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-])c1ccccc1NC[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O ZINC000002047809 204025158 /nfs/dbraw/zinc/02/51/58/204025158.db2.gz AULMJMUNCOBRHC-AXFHLTTASA-N -2 2 351.248 -1.011 1 0 in-vitro,metabolite FAAFLL O=C([O-])c1ccccc1NC[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O ZINC000002047809 204025156 /nfs/dbraw/zinc/02/51/56/204025156.db2.gz AULMJMUNCOBRHC-AXFHLTTASA-N -2 2 351.248 -1.011 1 0 in-vitro,metabolite FAAFLL O=C([O-])c1cc(=O)[nH]c(=O)n1[C@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000003870125 560190725 /nfs/dbraw/zinc/19/07/25/560190725.db2.gz KYOBSHFOBAOFBF-IHBLQFBFSA-N -2 2 368.191 -3.037 1 0 in-vitro FAAFLL O=C([O-])c1cc(=O)[nH]c(=O)n1[C@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000003870125 560190724 /nfs/dbraw/zinc/19/07/24/560190724.db2.gz KYOBSHFOBAOFBF-IHBLQFBFSA-N -2 2 368.191 -3.037 1 0 in-vitro FAAFLL O=C([O-])c1cc(=O)[nH]c(=O)n1[C@@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000003870126 204111499 /nfs/dbraw/zinc/11/14/99/204111499.db2.gz KYOBSHFOBAOFBF-MLQRGLMKSA-N -2 2 368.191 -3.037 1 0 in-vitro FAAFLL O=C([O-])c1cc(=O)[nH]c(=O)n1[C@@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000003870126 204111494 /nfs/dbraw/zinc/11/14/94/204111494.db2.gz KYOBSHFOBAOFBF-MLQRGLMKSA-N -2 2 368.191 -3.037 1 0 in-vitro FAAFLL O=C([O-])c1cc(=O)[nH]c(=O)n1[C@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O ZINC000003870127 204112411 /nfs/dbraw/zinc/11/24/11/204112411.db2.gz KYOBSHFOBAOFBF-UCVXFZOQSA-N -2 2 368.191 -3.037 1 0 in-vitro FAAFLL O=C([O-])c1cc(=O)[nH]c(=O)n1[C@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O ZINC000003870127 204112409 /nfs/dbraw/zinc/11/24/09/204112409.db2.gz KYOBSHFOBAOFBF-UCVXFZOQSA-N -2 2 368.191 -3.037 1 0 in-vitro FAAFLL O=C([O-])c1cc(=O)[nH]c(=O)n1[C@@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O ZINC000003870128 204112858 /nfs/dbraw/zinc/11/28/58/204112858.db2.gz KYOBSHFOBAOFBF-VXUIKNBNSA-N -2 2 368.191 -3.037 1 0 in-vitro FAAFLL O=C([O-])c1cc(=O)[nH]c(=O)n1[C@@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O ZINC000003870128 204112854 /nfs/dbraw/zinc/11/28/54/204112854.db2.gz KYOBSHFOBAOFBF-VXUIKNBNSA-N -2 2 368.191 -3.037 1 0 in-vitro FAAFLL O=C([O-])c1cc(=O)[nH]c(=O)n1[C@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O ZINC000012502877 210180727 /nfs/dbraw/zinc/18/07/27/210180727.db2.gz KYOBSHFOBAOFBF-GVYWOMJSSA-N -2 2 368.191 -3.037 1 0 FAAFLL O=C([O-])c1cc(=O)[nH]c(=O)n1[C@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O ZINC000012502877 210180722 /nfs/dbraw/zinc/18/07/22/210180722.db2.gz KYOBSHFOBAOFBF-GVYWOMJSSA-N -2 2 368.191 -3.037 1 0 FAAFLL O=C([O-])[C@H](CCc1nn[nH]n1)NC(=O)N[C@@H](CCc1nn[nH]n1)C(=O)[O-] ZINC000013559946 211039380 /nfs/dbraw/zinc/03/93/80/211039380.db2.gz CJGKWYDINDMVEE-WDSKDSINSA-N -2 2 368.314 -2.516 1 0 FAAFLL