smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1sc(Nc2ccccc2Cl)nc1[O-] ZINC000017195791 527263083 /nfs/dbraw/zinc/26/30/83/527263083.db2.gz UDTUHMYVLPIEBB-ZDUSSCGKSA-N -1 2 435.805 3.205 40 5 IGBBLM CCCc1nc(SC(=Cc2cc(Br)cc([N+](=O)[O-])c2O)C(=O)[O-])n[nH]1 ZINC000408631330 557422802 /nfs/dbraw/zinc/42/28/02/557422802.db2.gz HQKWGLMKTSZMLW-YHYXMXQVSA-N -1 2 429.252 3.351 40 5 IGBBLM O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1sc(Nc2ccccc2Cl)nc1[O-] ZINC000005891719 562945338 /nfs/dbraw/zinc/94/53/38/562945338.db2.gz UDTUHMYVLPIEBB-CYBMUJFWSA-N -1 2 435.805 3.205 40 5 IGBBLM