smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2n[n+]([O-])n(CCC[NH+]3CCN(c4ccccn4)CC3)c2C(=O)c2ccccc21 ZINC000004744341 132287084 /nfs/dbraw/zinc/28/70/84/132287084.db2.gz CNLPWXRRBOOKRW-UHFFFAOYSA-N 1 2 418.457 0.899 40 10 HCCBLO NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCN(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000036646451 560882756 /nfs/dbraw/zinc/88/27/56/560882756.db2.gz ABXBLCGWMIJVGM-UHFFFAOYSA-N 1 2 418.475 0.823 40 10 HCCBLO