smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1C(=O)[O-] ZINC000226858411 201788970 /nfs/dbraw/zinc/78/89/70/201788970.db2.gz ZSHNIWRHNVKFGI-UHFFFAOYSA-N -2 0 307.327 2.200 40 0 DEABRL O=C([O-])c1ccc(-c2ccc([C@@H]3NC[C@@H](C(=O)[O-])S3)o2)cc1 ZINC000408980747 227249531 /nfs/dbraw/zinc/24/95/31/227249531.db2.gz XBIFKUWZXYWJIJ-QWHCGFSZSA-N -2 0 319.338 2.433 40 0 DEABRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccoc2)cc1 ZINC000349045226 146344110 /nfs/dbraw/zinc/34/41/10/146344110.db2.gz YPFBLNONZDLHGA-UHFFFAOYSA-N -2 0 309.343 2.443 40 0 DEABRL O=C([O-])c1ccc(-c2ccc([C@H]3NC[C@H](C(=O)[O-])S3)o2)cc1 ZINC000408980746 227249504 /nfs/dbraw/zinc/24/95/04/227249504.db2.gz XBIFKUWZXYWJIJ-OLZOCXBDSA-N -2 0 319.338 2.433 40 0 DEABRL Cc1n[nH]c(SC(=Cc2ccc(C(=O)[O-])cc2)C(=O)[O-])n1 ZINC000006588245 181358172 /nfs/dbraw/zinc/35/81/72/181358172.db2.gz MHPOHFGFNHUORR-POHAHGRESA-N -2 0 305.315 2.029 40 0 DEABRL O=C([O-])c1cc(NC(=O)c2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC000012020611 401778809 /nfs/dbraw/zinc/77/88/09/401778809.db2.gz JUOCCBDXLUMDBN-UHFFFAOYSA-N -2 0 303.245 2.474 40 0 DEABRL O=c1cc(-c2ccccc2)[n-]n1-c1cccc(S(=O)(=O)[O-])c1 ZINC000034184997 354161033 /nfs/dbraw/zinc/16/10/33/354161033.db2.gz OZRQQVLADXSFTD-UHFFFAOYSA-N -2 0 316.338 2.492 40 0 DEABRL O=C([O-])c1cc(OCC(=O)Nc2ccccc2)cc(C(=O)[O-])c1 ZINC000217725960 402293593 /nfs/dbraw/zinc/29/35/93/402293593.db2.gz XOBRYTRLAUBHFM-UHFFFAOYSA-N -2 0 315.281 2.101 40 0 DEABRL COc1ccc2c(c1)CC[C@H]1C2=CC[C@H](C(=O)[O-])[C@@H]1C(=O)[O-] ZINC000004776201 295260155 /nfs/dbraw/zinc/26/01/55/295260155.db2.gz KKHOCXPWZHHXOR-SOUVJXGZSA-N -2 0 302.326 2.446 40 0 DEABRL CCc1n[n-]c(=S)n1N=Cc1ccc(OCCC(=O)[O-])cc1 ZINC000043921732 354228852 /nfs/dbraw/zinc/22/88/52/354228852.db2.gz GGPFQXAISNGPKX-OQLLNIDSSA-N -2 0 320.374 2.239 40 0 DEABRL O=C([O-])c1cccc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])c1 ZINC000004157321 304263080 /nfs/dbraw/zinc/26/30/80/304263080.db2.gz KMMUTTCATNQTLO-DTVLGXAZSA-N -2 0 303.314 2.070 40 0 DEABRL Cc1c(C)c(O)c(S[C@H](CC(=O)[O-])C(=O)[O-])c(C)c1O ZINC000001757398 401710381 /nfs/dbraw/zinc/71/03/81/401710381.db2.gz QGJOBKJOOBIBDE-MRVPVSSYSA-N -2 0 300.332 2.043 40 0 DEABRL O=c1cc(-c2ccccc2)[n-]n1-c1ccc(S(=O)(=O)[O-])cc1 ZINC000002775311 401718041 /nfs/dbraw/zinc/71/80/41/401718041.db2.gz