smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2n[nH]nc2C(=O)c2n[nH]nc21 4342740 697617985 /nfs/dbraw/zinc/61/79/85/697617985.db2.gz RFJQFDNFQDAVHT-UHFFFAOYSA-N 0 2 190.122 -1.302 50 10 AACALN