smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2nc[n-]c2C(=O)c2nc[n-]c21 143968117 171159907 /nfs/dbraw/zinc/15/99/07/171159907.db2.gz PNBDXKUYTMQOMX-UHFFFAOYSA-N -2 3 188.146 -0.092 10 10 ABCEHL O=Cc1c([O-])nc[n-]c1=O 100190915 171225027 /nfs/dbraw/zinc/22/50/27/171225027.db2.gz IIENOMUDGIADAW-UHFFFAOYSA-N -2 3 140.098 -0.887 10 10 ABCEHL CC(=O)C(=O)CP(=O)([O-])[O-] 238044035 573721685 /nfs/dbraw/zinc/72/16/85/573721685.db2.gz SPRYEUOZHVIJDK-UHFFFAOYSA-N -2 3 166.069 -0.678 10 10 ABCEHL