smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc(/C=C/C(=O)NO)cc1 ZINC000013528196 581094551 /nfs/dbraw/zinc/09/45/51/581094551.db2.gz ILDVDKBLPNWYHI-ZHACJKMWSA-N 2 2 350.422 2.653 1 30 FFEFLP