smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)C[C@H](CC(=O)[O-])OC(=O)CCC/C=C\CCCCCCCC(=O)[O-] ZINC000096094905 717140970 /nfs/dbraw/zinc/14/09/70/717140970.db2.gz HXMYXBDOFWDFBU-CNRGFGOASA-O -1 0 400.536 3.621 1 5 in-vitro HHBFRM C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)CCC/C=C\CCCCCCCC(=O)[O-] ZINC000096094904 717141103 /nfs/dbraw/zinc/14/11/03/717141103.db2.gz HXMYXBDOFWDFBU-YPLUBFQTSA-O -1 0 400.536 3.621 1 5 in-vitro HHBFRM C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)CCCCCCCCCCCCC(=O)[O-] ZINC000096094910 717141061 /nfs/dbraw/zinc/14/10/61/717141061.db2.gz AHBCTRVDGQMKHC-GOSISDBHSA-O -1 0 402.552 3.845 1 5 in-vitro HHBFRM C[N+](C)(C)C[C@H](CC(=O)[O-])OC(=O)CCCCCCCCCCCCC(=O)[O-] ZINC000096094911 717140990 /nfs/dbraw/zinc/14/09/90/717140990.db2.gz AHBCTRVDGQMKHC-SFHVURJKSA-O -1 0 402.552 3.845 1 5 in-vitro HHBFRM