smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cnn([C@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000004705961 210255367 /nfs/dbraw/zinc/25/53/67/210255367.db2.gz LRVZOSYMNMNQFR-HJEFZAFNSA-N -2 2 325.170 -3.340 40 0 EAABLL O=c1cnn([C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000004705962 374240766 /nfs/dbraw/zinc/24/07/66/374240766.db2.gz LRVZOSYMNMNQFR-UISOVIGQSA-N -2 2 325.170 -3.340 40 0 EAABLL O=c1cnn([C@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000004705963 210254682 /nfs/dbraw/zinc/25/46/82/210254682.db2.gz LRVZOSYMNMNQFR-CDGOZMSNSA-N -2 2 325.170 -3.340 40 0 EAABLL O=c1cnn([C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000004705964 374241288 /nfs/dbraw/zinc/24/12/88/374241288.db2.gz LRVZOSYMNMNQFR-HTPUFBNKSA-N -2 2 325.170 -3.340 40 0 EAABLL O=C([O-])c1nn(-c2ccccc2-c2n[nH]c(=O)[n-]c2=O)c(=O)[nH]c1=O ZINC000008830787 211009229 /nfs/dbraw/zinc/00/92/29/211009229.db2.gz IXKGNNQTJQVGKK-UHFFFAOYSA-N -2 2 344.243 -1.118 40 0 in-vitro EAABLL