smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@](NCc1cc([O-])ccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001589129608 956188567 /nfs/dbraw/zinc/18/85/67/956188567.db2.gz VTEPHHHQOGSYSZ-MRXNPFEDSA-N -2 1 316.313 2.390 20 5 DEBDML C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000833812366 605597068 /nfs/dbraw/zinc/59/70/68/605597068.db2.gz IYHVNRSNZGCHBT-WDEREUQCSA-N -2 1 323.349 2.169 20 5 DEBDML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC001608949545 1077727388 /nfs/dbraw/zinc/72/73/88/1077727388.db2.gz ZHBPZDYFUSXNRT-UHFFFAOYSA-N -2 1 322.298 2.094 20 5 DEBDML O=C([O-])c1cc(C(=O)Nc2ccc(F)cc2[O-])cc([N+](=O)[O-])c1 ZINC000833298323 604709468 /nfs/dbraw/zinc/70/94/68/604709468.db2.gz SBSJMVCBUJQGQD-UHFFFAOYSA-N -2 1 320.232 2.390 20 5 DEBDML O=C([O-])c1ccc(OCC(=O)c2ccc([O-])cc2)c([N+](=O)[O-])c1 ZINC001602387250 1069626363 /nfs/dbraw/zinc/62/63/63/1069626363.db2.gz JSYSPYKCVIBUKL-UHFFFAOYSA-N -2 1 317.253 2.260 20 5 DEBDML O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cncc([O-])c1 ZINC000186061315 144973992 /nfs/dbraw/zinc/97/39/92/144973992.db2.gz QXEGRTWMJQSJMH-UHFFFAOYSA-N -2 1 309.665 2.307 20 5 DEBDML Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C(=O)[O-])c1C ZINC001600457236 1077205654 /nfs/dbraw/zinc/20/56/54/1077205654.db2.gz RCDZQGDROPRXCD-UHFFFAOYSA-N -2 1 303.274 2.490 20 5 DEBDML CCC(=O)c1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000436829896 405147081 /nfs/dbraw/zinc/14/70/81/405147081.db2.gz BKYNXNYXARBMEZ-UHFFFAOYSA-N -2 1 303.274 2.474 20 5 DEBDML CC(C)c1sc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nc1C(=O)[O-] ZINC001592114753 976909346 /nfs/dbraw/zinc/90/93/46/976909346.db2.gz IPIWWSUHKNSPSN-UHFFFAOYSA-N -2 1 324.318 2.453 20 5 DEBDML O=C([O-])N1CCc2c1cccc2NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000831797349 603942858 /nfs/dbraw/zinc/94/28/58/603942858.db2.gz ICHTWXFPXHUETO-UHFFFAOYSA-N -2 1 316.273 2.216 20 5 DEBDML O=C([O-])c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc2[nH]ccc21 ZINC001601585698 1077414494 /nfs/dbraw/zinc/41/44/94/1077414494.db2.gz MVEDREBZAJRAFW-UHFFFAOYSA-N -2 1 314.257 2.355 20 5 DEBDML Cn1nc([N-]c2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1C1CC1 ZINC001608151913 1077600146 /nfs/dbraw/zinc/60/01/46/1077600146.db2.gz YKCINCCQFCGWQN-UHFFFAOYSA-N -2 1 303.278 2.043 20 5 DEBDML O=C([O-])c1cc(NC(=O)c2ccc([O-])c(F)c2)cc([N+](=O)[O-])c1 ZINC001602285351 1077541808 /nfs/dbraw/zinc/54/18/08/1077541808.db2.gz YSHSILHVUFPZPC-UHFFFAOYSA-N -2 1 320.232 2.390 20 5 DEBDML COc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000021363251 354048683 /nfs/dbraw/zinc/04/86/83/354048683.db2.gz PNFYGPJHMPIBND-UHFFFAOYSA-N -2 1 324.314 2.110 20 5 DEBDML O=C(Nc1nc(Cl)ccc1[O-])c1cccc([N+](=O)[O-])c1[O-] ZINC000789930004 643791663 /nfs/dbraw/zinc/79/16/63/643791663.db2.gz