smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)C(=CNc2ncnc3nc[nH]c32)C(=O)N1 ZINC000584637616 373660366 /nfs/dbraw/zinc/66/03/66/373660366.db2.gz PQENTKMQOHLDTF-UHFFFAOYSA-N 0 2 273.212 -1.034 10 10 CACELN O=C1NC(=O)C(=CNc2ncnc3[nH]cnc32)C(=O)N1 ZINC000584637616 373660375 /nfs/dbraw/zinc/66/03/75/373660375.db2.gz PQENTKMQOHLDTF-UHFFFAOYSA-N 0 2 273.212 -1.034 10 10 CACELN