smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+](NCc1ccccc1)c1ccccc1 ZINC000104387986 384823781 /nfs/dbraw/zinc/82/37/81/384823781.db2.gz KKEXMFAUZLNVBB-UHFFFAOYSA-N 1 3 212.252 3.481 40 10 BGCBHO