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-])c1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000584597916 337374427 /nfs/dbraw/zinc/37/44/27/337374427.db2.gz YYBYYEJGJHZAKD-XVNBXDOJSA-N -2 1 312.277 2.685 10 30 DFEEML C=C[C@@](C)(CCC=C(C)C)O[P@@](=O)([O-])O[P@@](=O)([O-])O ZINC000008219812 560207373 /nfs/dbraw/zinc/20/73/73/560207373.db2.gz UOJPTUWXHXNLDB-JTQLQIEISA-N -2 1 314.211 2.904 10 30 in-vitro DFEEML C=C[C@@](C)(CCC=C(C)C)O[P@@](=O)([O-])O[P@](=O)([O-])O ZINC000008219812 560207375 /nfs/dbraw/zinc/20/73/75/560207375.db2.gz UOJPTUWXHXNLDB-JTQLQIEISA-N -2 1 314.211 2.904 10 30 in-vitro DFEEML C=C[C@](C)(CCC=C(C)C)O[P@@](=O)([O-])O[P@@](=O)([O-])O ZINC000008219808 560207382 /nfs/dbraw/zinc/20/73/82/560207382.db2.gz UOJPTUWXHXNLDB-SNVBAGLBSA-N -2 1 314.211 2.904 10 30 in-vitro DFEEML C=C[C@](C)(CCC=C(C)C)O[P@@](=O)([O-])O[P@](=O)([O-])O ZINC000008219808 560207383 /nfs/dbraw/zinc/20/73/83/560207383.db2.gz UOJPTUWXHXNLDB-SNVBAGLBSA-N -2 1 314.211 2.904 10 30 in-vitro DFEEML