0 478.504 3.251 40 10 JGCBRL CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000100334465 569757784 /nfs/dbraw/zinc/75/77/84/569757784.db2.gz HMMJBTDPNPTRQK-ZELGORGJSA-N -2 0 492.517 3.301 40 10 JGCBRL CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc([N-]S(=O)(=O)c2nccs2)cc1 ZINC000104090489 569840634 /nfs/dbraw/zinc/84/06/34/569840634.db2.gz DYUCYIHLTBLINY-HNHDZATFSA-N -2 0 498.546 3.362 40 10 JGCBRL CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc([N-]S(=O)(=O)c2nccs2)cc1 ZINC000104090502 569840673 /nfs/dbraw/zinc/84/06/73/569840673.db2.gz DYUCYIHLTBLINY-LRDZBDLTSA-N -2 0 498.546 3.362 40 10 JGCBRL Cc1[n-]n(-c2cc(S(=O)(=O)[O-])ccc2Cl)c(=O)c1N=Nc1ccc(S(=O)(=O)[O-])cc1 ZINC000104265330 569844297 /nfs/dbraw/zinc/84/42/97/569844297.db2.gz MDKRPZMPLVUDHH-HNENSFHCSA-N -3 0 472.888 3.449 40 10 JGCBRL O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000408692452 570015517 /nfs/dbraw/zinc/01/55/17/570015517.db2.gz MUIKQCUQRWYRGU-BJMVGYQFSA-N -2 0 458.106 3.322 40 10 JGCBRL 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CC(=O)Nc1ccc(NN=C2c3ccc(S(=O)(=O)[O-])cc3C=C(S(=O)(=O)[O-])C2=O)cc1 ZINC000017302800 556253338 /nfs/dbraw/zinc/25/33/38/556253338.db2.gz AIUTZJHEOARBOV-MRCUWXFGSA-N -2 0 465.465 3.413 40 10 JGCBRL COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000033452489 569626493 /nfs/dbraw/zinc/62/64/93/569626493.db2.gz NCPWUYZZBGLNQJ-NDENLUEZSA-N -2 0 474.469 3.442 40 10 JGCBRL COc1ccccc1N=Nc1c(O)c2c(N)cc(S(=O)(=O)[O-])cc2cc1S(=O)(=O)[O-] ZINC000104180685 569842449 /nfs/dbraw/zinc/84/24/49/569842449.db2.gz NOUFHLBWVZSVLG-VXPUYCOJSA-N -2 0 453.454 3.045 40 10 JGCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)N(c2ccc(Br)cc2C)C1=O ZINC000408740760 570032083 /nfs/dbraw/zinc/03/20/83/570032083.db2.gz HYTOQEMRXIUGHJ-KTZOAPACSA-N -2 0 497.374 3.471 40 10 JGCBRL CCOc1ccc(C(=O)[O-])cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408834862 570053075 /nfs/dbraw/zinc/05/30/75/570053075.db2.gz XDFIHEYWMYTERJ-XNTDXEJSSA-N -2 0 459.252 3.212 40 10 JGCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000408856096 570056486 /nfs/dbraw/zinc/05/64/86/570056486.db2.gz IWKNDMLIUWONNU-VIZOYTHASA-N -2 0 458.854 3.095 40 10 JGCBRL O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1Br ZINC000408915474 570075191 /nfs/dbraw/zinc/07/51/91/570075191.db2.gz VVYVBVJMZKTAPC-UUILKARUSA-N -2 0 497.660 3.371 40 10 JGCBRL CC[C@H](C)Oc1c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cccc1OC ZINC000409195180 570163301 /nfs/dbraw/zinc/16/33/01/570163301.db2.gz SAMQJLYZPTZFGO-VLURKWGBSA-N -2 0 454.504 3.402 40 10 JGCBRL O=C([O-])CSc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000408553444 570195778 /nfs/dbraw/zinc/19/57/78/570195778.db2.gz ZDSQFTRCXWFWJN-JYRVWZFOSA-N -2 0 465.915 3.400 40 10 JGCBRL