smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2c([O-])c(C(=O)Nc3ccc4c(O)c(C(=O)[O-])cc([N+](=O)[O-])c4n3)ccc2[nH+]1 ZINC000040394521 563100429 /nfs/dbraw/zinc/10/04/29/563100429.db2.gz YOUQSFVDRFZVNU-UHFFFAOYSA-N -1 2 434.364 3.361 1 5 IGBFLM Cc1ccc2c(ccc(C(=O)Nc3ccc4c(O)c(C(=O)[O-])cc([N+](=O)[O-])c4n3)c2O)n1 ZINC000040394521 563100430 /nfs/dbraw/zinc/10/04/30/563100430.db2.gz YOUQSFVDRFZVNU-UHFFFAOYSA-N -1 2 434.364 3.361 1 5 IGBFLM