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)n1cnc(=NC(=O)C(=O)N2CCN(C(=O)c3ccccc3O)CC2)[nH]1 ZINC000651509448 1073332890 /nfs/dbraw/zinc/33/28/90/1073332890.db2.gz HPQZDPWTIQIFIO-UHFFFAOYSA-N -2 2 386.412 -0.090 20 0 GBADLL O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000739819867 600674139 /nfs/dbraw/zinc/67/41/39/600674139.db2.gz JBFAATBUNSSYCH-UHFFFAOYSA-N -2 2 382.354 -0.417 20 0 GBADLL O=C([O-])CNC(=O)c1ccc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)cc1 ZINC000739820108 600530677 /nfs/dbraw/zinc/53/06/77/600530677.db2.gz STHOPCKAETXAPW-UHFFFAOYSA-N -2 2 382.354 -0.417 20 0 GBADLL NC(=O)c1cc(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)on1 ZINC000826392923 607742940 /nfs/dbraw/zinc/74/29/40/607742940.db2.gz TZOBNTGDLZKAGX-UHFFFAOYSA-N -2 2 385.312 -0.290 20 0 GBADLL O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1CC(=O)Nc2ccc(-c3nn[nH]n3)cc21 ZINC001571309054 946439646 /nfs/dbraw/zinc/43/96/46/946439646.db2.gz WLCJBDXNKQGRMW-UHFFFAOYSA-N -2 2 392.339 -0.763 20 0 GBADLL