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[C@H](O)[C@@H](O)[C@H](O)[C@H](S)CO[P@@](=O)([O-])O ZINC000013518200 372832713 /nfs/dbraw/zinc/83/27/13/372832713.db2.gz QRGVNIRPUOHVDD-SLPGGIOYSA-N -1 2 276.203 -2.324 40 30 CAEBLM O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](S)CO[P@](=O)([O-])O ZINC000013518200 372832717 /nfs/dbraw/zinc/83/27/17/372832717.db2.gz QRGVNIRPUOHVDD-SLPGGIOYSA-N -1 2 276.203 -2.324 40 30 CAEBLM O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O ZINC000004545928 372791478 /nfs/dbraw/zinc/79/14/78/372791478.db2.gz VFRROHXSMXFLSN-KAZBKCHUSA-N -1 2 260.135 -3.262 40 30 in-vitro CAEBLM O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O ZINC000004545928 372791485 /nfs/dbraw/zinc/79/14/85/372791485.db2.gz VFRROHXSMXFLSN-KAZBKCHUSA-N -1 2 260.135 -3.262 40 30 in-vitro CAEBLM O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O ZINC000004545927 372792677 /nfs/dbraw/zinc/79/26/77/372792677.db2.gz VFRROHXSMXFLSN-MOJAZDJTSA-N -1 2 260.135 -3.262 40 30 in-vitro CAEBLM O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O ZINC000004545927 372792681 /nfs/dbraw/zinc/79/26/81/372792681.db2.gz VFRROHXSMXFLSN-MOJAZDJTSA-N -1 2 260.135 -3.262 40 30 in-vitro CAEBLM O=C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO[P@@](=O)([O-])O ZINC000004545929 372791739 /nfs/dbraw/zinc/79/17/39/372791739.db2.gz VFRROHXSMXFLSN-JGWLITMVSA-N -1 2 260.135 -3.262 40 30 in-vitro CAEBLM O=C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO[P@](=O)([O-])O ZINC000004545929 372791749 /nfs/dbraw/zinc/79/17/49/372791749.db2.gz VFRROHXSMXFLSN-JGWLITMVSA-N -1 2 260.135 -3.262 40 30 in-vitro CAEBLM O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O ZINC000100033330 373664100 /nfs/dbraw/zinc/66/41/00/373664100.db2.gz VFRROHXSMXFLSN-KCDKBNATSA-N -1 2 260.135 -3.262 40 30 in-vivo CAEBLM O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O ZINC000100033330 373664106 /nfs/dbraw/zinc/66/41/06/373664106.db2.gz VFRROHXSMXFLSN-KCDKBNATSA-N -1 2 260.135 -3.262 40 30 in-vivo CAEBLM