UZUUYQOTXOKDCW-UHFFFAOYSA-N -2 0 316.338 2.079 40 0 DEABRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)C(=O)[O-])cc1 ZINC000073641555 191335528 /nfs/dbraw/zinc/33/55/28/191335528.db2.gz NRYHMEPMIBBCHN-UHFFFAOYSA-N -2 0 319.338 2.063 40 0 DEABRL CC(C)(C)OC(=O)N[C@](CCC(=O)[O-])(C(=O)[O-])C(C)(C)C ZINC000064219654 402117906 /nfs/dbraw/zinc/11/79/06/402117906.db2.gz UMLRIKPLYRMRGT-CQSZACIVSA-N -2 0 303.355 2.245 40 0 DEABRL O=C([O-])c1ccc(-c2ccc([C@@H]3NC[C@H](C(=O)[O-])S3)o2)cc1 ZINC000408980745 227249118 /nfs/dbraw/zinc/24/91/18/227249118.db2.gz XBIFKUWZXYWJIJ-CHWSQXEVSA-N -2 0 319.338 2.433 40 0 DEABRL CCc1nc(SC(=Cc2ccc(C(=O)[O-])cc2)C(=O)[O-])n[nH]1 ZINC000213401377 356270636 /nfs/dbraw/zinc/27/06/36/356270636.db2.gz FFGFVRAPHXRRHS-YFHOEESVSA-N -2 0 319.342 2.283 40 0 DEABRL Cc1c(C)c(O)c(S[C@@H](CC(=O)[O-])C(=O)[O-])c(C)c1O ZINC000002033616 401711750 /nfs/dbraw/zinc/71/17/50/401711750.db2.gz QGJOBKJOOBIBDE-QMMMGPOBSA-N -2 0 300.332 2.043 40 0 DEABRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nccs2)ccc1Cl ZINC000020003369 256527915 /nfs/dbraw/zinc/52/79/15/256527915.db2.gz PGUBVFDNBMUUNL-UHFFFAOYSA-N -2 0 318.763 2.296 40 0 DEABRL Cc1c(NC(=O)c2cccnc2C(=O)[O-])cccc1C(=O)[O-] ZINC000004649245 181132201 /nfs/dbraw/zinc/13/22/01/181132201.db2.gz YQYMEMXURNUORK-UHFFFAOYSA-N -2 0 300.270 2.039 40 0 DEABRL O=C([O-])CC[C@H](NC(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000008628530 181569949 /nfs/dbraw/zinc/56/99/49/181569949.db2.gz DGMFARLQEAXXKN-QMMMGPOBSA-N -2 0 320.128 2.041 40 0 in-vivo DEABRL O=C([O-])c1ccc(CS(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC000001624296 401708957 /nfs/dbraw/zinc/70/89/57/401708957.db2.gz RWCUKPZNHXZFIN-UHFFFAOYSA-N -2 0 320.322 2.057 40 0 DEABRL O=C([O-])COc1cc([O-])c(C(=O)/C=C\c2ccccc2)c(O)c1 ZINC000012375795 401784710 /nfs/dbraw/zinc/78/47/10/401784710.db2.gz RWFMSCOTPGGRRL-SREVYHEPSA-N -2 0 314.293 2.457 40 0 DEABRL O=C([O-])c1ccc(C(=O)[O-])c(NC(=O)c2ccc(F)cc2)c1 ZINC000013391914 304239798 /nfs/dbraw/zinc/23/97/98/304239798.db2.gz MWMGNUFKZFPGOK-UHFFFAOYSA-N -2 0 303.245 2.474 40 0 DEABRL Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000004190899 301533133 /nfs/dbraw/zinc/53/31/33/301533133.db2.gz PXQIGKWTPGQAPX-QOBDMFJFSA-N -2 0 317.341 2.379 40 0 DEABRL O=C([O-])c1cccc(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])c1 