smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN1C(=O)[N-]S(=O)(=O)c2ccccc21 ZINC000015444045 534845794 /nfs/dbraw/zinc/84/57/94/534845794.db2.gz KUAFRRHWEODTHN-UHFFFAOYSA-N -1 0 238.268 1.091 30 30 BDECRM C=CCOC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000001646606 188159381 /nfs/dbraw/zinc/15/93/81/188159381.db2.gz MQKQMLUPZZNVCK-SSDOTTSWSA-N -1 0 201.222 1.008 30 30 BDECRM