MLJXRGVUIMRYAG-UHFFFAOYSA-N -2 1 309.665 2.307 20 5 DEBDML O=C([O-])CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000336855395 403928812 /nfs/dbraw/zinc/92/88/12/403928812.db2.gz WJSCNWXRHPRHMH-UHFFFAOYSA-N -2 1 303.274 2.192 20 5 DEBDML O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC001608512998 1077648256 /nfs/dbraw/zinc/64/82/56/1077648256.db2.gz SDSCSRCJCGOTRP-WDEREUQCSA-N -2 1 315.285 2.363 20 5 DEBDML O=C([O-])c1ccccc1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001609025048 1077744729 /nfs/dbraw/zinc/74/47/29/1077744729.db2.gz ZZZYKPHZXFBZFE-UHFFFAOYSA-N -2 1 317.253 2.356 20 5 DEBDML O=C([O-])c1c[nH]c2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc12 ZINC001601612790 1077418492 /nfs/dbraw/zinc/41/84/92/1077418492.db2.gz YLBZVRZYOXKVNK-UHFFFAOYSA-N -2 1 314.257 2.355 20 5 DEBDML C[C@@H](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)C(=O)[O-] ZINC001592872141 979727970 /nfs/dbraw/zinc/72/79/70/979727970.db2.gz DTLGOTGUDPASHM-VIFPVBQESA-N -2 1 317.301 2.438 20 5 DEBDML CN(C)c1nc(Nc2cc(O)cc([N+](=O)[O-])c2)c(N=O)c(=O)[n-]1 ZINC001199819539 798536396 /nfs/dbraw/zinc/53/63/96/798536396.db2.gz XEZVHVIWGDCBSY-UHFFFAOYSA-N -2 1 320.265 2.004 20 5 DEBDML CC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1[O-] ZINC001295971108 1139667446 /nfs/dbraw/zinc/66/74/46/1139667446.db2.gz RBFWURXRWOQMHY-UHFFFAOYSA-N -2 1 316.269 2.461 20 5 DEBDML O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1[O-] ZINC000024100940 182375096 /nfs/dbraw/zinc/37/50/96/182375096.db2.gz FGUIPDBSXNHKCH-UHFFFAOYSA-N -2 1 312.278 2.240 20 5 DEBDML CC(C)CCS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000111657547 401720057 /nfs/dbraw/zinc/72/00/57/401720057.db2.gz ATEGYENDDBWORA-UHFFFAOYSA-N -2 1 316.335 2.081 20 5 DEBDML Cc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc(F)c1C(=O)[O-] ZINC001607548909 1071474966 /nfs/dbraw/zinc/47/49/66/1071474966.db2.gz VJGLNYNTRHMJLK-UHFFFAOYSA-N -2 1 307.237 2.321 20 5 DEBDML O=C([O-])c1sccc1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001609025229 1077744583 /nfs/dbraw/zinc/74/45/83/1077744583.db2.gz MHVZFQYQSMXVLO-UHFFFAOYSA-N -2 1 323.282 2.417 20 5 DEBDML O=C([O-])[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccsc1 ZINC001610878405 1078090687 /nfs/dbraw/zinc/09/06/87/1078090687.db2.gz VFUPLDAAEHEODM-NSHDSACASA-N -2 1 323.282 2.345 20 5 DEBDML COc1ccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c([O-])c1 ZINC000753976438 639369226 /nfs/dbraw/zinc/36/92/26/639369226.db2.gz NDGXCOMIJUYCLZ-UHFFFAOYSA-N -2 1 304.258 2.267 20 5 DEBDML O=C([O-])Nc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1F ZINC000740012691 600122677 /nfs/dbraw/zinc/12/26/77/600122677.db2.gz RVCAPEFWLOUNQO-UHFFFAOYSA-N -2 1 308.225 2.404 20 5 DEBDML C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000833812364 