ZINC000001508506 304263288 /nfs/dbraw/zinc/26/32/88/304263288.db2.gz KMMUTTCATNQTLO-PSJXJDHFSA-N -2 0 303.314 2.070 40 0 DEABRL COc1ccc2c(c1)CC(CCC(=O)[O-])(CCC(=O)[O-])C2=O ZINC000003851975 181049712 /nfs/dbraw/zinc/04/97/12/181049712.db2.gz DEBCNQBIEXFKAI-UHFFFAOYSA-N -2 0 306.314 2.150 40 0 DEABRL Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000004190901 181083910 /nfs/dbraw/zinc/08/39/10/181083910.db2.gz PXQIGKWTPGQAPX-OAACRXHESA-N -2 0 317.341 2.379 40 0 DEABRL O=c1cc(-c2ccccc2)[n-]n1-c1ccc(S(=O)(=O)[O-])cc1 ZINC000139191021 355874503 /nfs/dbraw/zinc/87/45/03/355874503.db2.gz KDJVQWVFKDCHCF-UHFFFAOYSA-N -2 0 316.338 2.492 40 0 DEABRL CCc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000548860855 285808654 /nfs/dbraw/zinc/80/86/54/285808654.db2.gz CXPFFWCKUPPARU-UHFFFAOYSA-N -2 0 324.358 2.353 40 0 DEABRL CSCCC(C(=O)[O-])N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000000000212 1024376054 /nfs/dbraw/zinc/37/60/54/1024376054.db2.gz FTBWWORDOHNJDB-NSHDSACASA-N -2 0 308.186 2.269 40 0 in-man DEABRL CC(C)(C)OC(=O)N[C@@](CCC(=O)[O-])(C(=O)[O-])C(C)(C)C ZINC000064219655 184292666 /nfs/dbraw/zinc/29/26/66/184292666.db2.gz UMLRIKPLYRMRGT-AWEZNQCLSA-N -2 0 303.355 2.245 40 0 DEABRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1 ZINC000006269927 181324988 /nfs/dbraw/zinc/32/49/88/181324988.db2.gz XLMCHCOTBHDABJ-UHFFFAOYSA-N -2 0 307.327 2.194 40 0 DEABRL COC(=O)c1cc(C)cc([O-])c1C(=O)c1c([O-])cccc1O ZINC000036375397 401905171 /nfs/dbraw/zinc/90/51/71/401905171.db2.gz HZZOIPFDIKYDFZ-UHFFFAOYSA-N -2 0 302.282 2.129 40 0 biogenic,in-vitro DEABRL O=c1cc(-c2ccccc2)[n-]n1-c1ccc(S(=O)(=O)[O-])cc1 ZINC000016478013 182046854 /nfs/dbraw/zinc/04/68/54/182046854.db2.gz NCXSAFDRROSFDJ-UHFFFAOYSA-N -2 0 316.338 2.074 40 0 DEABRL O=C([O-])c1ccc(C(=O)c2cc(C(=O)[O-])ccc2C(=O)[O-])cc1 ZINC000000315110 401694277 /nfs/dbraw/zinc/69/42/77/401694277.db2.gz SGKSQSJLZBTPEL-UHFFFAOYSA-N -3 0 314.249 2.012 40 0 DEABRL O=C(Oc1ccccc1Cl)c1ccccc1P(=O)([O-])[O-] ZINC000002776550 401717998 /nfs/dbraw/zinc/71/79/98/401717998.db2.gz BNNVLTZPETUJOP-UHFFFAOYSA-N -2 0 312.645 2.362 40 0 DEABRL O=C([O-])c1ccc(C(=O)[O-])c(NC(=O)c2ccccc2F)c1 ZINC000013391942 401799575 /nfs/dbraw/zinc/79/95/75/401799575.db2.gz REIRCVGRZIVRDV-UHFFFAOYSA-N -2 0 303.245 2.474 40 0 DEABRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000020005532 401822749 /nfs/dbraw/zinc/82/27/49/401822749.db2.gz LUTIJSPZIGNGDL-UHFFFAOYSA-N -2 0 313.281 2.464 40 0 DEABRL O=C([O-])CC[C@@H](NC(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000001723137 401710350 /nfs/dbraw/zinc/71/03/50/401710350.db2.gz DGMFARLQEAXXKN-MRVPVSSYSA-N -2 0 320.128 2.041 40 0 in-vivo DEABRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000517158851 269378361 /nfs/dbraw/zinc/37/83/61/269378361.db2.gz QTFWFMKORUPQSA-UHFFFAOYSA-N -2 0 316.360 2.160 40 0 DEABRL Cc1oc(C)c(S(=O)(=O)[N-]c2cccs2)c1C(=O)[O-] ZINC000003881285 181051824 /nfs/dbraw/zinc/05/18/24/181051824.db2.gz BSKLZAJYYTUMBV-UHFFFAOYSA-N -2 0 301.345 2.457 40 0 in-vitro DEABRL CCCCCCC1C(=O)N=C(SCCC(=O)[O-])N=C1[O-] ZINC000009056960 401758812 /nfs/dbraw/zinc/75/88/12/401758812.db2.gz WFWPQHHIIQXEGH-UHFFFAOYSA-N -2 0 300.380 2.165 40 0 DEABRL CCOc1cc(C(=O)[O-])cc(Br)c1OCC(=O)[O-] ZINC000007604117 354003900 /nfs/dbraw/zinc/00/39/00/354003900.db2.gz WMFKQYHXRQLXFV-UHFFFAOYSA-N -2 0 319.107 2.009 40 0 DEABRL O=C([O-])[C@H](c1ccc(O)cc1)[C@H](C(=O)[O-])c1ccc(O)cc1 ZINC000017299719 304174095 /nfs/dbraw/zinc/17/40/95/304174095.db2.gz NIMYOZMXBOTEAX-ZIAGYGMSSA-N -2 0 302.282 2.134 40 0 DEABRL O=C([O-])c1cccc(C(=O)[O-])c1[S@](=O)Cc1ccccc1 ZINC000001572808 180874638 /nfs/dbraw/zinc/87/46/38/180874638.db2.gz CKAKBIDWQALZDX-NRFANRHFSA-N -2 0 304.323 2.391 40 0 in-vitro DEABRL CCc1oncc1[N-]S(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1 ZINC000337879259 404289246 /nfs/dbraw/zinc/28/92/46/404289246.db2.gz WXGAVNSABPDNNT-UHFFFAOYSA-N -2 0 324.358 2.298 40 0 DEABRL O=C([O-])c1cccc(C(=O)[O-])c1[S@@](=O)Cc1ccccc1 ZINC000005662934 181268785 /nfs/dbraw/zinc/26/87/85/181268785.db2.gz CKAKBIDWQALZDX-OAQYLSRUSA-N -2 0 304.323 2.391 40 0 in-vitro DEABRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O ZINC000226857434 402330169 /nfs/dbraw/zinc/33/01/69/402330169.db2.gz GTLUSJSGSZKPQU-UHFFFAOYSA-N -2 0 307.327 2.200 40 0 DEABRL O=C([O-])c1ccccc1-c1ccc([C@H]2NC[C@H](C(=O)[O-])S2)o1 ZINC000408975331 227249280 /nfs/dbraw/zinc/24/92/80/227249280.db2.gz AIZABBNEXDLDDS-OLZOCXBDSA-N -2 0 319.338 2.433 40 0 DEABRL O=C([O-])c1ccccc1-c1ccc([C@@H]2NC[C@@H](C(=O)[O-])S2)o1 ZINC000408975332 227249714 /nfs/dbraw/zinc/24/97/14/227249714.db2.gz AIZABBNEXDLDDS-QWHCGFSZSA-N -2 0 319.338 