smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC1=CC[C@]([NH2+]C)(c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)C=C1 ZINC000100312995 222241900 /nfs/dbraw/zinc/24/19/00/222241900.db2.gz GTUSQBXBAVTEPW-VWLOTQADSA-N 2 3 369.488 5.373 10 0 FKAEHP