smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[NH2+]c1ccc(Nc2ccccc2)cc1 ZINC000001608815 168879612 /nfs/dbraw/zinc/87/96/12/168879612.db2.gz PIPXINMICYUFAD-UHFFFAOYSA-N 1 2 240.350 4.642 40 10 BJCBLO