smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000000172854 180100825 /nfs/dbraw/zinc/10/08/25/180100825.db2.gz NQIDXSKSTZTFTA-UHFFFAOYSA-N 1 2 233.274 3.344 50 5 BGBALO Cc1cc(Cc2ccc([N+](=O)[O-])cc2)c(C)c[nH+]1 ZINC000000471087 178059399 /nfs/dbraw/zinc/05/93/99/178059399.db2.gz LVPCQBQMMCCPAO-UHFFFAOYSA-N 1 2 242.278 3.197 50 5 BGBALO c1ccc2c(c1)[nH+]c1c3ccccc3ncn21 ZINC000000580079 384770441 /nfs/dbraw/zinc/77/04/41/384770441.db2.gz IGVLQHFYFPHALQ-UHFFFAOYSA-N 1 2 219.247 3.036 50 5 BGBALO