smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCC(=O)[C@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000064219935 717132414 /nfs/dbraw/zinc/13/24/14/717132414.db2.gz PSBCTNJHBJBZJM-JQWIXIFHSA-O 0 0 278.800 2.498 40 50 CEGBRN CCCCCC(=O)[C@H](C[C@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000064219931 717132359 /nfs/dbraw/zinc/13/23/59/717132359.db2.gz PSBCTNJHBJBZJM-CMPLNLGQSA-O 0 0 278.800 2.498 40 50 CEGBRN CCCCC(=O)[C@H](C[C@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000071404755 717133190 /nfs/dbraw/zinc/13/31/90/717133190.db2.gz CSJXUIHJPRVXPN-GXSJLCMTSA-O 0 0 264.773 2.108 40 50 CEGBRN CCCCCC(=O)[C@@H](C[C@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000064219930 717132514 /nfs/dbraw/zinc/13/25/14/717132514.db2.gz PSBCTNJHBJBZJM-ZYHUDNBSSA-O 0 0 278.800 2.498 40 50 CEGBRN CCCCC(=O)[C@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000071404759 717132960 /nfs/dbraw/zinc/13/29/60/717132960.db2.gz CSJXUIHJPRVXPN-ONGXEEELSA-O 0 0 264.773 2.108 40 50 CEGBRN CCCCC(=O)[C@@H](C[C@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000071404753 717132925 /nfs/dbraw/zinc/13/29/25/717132925.db2.gz CSJXUIHJPRVXPN-MWLCHTKSSA-O 0 0 264.773 2.108 40 50 CEGBRN CCCCCC(=O)[C@@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000064219933 717132662 /nfs/dbraw/zinc/13/26/62/717132662.db2.gz PSBCTNJHBJBZJM-PWSUYJOCSA-O 0 0 278.800 2.498 40 50 CEGBRN CCCCC(=O)[C@@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000071404756 717133216 /nfs/dbraw/zinc/13/32/16/717133216.db2.gz CSJXUIHJPRVXPN-KOLCDFICSA-O 0 0 264.773 2.108 40 50 CEGBRN