smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1c[n-]c(=O)c([N+](=O)[O-])c1[O-] 39074742 375297759 /nfs/dbraw/zinc/29/77/59/375297759.db2.gz RFSYOTRWMVEYQC-UHFFFAOYSA-N -2 3 184.151 0.551 40 5 ACBBHL