2.433 40 0 DEABRL Cc1nnc(S/C(=C\c2ccc(C(=O)[O-])cc2)C(=O)[O-])o1 ZINC000007603711 354004650 /nfs/dbraw/zinc/00/46/50/354004650.db2.gz CXMJJKWMCHNDQH-POHAHGRESA-N -2 0 306.299 2.294 40 0 DEABRL O=C([O-])c1ncc(-c2cccc(Br)c2)nc1C(=O)[O-] ZINC000035572196 304283712 /nfs/dbraw/zinc/28/37/12/304283712.db2.gz KLBAHSNTSXLUIH-UHFFFAOYSA-N -2 0 323.102 2.303 40 0 DEABRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2nccs2)c1 ZINC000021796886 182289799 /nfs/dbraw/zinc/28/97/99/182289799.db2.gz UMDKHNBBDTUOMX-UHFFFAOYSA-N -2 0 318.763 2.296 40 0 DEABRL O=C([O-])c1ccccc1-c1ccc([C@H]2NC[C@@H](C(=O)[O-])S2)o1 ZINC000408975333 304266893 /nfs/dbraw/zinc/26/68/93/304266893.db2.gz AIZABBNEXDLDDS-STQMWFEESA-N -2 0 319.338 2.433 40 0 DEABRL N=C1O[C@H](c2ccc([C@H]3OC(=N)C(O)=C3[O-])cc2)C([O-])=C1O ZINC000104239980 402201561 /nfs/dbraw/zinc/20/15/61/402201561.db2.gz LUVGEWJRZDBOAQ-VXGBXAGGSA-N -2 0 304.258 2.439 40 0 DEABRL Cc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1 ZINC000033447405 401890778 /nfs/dbraw/zinc/89/07/78/401890778.db2.gz NKGGSIBFKHLRGF-SREVYHEPSA-N -2 0 318.354 2.289 40 0 DEABRL COc1cc(Nc2ncccc2C(=O)[O-])c(C(=O)[O-])cc1OC ZINC000223177770 402310062 /nfs/dbraw/zinc/31/00/62/402310062.db2.gz BBMMRSOKWPJAGJ-UHFFFAOYSA-N -2 0 318.285 2.239 40 0 DEABRL O=C([O-])[C@]1(Cc2ccccc2)C[C@@H](O)[C@H]2CC=CC[C@]21C(=O)[O-] ZINC000025664984 401835892 /nfs/dbraw/zinc/83/58/92/401835892.db2.gz KIORNFNPEAGWAZ-KJWYOANISA-N -2 0 316.353 2.102 40 0 DEABRL Cc1cc(S(=O)(=O)[N-]c2c(C)noc2C)sc1C(=O)[O-] ZINC000299484586 229144842 /nfs/dbraw/zinc/14/48/42/229144842.db2.gz GMUVKQCQTIZFQM-UHFFFAOYSA-N -2 0 316.360 2.160 40 0 DEABRL O=C([O-])[C@@H]1[C@@H]2c3ccccc3[C@@]1(C(=O)[O-])C(=O)c1ccccc12 ZINC000004536723 304159619 /nfs/dbraw/zinc/15/96/19/304159619.db2.gz PJNAHQDXNCOGAI-DEYYWGMASA-N -2 0 308.289 2.052 40 0 DEABRL CC(C)OCCCn1c(=O)c2ccc(C(=O)[O-])cc2[n-]c1=S ZINC000015424396 182001952 /nfs/dbraw/zinc/00/19/52/182001952.db2.gz OHPHMRVTGITNOW-UHFFFAOYSA-N -2 0 322.386 2.199 40 0 DEABRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2O)cc1 ZINC000146095342 186037772 /nfs/dbraw/zinc/03/77/72/186037772.db2.gz CJQHKYGLFVEPPJ-UHFFFAOYSA-N -2 0 307.327 2.200 40 0 DEABRL O=C([O-])C[C@@H](SCC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000016400711 304074714 /nfs/dbraw/zinc/07/47/14/304074714.db2.gz