smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000216950166 568469739 /nfs/dbraw/zinc/46/97/39/568469739.db2.gz PKNBCBLUBKUARH-UHFFFAOYSA-N -1 3 422.576 1.916 40 70 HDIBHM