smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([N-]c1cccnc1SCc1ccccn1)c1sc2ccccc2c1Cl ZINC000218424043 568480150 /nfs/dbraw/zinc/48/01/50/568480150.db2.gz JRTDIYSOMCIKPE-UHFFFAOYSA-N -1 3 411.939 5.889 50 70 HKIAHM Cc1nc(-c2ccccc2[N-]S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)cs1 ZINC000218667153 568943430 /nfs/dbraw/zinc/94/34/30/568943430.db2.gz QIOZNWYWTCPMHJ-UHFFFAOYSA-N -1 3 412.458 5.079 50 70 HKIAHM