JHJKOKQRFFIVKD-SNVBAGLBSA-N -2 0 302.735 2.184 40 0 DEABRL O=C([O-])C[C@H](SCC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000016400712 304082256 /nfs/dbraw/zinc/08/22/56/304082256.db2.gz JHJKOKQRFFIVKD-JTQLQIEISA-N -2 0 302.735 2.184 40 0 DEABRL O=C([O-])[C@@H]1[C@H]2c3ccccc3[C@]1(C(=O)[O-])C(=O)c1ccccc12 ZINC000004536722 304162585 /nfs/dbraw/zinc/16/25/85/304162585.db2.gz PJNAHQDXNCOGAI-QWQRMKEZSA-N -2 0 308.289 2.052 40 0 DEABRL COc1ccc2c(c1)CC[C@H]1C2=CC[C@@H](C(=O)[O-])[C@@H]1C(=O)[O-] ZINC000004776203 295260251 /nfs/dbraw/zinc/26/02/51/295260251.db2.gz KKHOCXPWZHHXOR-RRFJBIMHSA-N -2 0 302.326 2.446 40 0 DEABRL O=C([O-])[C@@H](c1ccc(O)cc1)[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000017299715 304096876 /nfs/dbraw/zinc/09/68/76/304096876.db2.gz NIMYOZMXBOTEAX-KBPBESRZSA-N -2 0 302.282 2.134 40 0 DEABRL O=C([O-])c1ccc2c(=O)n(Cc3cccs3)c(=S)[n-]c2c1 ZINC000015424410 182001954 /nfs/dbraw/zinc/00/19/54/182001954.db2.gz SYNXQTXCLIFFRR-UHFFFAOYSA-N -2 0 318.379 2.493 40 0 DEABRL O=C([O-])[C@@H](c1ccc(O)cc1)[C@H](C(=O)[O-])c1ccc(O)cc1 ZINC000001668812 304096972 /nfs/dbraw/zinc/09/69/72/304096972.db2.gz NIMYOZMXBOTEAX-OKILXGFUSA-N -2 0 302.282 2.134 40 0 DEABRL O=[P@]([O-])(CC[P@](=O)([O-])c1ccccc1)c1ccccc1 ZINC000001600154 401709281 /nfs/dbraw/zinc/70/92/81/401709281.db2.gz FYLYSEXHKNLCOF-UHFFFAOYSA-N -2 0 310.226 2.178 40 0 in-vitro DEABRL Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2)sc1C(=O)[O-] ZINC000011851249 401777373 /nfs/dbraw/zinc/77/73/73/401777373.db2.gz VEJVZDJWAFFPQR-UHFFFAOYSA-N -2 0 312.372 2.259 40 0 DEABRL O=C([O-])c1ccccc1-c1ccc([C@@H]2NC[C@H](C(=O)[O-])S2)o1 ZINC000408975330 227249443 /nfs/dbraw/zinc/24/94/43/227249443.db2.gz AIZABBNEXDLDDS-CHWSQXEVSA-N -2 0 319.338 2.433 40 0 DEABRL O=C([O-])c1ccc(-c2ccc([C@H]3NC[C@@H](C(=O)[O-])S3)o2)cc1 ZINC000408980748 227249699 /nfs/dbraw/zinc/24/96/99/227249699.db2.gz XBIFKUWZXYWJIJ-STQMWFEESA-N -2 0 319.338 2.433 40 0 DEABRL O=C([O-])c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1O ZINC000016449358 182044891 /nfs/dbraw/zinc/04/48/91/182044891.db2.gz HEHCTXKLVIEEGL-UHFFFAOYSA-N -2 0 301.254 2.041 40 0 DEABRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ccoc2)cc1 ZINC000349088105 146348999 /nfs/dbraw/zinc/34/89/99/146348999.db2.gz XSQNNNRXDPWEOP-UHFFFAOYSA-N -2 0 309.343 2.488 40 0 DEABRL