smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C1N=NC([O-])=C1NNc1ccc(C)cc1C ZINC000101474811 178359551 /nfs/dbraw/zinc/35/95/51/178359551.db2.gz GEZIHOMMAKRDTM-CCEZHUSRSA-N -1 3 230.271 3.456 1 10 BGCFHM