605597221 /nfs/dbraw/zinc/59/72/21/605597221.db2.gz IYHVNRSNZGCHBT-MNOVXSKESA-N -2 1 323.349 2.169 20 5 DEBDML O=C([O-])[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccsc1 ZINC001610878404 1078090976 /nfs/dbraw/zinc/09/09/76/1078090976.db2.gz VFUPLDAAEHEODM-LLVKDONJSA-N -2 1 323.282 2.345 20 5 DEBDML Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001600154781 1077148185 /nfs/dbraw/zinc/14/81/85/1077148185.db2.gz HCLVJISRMAUALD-UHFFFAOYSA-N -2 1 303.274 2.490 20 5 DEBDML O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc([O-])cn1 ZINC001466408867 1059465847 /nfs/dbraw/zinc/46/58/47/1059465847.db2.gz KSMBMNLOQYZXNZ-UHFFFAOYSA-N -2 1 309.665 2.307 20 5 DEBDML Cc1cnc(SCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[n-]c1=O ZINC001600625427 1077236514 /nfs/dbraw/zinc/23/65/14/1077236514.db2.gz REWQSAYQJCEIBP-UHFFFAOYSA-N -2 1 321.314 2.389 20 5 DEBDML Cn1nc([N-]c2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1C1CC1 ZINC001610612770 1078051271 /nfs/dbraw/zinc/05/12/71/1078051271.db2.gz SKONUIKRGLGHNN-UHFFFAOYSA-N -2 1 303.278 2.043 20 5 DEBDML O=C([O-])[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC001602209259 1077525546 /nfs/dbraw/zinc/52/55/46/1077525546.db2.gz HDCYIRFKVKDJQV-CQSZACIVSA-N -2 1 302.286 2.216 20 5 DEBDML CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)C1=CC=C[CH]1 ZINC001226311275 803087519 /nfs/dbraw/zinc/08/75/19/803087519.db2.gz UZWSQYFXIOPSQJ-VIFPVBQESA-N -2 1 319.293 2.340 20 5 DEBDML C[C@H](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)C(=O)[O-] ZINC001592872139 979728110 /nfs/dbraw/zinc/72/81/10/979728110.db2.gz DTLGOTGUDPASHM-SECBINFHSA-N -2 1 317.301 2.438 20 5 DEBDML CC(C)(C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000593254877 358041924 /nfs/dbraw/zinc/04/19/24/358041924.db2.gz UPQYPJGAAJLCTF-UHFFFAOYSA-N -2 1 316.335 2.081 20 5 DEBDML Cc1oc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000833027246 604265502 /nfs/dbraw/zinc/26/55/02/604265502.db2.gz QKGJNEHDQANQFM-UHFFFAOYSA-N -2 1 321.241 2.257 20 5 DEBDML CSc1nc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc(=O)[n-]1 ZINC001174502845 794003373 /nfs/dbraw/zinc/00/33/73/794003373.db2.gz KEZUGIWMNQFOMC-UHFFFAOYSA-N -2 1 322.302 2.254 20 5 DEBDML C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000833812365 605597449 /nfs/dbraw/zinc/59/74/49/605597449.db2.gz IYHVNRSNZGCHBT-QWRGUYRKSA-N -2 1 323.349 2.169 20 5 DEBDML O=C(Nc1nc(Cl)ccc1[O-])c1cc([O-])cc([N+](=O)[O-])c1 ZINC000790047614 643808459 /nfs/dbraw/zinc/80/84/59/643808459.db2.gz KTTRIICNPJNZGU-UHFFFAOYSA-N -2 1 309.665 2.307 20 5 DEBDML O=C([O-])[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC001602170852 971161707 /nfs/dbraw/zinc/16/17/07/971161707.db2.gz HDCYIRFKVKDJQV-AWEZNQCLSA-N -2 1 302.286 2.216 20 5 DEBDML O=C([O-])CCC1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000595882097 