O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1cccc([N+](=O)[O-])c1 ZINC000004804134 194401074 /nfs/dbraw/zinc/40/10/74/194401074.db2.gz DKKOAESQAFUSIQ-ISLYRVAYSA-N -2 0 453.410 3.362 40 10 JGCBRL O=C(NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000016427960 527434405 /nfs/dbraw/zinc/43/44/05/527434405.db2.gz BCPMIXGWRFIWPT-WQLSENKSSA-N -2 0 490.226 3.192 40 10 JGCBRL O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)SC1=S ZINC000040567595 527594249 /nfs/dbraw/zinc/59/42/49/527594249.db2.gz TXXPZJFDLOAWHF-GRRFOWRYSA-N -3 0 461.473 3.164 40 10 JGCBRL COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)C(=O)[N-]C2=S)c(OC)c1 ZINC000059594577 569606990 /nfs/dbraw/zinc/60/69/90/569606990.db2.gz UIUWYNDSYMROOC-GZTJUZNOSA-N -2 0 478.482 3.493 40 10 JGCBRL O=C([O-])COc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br ZINC000034688676 569645619 /nfs/dbraw/zinc/64/56/19/569645619.db2.gz VIPPWSWZEVDLDA-SDQBBNPISA-N -2 0 451.660 3.027 40 10 JGCBRL O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1cccc([N+](=O)[O-])c1 ZINC000104366686 569845373 /nfs/dbraw/zinc/84/53/73/569845373.db2.gz DKKOAESQAFUSIQ-ZCXUNETKSA-N -2 0 453.410 3.362 40 10 JGCBRL COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000108211097 569859026 /nfs/dbraw/zinc/85/90/26/569859026.db2.gz WJLKIJJXTBRBLZ-ODLFYWEKSA-N -2 0 489.440 3.342 40 10 JGCBRL O=C([O-])COc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(Cl)c2Cl)C1=O ZINC000408847911 570054932 /nfs/dbraw/zinc/05/49/32/570054932.db2.gz WSZZCDJGEJYKPH-DHZHZOJOSA-N -2 0 451.287 3.288 40 10 JGCBRL Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc([N+](=O)[O-])cc(Br)c3[O-])C2=O)c1 ZINC000408898345 570067738 /nfs/dbraw/zinc/06/77/38/570067738.db2.gz LITHFLUKWVVWCH-VGOFMYFVSA-N -2 0 460.240 3.346 40 10 JGCBRL O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1Cl ZINC000408915464 570075244 /nfs/dbraw/zinc/07/52/44/570075244.db2.gz VQRCFRCYIXZLDC-UUILKARUSA-N -2 0 453.209 3.262 40 10 JGCBRL O=C([O-])COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000409045259 570108549 /nfs/dbraw/zinc/10/85/49/570108549.db2.gz IHFIYMVVPXCOBM-RIYZIHGNSA-N -2 0 479.670 3.232 40 10 JGCBRL Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2O[C@H](C)C(=O)[O-])C1=O ZINC000409190039 570161625 /nfs/dbraw/zinc/16/16/25/570161625.db2.gz VCURWNMJEVPPQT-JXCQQFQQSA-N -2 0 473.279 3.276 40 10 JGCBRL C[C@@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(Br)c2)C1=O)C(=O)[O-] ZINC000409191267 570161934 /nfs/dbraw/zinc/16/19/34/570161934.db2.gz FSZIYLRCBHKQRQ-BTAWCLGRSA-N -2 0 475.320 3.132 40 10 JGCBRL COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C(=O)[N-]C2=S)c(OC)c1 ZINC000009323547 555096743 /nfs/dbraw/zinc/09/67/43/555096743.db2.gz CUSIHKWWTQBQNK-BOPFTXTBSA-N -2 0 478.482 3.493 40 10 JGCBRL CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1C(=O)[O-] ZINC000010038284 