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([O-])c1nnc(Cl)cc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164756444 720985276 /nfs/dbraw/zinc/98/52/76/720985276.db2.gz IIZPBOBZAZSJOP-LBPRGKRZSA-N 0 2 427.839 2.633 20 0 IFADLN O=C([O-])c1nnc(Cl)cc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164756443 720985299 /nfs/dbraw/zinc/98/52/99/720985299.db2.gz IIZPBOBZAZSJOP-GFCCVEGCSA-N 0 2 427.839 2.633 20 0 IFADLN O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164874277 721221998 /nfs/dbraw/zinc/22/19/98/721221998.db2.gz UBFYSMXGVVJWRN-UHFFFAOYSA-N 0 2 439.850 2.644 20 0 IFADLN COc1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000002645953 562929168 /nfs/dbraw/zinc/92/91/68/562929168.db2.gz KFPVXJLWBOHVGL-UHFFFAOYSA-N 0 2 425.513 2.753 20 0 IFADLN