smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCC([C@@H](Cl)C(=O)[O-])CC1 259461504 573467556 /nfs/dbraw/zinc/46/75/56/573467556.db2.gz WWNQOBMVXSUMST-SSDOTTSWSA-N -1 3 191.658 1.020 10 50 ADGEHM CN1CCC([C@H](Cl)C(=O)[O-])CC1 259461506 573463905 /nfs/dbraw/zinc/46/39/05/573463905.db2.gz WWNQOBMVXSUMST-ZETCQYMHSA-N -1 3 191.658 1.020 10 50 ADGEHM