555604355 /nfs/dbraw/zinc/60/43/55/555604355.db2.gz TWIYGWBLOGTKCF-XNTDXEJSSA-N -2 0 459.252 3.212 40 10 JGCBRL CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1O[C@@H](C)C(=O)[O-] ZINC000033849999 569636174 /nfs/dbraw/zinc/63/61/74/569636174.db2.gz MQGXPUXZWAPJFP-ZENNRRHLSA-N -2 0 475.295 3.161 40 10 JGCBRL O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000083327230 569708692 /nfs/dbraw/zinc/70/86/92/569708692.db2.gz OEUXGSPWHACLHC-WUXMJOGZSA-N -2 0 477.183 3.478 40 10 JGCBRL CC(=O)Nc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccccc1)C(S(=O)(=O)[O-])=C2 ZINC000101086181 569781932 /nfs/dbraw/zinc/78/19/32/569781932.db2.gz RSNSKUBBVCGSND-MRCUWXFGSA-N -2 0 465.465 3.413 40 10 JGCBRL O=C1[N-]C(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000408722556 570027269 /nfs/dbraw/zinc/02/72/69/570027269.db2.gz KLOQFLVAIZHUSZ-ONNFQVAWSA-N -2 0 483.245 3.347 40 10 JGCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000408785611 570042935 /nfs/dbraw/zinc/04/29/35/570042935.db2.gz ICSUDJBRMWWZAO-OVCLIPMQSA-N -2 0 458.854 3.177 40 10 JGCBRL Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)o1 ZINC000408956425 570085005 /nfs/dbraw/zinc/08/50/05/570085005.db2.gz WRIIJRMFHCYNJK-LICLKQGHSA-N -2 0 460.398 3.348 40 10 JGCBRL O=C([O-])c1ccc(COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)c2)cc1 ZINC000409071722 570118483 /nfs/dbraw/zinc/11/84/83/570118483.db2.gz IAIPQUARFOXVFI-BKUYFWCQSA-N -2 0 458.426 3.336 40 10 JGCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000409187714 570160984 /nfs/dbraw/zinc/16/09/84/570160984.db2.gz AWMBNAKMMBNYLY-YBFXNURJSA-N -2 0 460.515 3.327 40 10 JGCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(Cl)cc1OC ZINC000409192550 570162382 /nfs/dbraw/zinc/16/23/82/570162382.db2.gz YPHLTISJJIJGBB-RIYZIHGNSA-N -2 0 460.895 3.277 40 10 JGCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000409210738 570169586 /nfs/dbraw/zinc/16/95/86/570169586.db2.gz MGPRLGWDHNYKSY-ONNFQVAWSA-N -2 0 452.206 3.282 40 10 JGCBRL O=C1C=C(S(=O)(=O)[O-])C=C2C(=NNc3ccc([N+](=O)[O-])c(S(=O)(=O)[O-])c3)C=CC(O)=C12 ZINC000004409142 194389332 /nfs/dbraw/zinc/38/93/32/194389332.db2.gz CPRQPOGKOSXTEW-ISLYRVAYSA-N -2 0 469.409 3.068 40 10 JGCBRL CCOc1cccc(N2C(=O)/C(=C\c3cccn3-c3cccc(C(=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000009263196 194644853 /nfs/dbraw/zinc/64/48/53/194644853.db2.gz PBUJGKIUFUWCAH-ZHZULCJRSA-N -2 0 461.499 3.406 40 10 JGCBRL CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)[O-])C2=O)c1 ZINC000059105263 195388639 /nfs/dbraw/zinc/38/86/39/195388639.db2.gz JRDDUSCLWVLIKV-LFIBNONCSA-N -2 0 454.435 3.454 40 10 JGCBRL O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000059248682 195395867 /nfs/dbraw/zinc/39/58/67/195395867.db2.gz ONMVHFAUIFXUBN-NTUHNPAUSA-N -2 0 495.738 3.397 40 10 JGCBRL O=C1c2c(O)cc(S(=O)(=O)[O-])cc2C=C(S(=O)(=O)[O-])C1=NNc1ccc([N+](=O)[O-])cc1 ZINC000008615212 527345945 /nfs/dbraw/zinc/34/59/45/527345945.db2.gz UFCRMQZBTRPTQR-ZCXUNETKSA-N -2 0 469.409 3.068 40 10 JGCBRL CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000032115726 556423036 /nfs/dbraw/zinc/42/30/36/556423036.db2.gz QDHJNHCJCSFIKV-MFVBVHDHSA-N -2 0 454.435 3.453 40 10 JGCBRL COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000033370917 569625149 /nfs/dbraw/zinc/62/51/49/569625149.db2.gz NXKFLOZODXZKRY-ODLFYWEKSA-N -2 0 489.440 3.342 40 10 JGCBRL COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000033653676 569629691 /nfs/dbraw/zinc/62/96/91/569629691.db2.gz MERQBVPBXDXDBR-GARZTLJTSA-N -2 0 495.713 3.424 40 10 JGCBRL CCOc1ccccc1NC(=O)CC(=O)n1[n-]c(C)c(N=Nc2ccccc2C(=O)[O-])c1=O ZINC000104219154 569843293 /nfs/dbraw/zinc/84/32/93/569843293.db2.gz KQVVSDSWLSPFGY-CPSPCKPPSA-N -2 0 451.439 3.009 40 10 JGCBRL Cc1[n-]n(C(=O)c2ccc(Cl)cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000104225889 569843354 /nfs/dbraw/zinc/84/33/54/569843354.db2.gz HRJNALBHZAXUKU-AJYIMBPMSA-N -2 0 497.924 3.442 40 10 JGCBRL CC(=O)Nc1ccc(NN=C2C(=O)c3ccc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])cc1 ZINC000104221741 569843373 /nfs/dbraw/zinc/84/33/73/569843373.db2.gz BCHLQGHKTNGLNI-MRCUWXFGSA-N -2 0 465.465 3.413 40 10 JGCBRL COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000408742517 570032703 /nfs/dbraw/zinc/03/27/03/570032703.db2.gz RKELAHXYGLWDFN-WUXMJOGZSA-N -2 0 492.307 3.211 40 10 JGCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(Br)c(C)c2)C1=O ZINC000408760424 570036629 /nfs/dbraw/zinc/03/66/29/570036629.db2.gz YMCXEZZCZQBUSB-KTZOAPACSA-N -2 0 481.306 3.306 40 10 JGCBRL COc1ccc2ccc(OC)c(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c2c1 ZINC000409192103 570162255 /nfs/dbraw/zinc/16/22/55/570162255.db2.gz ACOYJNKTRZQBPO-XDHOZWIPSA-N -2 0 462.483 3.387 40 10 JGCBRL Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccccc2O[C@H](C)C(=O)[O-])C(=O)[N-]C1=S ZINC000409192372 570162345 /nfs/dbraw/zinc/16/23/45/570162345.db2.gz BPRMDZIEJZWBRU-JXCQQFQQSA-N -2 0 489.347 3.441 40 10 JGCBRL COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)o1 ZINC000409193999 570162833 /nfs/dbraw/zinc/16/28/33/570162833.db2.gz KCJKBXXZZGRHLD-LDADJPATSA-N -2 0 476.466 3.263 40 10 JGCBRL CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C(=O)[O-])ccc3OCC)C2=O)cc1OC ZINC000409215410 570172069 /nfs/dbraw/zinc/17/20/69/570172069.db2.gz YGCGEYRFYIPCOR-SFQUDFHCSA-N -2 0 468.462 3.247 40 10 JGCBRL COc1ccccc1NN=C1C(=O)c2c(cc(S(=O)(=O)[O-])cc2NC(C)=O)C=C1S(=O)(=O)[O-] ZINC000004705990 194393857 /nfs/dbraw/zinc/39/38/57/194393857.db2.gz GWWYFEYLWLUZFT-QURGRASLSA-N -2 0 495.491 3.421 40 10 JGCBRL