smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=C\c1ccc([O-])cc1)[N+](=O)[O-] 5085466 166050764 /nfs/dbraw/zinc/05/07/64/166050764.db2.gz PWVYGCHRAHNBFI-VOTSOKGWSA-N -1 3 179.175 2.030 40 5 AEBBHM O=[N+]([O-])c1cccc2c([O-])cccc12 1675748 169413980 /nfs/dbraw/zinc/41/39/80/169413980.db2.gz RIXNIZKEKXPLIT-UHFFFAOYSA-N -1 3 189.170 2.454 40 5 AEBBHM O=[N+]([O-])c1ccc2cccc([O-])c2c1 39424644 171078653 /nfs/dbraw/zinc/07/86/53/171078653.db2.gz HWRPHGWDQCUEPK-UHFFFAOYSA-N -1 3 189.170 2.454 40 5 AEBBHM