smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc2c3c1cccc3[C@H]1C[C@@H](CNC(=O)[C@@H]3CCCC[NH2+]3)C[N@@H+](C)[C@@H]1C2 ZINC000103297420 222496376 /nfs/dbraw/zinc/49/63/76/222496376.db2.gz PQQQAIXHXMTHMT-DZJZLKLXSA-N 2 1 380.536 2.397 1 10 GECFMP