smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1nc(C)nc(NC([O-])=NS(=O)(=O)N2CCOCC2)n1 ZINC000002495732 201533192 /nfs/dbraw/zinc/53/31/92/201533192.db2.gz WHPWKFMEWBDLCM-UHFFFAOYSA-N -1 2 332.342 -0.908 50 30 EBEALM COc1nc(C)nc(NC(=O)[N-]S(=O)(=O)N2CCOCC2)n1 ZINC000002495732 201533197 /nfs/dbraw/zinc/53/31/97/201533197.db2.gz WHPWKFMEWBDLCM-UHFFFAOYSA-N -1 2 332.342 -0.908 50 30 EBEALM