358571620 /nfs/dbraw/zinc/57/16/20/358571620.db2.gz GCOURXJZNQHRMP-UHFFFAOYSA-N -2 1 308.334 2.377 20 5 DEBDML C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000833812363 605596692 /nfs/dbraw/zinc/59/66/92/605596692.db2.gz IYHVNRSNZGCHBT-GHMZBOCLSA-N -2 1 323.349 2.169 20 5 DEBDML Cc1oc(C(=O)[O-])cc1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001600833203 1077283274 /nfs/dbraw/zinc/28/32/74/1077283274.db2.gz DTDJNMUTZQTAHM-UHFFFAOYSA-N -2 1 321.241 2.257 20 5 DEBDML O=C([O-])c1ccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000833315835 604265826 /nfs/dbraw/zinc/26/58/26/604265826.db2.gz HKCYPOQUOKJAMQ-UHFFFAOYSA-N -2 1 317.253 2.356 20 5 DEBDML CC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1[O-] ZINC000560552866 405845627 /nfs/dbraw/zinc/84/56/27/405845627.db2.gz WQBJPNIFGXLTQM-UHFFFAOYSA-N -2 1 316.269 2.461 20 5 DEBDML CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C)C1=CC=C[CH]1 ZINC001226311270 803087531 /nfs/dbraw/zinc/08/75/31/803087531.db2.gz UZWSQYFXIOPSQJ-SECBINFHSA-N -2 1 319.293 2.340 20 5 DEBDML Cc1cc(C(=O)[O-])c([N+](=O)[O-])c([N-]c2cc(C3CC3)n(C)n2)n1 ZINC001607586718 1071484626 /nfs/dbraw/zinc/48/46/26/1071484626.db2.gz BGMXSQQYEFMLET-UHFFFAOYSA-N -2 1 317.305 2.351 20 5 DEBDML CC(=O)c1cc(F)c([O-])c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC001645064720 1078873634 /nfs/dbraw/zinc/87/36/34/1078873634.db2.gz LZBDLKCXFZTZQF-UHFFFAOYSA-N -2 1 307.237 2.223 20 5 DEBDML CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001597025395 986432207 /nfs/dbraw/zinc/43/22/07/986432207.db2.gz KZDNAVRCZJJQPS-UHFFFAOYSA-N -2 1 319.273 2.272 20 5 DEBDML Cc1nn(CCC(=O)[O-])c(C)c1[N-]c1ncccc1[N+](=O)[O-] ZINC001600787934 1077270182 /nfs/dbraw/zinc/27/01/82/1077270182.db2.gz BUOROUZQYWPUDP-UHFFFAOYSA-N -2 1 305.294 2.021 20 5 DEBDML O=C([O-])c1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000740098586 600245480 /nfs/dbraw/zinc/24/54/80/600245480.db2.gz BJXPRFIQEXGDTQ-UHFFFAOYSA-N -2 1 300.230 2.338 20 5 DEBDML Cn1ncc([N-]c2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1C(F)F ZINC001608159375 1077600719 /nfs/dbraw/zinc/60/07/19/1077600719.db2.gz PYEPJHDTKKEDLJ-UHFFFAOYSA-N -2 1 313.220 2.103 20 5 DEBDML CC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1[O-] ZINC000556894095 291850813 /nfs/dbraw/zinc/85/08/13/291850813.db2.gz MCHPFIGMBWWXJT-UHFFFAOYSA-N -2 1 316.269 2.461 20 5 DEBDML COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c([O-])c1 ZINC000317910987 404040112 /nfs/dbraw/zinc/04/01/12/404040112.db2.gz IQPVGTLWIJJKCM-UHFFFAOYSA-N -2 1 304.258 2.267 20 5 DEBDML O=C([O-])[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000833352131 604265875 /nfs/dbraw/zinc/26/58/75/604265875.db2.gz ZOFNBXYQEOBPHO-ZDUSSCGKSA-N -2 1 317.253 2.283 20 5 DEBDML