smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(C)C(=O)C[NH2+]C1CC[NH2+]CC1 217397339 573241544 /nfs/dbraw/zinc/24/15/44/573241544.db2.gz FZKIVGXZXLZGOI-UHFFFAOYSA-N 2 1 199.298 -0.194 10 70 ABIEMP