smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(O)c(C(c2ccncc2)c2c(O)n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O ZINC000016037441 558769717 /nfs/dbraw/zinc/76/97/17/558769717.db2.gz KPIFAENZWSUGJV-UHFFFAOYSA-N 0 2 401.379 -1.532 10 0 HAAELN Cn1c([O-])c(C(c2ccncc2)c2c(O)n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O ZINC000016037441 558769714 /nfs/dbraw/zinc/76/97/14/558769714.db2.gz KPIFAENZWSUGJV-UHFFFAOYSA-N 0 2 401.379 -1.532 10 0 HAAELN