smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+][C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)[N-]C4=O ZINC000003782337 554471063 /nfs/dbraw/zinc/47/10/63/554471063.db2.gz POTTVLREWUNNRO-UGZRAAABSA-N 0 3 480.524 3.994 10 5 in-vitro JHBEHN