smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Oc1cccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000218571603 568481871 /nfs/dbraw/zinc/48/18/71/568481871.db2.gz OWPRHAMUGQECNT-UHFFFAOYSA-N -1 1 424.522 4.205 40 70 HIIBMM COc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000218408152 568479837 /nfs/dbraw/zinc/47/98/37/568479837.db2.gz MQLCCHVURMBKIB-UHFFFAOYSA-N -1 1 424.522 4.077 40 70 HIIBMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCCCC3)ccc2C)c(C)c1 ZINC000217418810 569356578 /nfs/dbraw/zinc/35/65/78/569356578.db2.gz CKUGQILHAKTJEK-UHFFFAOYSA-N -1 1 400.544 4.475 40 70 HIIBMM