CC(=O)Nc1ccc(/N=N/c2c(N)ccc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c32)cc1 ZINC000004523127 519709080 /nfs/dbraw/zinc/70/90/80/519709080.db2.gz QQXVTEKGAYZFAX-QURGRASLSA-N -2 0 464.481 3.289 40 10 JGCBRL Cc1cc([O-])c(Sc2nc[nH]n2)cc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000008871879 554767813 /nfs/dbraw/zinc/76/78/13/554767813.db2.gz UYWAGIZFCPDSND-UHFFFAOYSA-N -2 0 453.505 3.490 40 10 JGCBRL CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000100334475 569757746 /nfs/dbraw/zinc/75/77/46/569757746.db2.gz HMMJBTDPNPTRQK-QTJUSOIVSA-N -2 0 492.517 3.301 40 10 JGCBRL CCOc1ccccc1NC(=O)CC(=O)n1[n-]c(C)c(N=Nc2ccccc2C(=O)[O-])c1=O ZINC000104219158 569843271 /nfs/dbraw/zinc/84/32/71/569843271.db2.gz KQVVSDSWLSPFGY-NZXNHFJFSA-N -2 0 451.439 3.009 40 10 JGCBRL O=C([O-])c1ccc(COc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000108063563 569858463 /nfs/dbraw/zinc/85/84/63/569858463.db2.gz LYVCVJMVKBRVGJ-MOSHPQCFSA-N -2 0 459.414 3.333 40 10 JGCBRL CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)o2)C1=O ZINC000205757144 569874288 /nfs/dbraw/zinc/87/42/88/569874288.db2.gz BGIJRTWSSLRBGY-LZYBPNLTSA-N -2 0 459.432 3.331 40 10 JGCBRL O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000408786071 570043129 /nfs/dbraw/zinc/04/31/29/570043129.db2.gz LALTZMJKYPLTEK-NTUHNPAUSA-N -2 0 479.670 3.232 40 10 JGCBRL Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)C1=O ZINC000408843933 570054100 /nfs/dbraw/zinc/05/41/00/570054100.db2.gz BFZGQQISJHVNPY-SEJMYLSOSA-N -2 0 473.279 3.276 40 10 JGCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000408849553 570055174 /nfs/dbraw/zinc/05/51/74/570055174.db2.gz XGCPOBOUYVGIPU-UDWIEESQSA-N -3 0 487.468 3.465 40 10 JGCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000408851544 570055527 /nfs/dbraw/zinc/05/55/27/570055527.db2.gz LAKVTHQEEKQXLM-UDWIEESQSA-N -3 0 473.441 3.157 40 10 JGCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000409046253 570108871 /nfs/dbraw/zinc/10/88/71/570108871.db2.gz JPBHDIDVYMCXRX-WUXMJOGZSA-N -2 0 479.272 3.440 40 10 JGCBRL CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000409188554 570161190 /nfs/dbraw/zinc/16/11/90/570161190.db2.gz DBLXZGDKMZWTFZ-RIYZIHGNSA-N -2 0 460.895 3.277 40 10 JGCBRL Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2O[C@@H](C)C(=O)[O-])C1=O ZINC000409190040 570161576 /nfs/dbraw/zinc/16/15/76/570161576.db2.gz VCURWNMJEVPPQT-XBUHWIKASA-N -2 0 473.279 3.276 40 10 JGCBRL O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)[N-]C2=S)cc1 ZINC000409190088 570161636 /nfs/dbraw/zinc/16/16/36/570161636.db2.gz WCRWLIVQPSRLSX-WJDWOHSUSA-N -2 0 463.427 3.384 40 10 JGCBRL CN(C)c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409192370 570162412 /nfs/dbraw/zinc/16/24/12/570162412.db2.gz BLOPYYDOAKCFOX-XSFVSMFZSA-N -2 0 460.515 3.073 40 10 JGCBRL