smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1OCC(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000000142831 956860168 /nfs/dbraw/zinc/86/01/68/956860168.db2.gz QQIVJMDYBWFEKB-NWDGAFQWSA-N -1 0 350.371 1.112 50 50 FDGARM Cc1nc(N2CCOCC2)sc1C(=O)NN=Cc1ccc(C(=O)[O-])cc1 ZINC000606442234 975016265 /nfs/dbraw/zinc/01/62/65/975016265.db2.gz OLPDCZXXFODLEW-UHFFFAOYSA-N -1 0 374.422 1.750 50 50 FDGARM