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(CC1(O)C(=O)NC(=O)NC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000095577728 185380654 /nfs/dbraw/zinc/38/06/54/185380654.db2.gz LGIWFZRBXLCBCI-UHFFFAOYSA-N 0 2 307.218 -0.735 1 5 DBBFLN