smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCN(CCCNC(=O)c2cnn(-c3ccc(F)cc3F)c2C2CC[NH2+]CC2)CC1 ZINC000020941017 195255671 /nfs/dbraw/zinc/25/56/71/195255671.db2.gz AAGGBRCZBAUZLQ-UHFFFAOYSA-N 1 3 460.573 2.375 10 0 JEAEHO