CN(Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)C(=O)[O-] ZINC000737485449 600306737 /nfs/dbraw/zinc/30/67/37/600306737.db2.gz OKOZWBWZZNOSIU-UHFFFAOYSA-N -2 1 318.289 2.285 20 5 DEBDML Cc1cc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)oc1C(=O)[O-] ZINC000832884380 604265589 /nfs/dbraw/zinc/26/55/89/604265589.db2.gz AXRVNWULNQRTBM-UHFFFAOYSA-N -2 1 321.241 2.257 20 5 DEBDML CSc1nc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc(=O)[n-]1 ZINC001176675414 794471916 /nfs/dbraw/zinc/47/19/16/794471916.db2.gz WBNPFGMWADQGCQ-UHFFFAOYSA-N -2 1 322.302 2.254 20 5 DEBDML Cc1cscc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000161659749 402395316 /nfs/dbraw/zinc/39/53/16/402395316.db2.gz MDUCXOSNQMNZTC-UHFFFAOYSA-N -2 1 314.344 2.471 20 5 DEBDML O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccsc2)ccc1[O-] ZINC000089750351 401960838 /nfs/dbraw/zinc/96/08/38/401960838.db2.gz IRKKNAAIWOTUKK-UHFFFAOYSA-N -2 1 300.317 2.163 20 5 DEBDML O=C([O-])c1cc(C(=O)Nc2c([O-])cccc2F)cc([N+](=O)[O-])c1 ZINC000738674041 600579011 /nfs/dbraw/zinc/57/90/11/600579011.db2.gz XFOBHIHDEGRTOY-UHFFFAOYSA-N -2 1 320.232 2.390 20 5 DEBDML O=C([O-])CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC001610775636 1078074941 /nfs/dbraw/zinc/07/49/41/1078074941.db2.gz IRCATHDPWDDPGI-UHFFFAOYSA-N -2 1 319.273 2.029 20 5 DEBDML Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccsc1 ZINC000158916214 197311122 /nfs/dbraw/zinc/31/11/22/197311122.db2.gz OGIIAWIQGLPNTJ-UHFFFAOYSA-N -2 1 314.344 2.471 20 5 DEBDML O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nnc(C2CC2)o1 ZINC001566864373 1075365357 /nfs/dbraw/zinc/36/53/57/1075365357.db2.gz UKXYJROUMZORNK-UHFFFAOYSA-N -2 1 324.680 2.467 20 5 DEBDML O=C([O-])c1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000833326433 600697944 /nfs/dbraw/zinc/69/79/44/600697944.db2.gz OTZOWOPYQISXLL-UHFFFAOYSA-N -2 1 300.230 2.338 20 5 DEBDML C[C@@](NCc1cc([O-])ccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001589129606 956188962 /nfs/dbraw/zinc/18/89/62/956188962.db2.gz VTEPHHHQOGSYSZ-INIZCTEOSA-N -2 1 316.313 2.390 20 5 DEBDML COc1cc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])on1 ZINC000128527229 401781538 /nfs/dbraw/zinc/78/15/38/401781538.db2.gz XUPCDVODUYFJNL-UHFFFAOYSA-N -2 1 313.653 2.203 20 5 DEBDML O=C([O-])c1cccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000833329397 604265715 /nfs/dbraw/zinc/26/57/15/604265715.db2.gz LPUNRNWPURHEHT-UHFFFAOYSA-N -2 1 317.253 2.356 20 5 DEBDML O=C([O-])[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000833352130 604265917 /nfs/dbraw/zinc/26/59/17/604265917.db2.gz ZOFNBXYQEOBPHO-CYBMUJFWSA-N -2 1 317.253 2.283 20 5 DEBDML CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001597464028 987896135 /nfs/dbraw/zinc/89/61/35/987896135.db2.gz LIHFNTCEGMSSSC-UHFFFAOYSA-N -2 1 303.274 2.436 20 5 DEBDML