smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCC#CC(SCC(=O)[O-])SCC(=O)[O-] ZINC000043938717 205104855 /nfs/dbraw/zinc/10/48/55/205104855.db2.gz SQJBFFQUHVUJER-UHFFFAOYSA-N -2 0 360.541 4.482 10 30 FIEERL CCC(=N[N-]c1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)cc1)[N+](=O)[O-] ZINC000006828942 207170165 /nfs/dbraw/zinc/17/01/65/207170165.db2.gz SVPYOAVLBXBRML-RELWKKBWSA-N -2 0 364.361 4.012 10 30 FIEERL O=C([O-])CCCCCCCCCC#C/C=C/[C@H](O)CCCCC(=O)[O-] ZINC000026578778 210161469 /nfs/dbraw/zinc/16/14/69/210161469.db2.gz LXZDAVAXLZQBAE-MDNBWPLSSA-N -2 0 352.471 4.147 10 30 FIEERL