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(=N\[O-])c1ccc2c(c1)OCCCO2 ZINC000210574523 487917787 /nfs/dbraw/zinc/91/77/87/487917787.db2.gz KAJUEPSASIYCGN-XYOKQWHBSA-N -1 3 207.229 2.046 30 30 BEECHM