smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCCC(C(=O)[O-])C(=O)O ZINC000006921168 564084083 /nfs/dbraw/zinc/08/40/83/564084083.db2.gz MVDKKZZVTWHVMC-UHFFFAOYSA-N -1 2 328.493 5.643 40 30 EKEBLM CCCCCCCC/C=C/CCCCCCCCO[P@](=O)([O-])O ZINC000043470094 563925771 /nfs/dbraw/zinc/92/57/71/563925771.db2.gz MEESPVWIOBCLJW-MDZDMXLPSA-N -1 2 348.464 6.133 40 30 EKEBLM CCCCCCCC/C=C/CCCCCCCCO[P@@](=O)([O-])O ZINC000043470094 563925770 /nfs/dbraw/zinc/92/57/70/563925770.db2.gz MEESPVWIOBCLJW-MDZDMXLPSA-N -1 2 348.464 6.133 40 30 EKEBLM CCCCCCCC/C=C\CCCCCCCCO[P@](=O)([O-])O ZINC000088265337 563974501 /nfs/dbraw/zinc/97/45/01/563974501.db2.gz MEESPVWIOBCLJW-KTKRTIGZSA-N -1 2 348.464 6.133 40 30 EKEBLM CCCCCCCC/C=C\CCCCCCCCO[P@@](=O)([O-])O ZINC000088265337 563974500 /nfs/dbraw/zinc/97/45/00/563974500.db2.gz MEESPVWIOBCLJW-KTKRTIGZSA-N -1 2 348.464 6.133 40 30 EKEBLM CCCCCCCCCCCCCC/C=C\[C@@H](CC(=O)O)C(=O)[O-] ZINC000100305519 219096977 /nfs/dbraw/zinc/09/69/77/219096977.db2.gz AAHZZGHPCKJNNZ-ZPWFJYARSA-N -1 2 340.504 5.809 40 30 EKEBLM CCCCCCCCCCCCCC/C=C\[C@H](CC(=O)O)C(=O)[O-] ZINC000100305526 219096711 /nfs/dbraw/zinc/09/67/11/219096711.db2.gz AAHZZGHPCKJNNZ-WBYGGXTKSA-N -1 2 340.504 5.809 40 30 EKEBLM Oc1ccc2ccccc2c1/C=[NH+]/CC12CC3C[C@H](C1)CC[C@@H](C3)C2 ZINC000100906952 219110840 /nfs/dbraw/zinc/11/08/40/219110840.db2.gz DOYBWORBPPFDRB-CUNQOXMESA-N -1 2 333.475 5.571 40 30 EKEBLM