smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)NN=C(CC1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000794457465 717190313 /nfs/dbraw/zinc/19/03/13/717190313.db2.gz RLEPOCBWYBPBGP-UHFFFAOYSA-O 1 0 394.539 4.586 20 50 GJGDRO