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@@H]1c2ccc(O)c(O)c2CCN1C 85588719 574416679 /nfs/dbraw/zinc/41/66/79/574416679.db2.gz AASFZUCQPYZSBW-SSDOTTSWSA-N 0 1 193.246 1.647 1 10 endogenous,in-man ADCFMN CC1=C([O-])C(=O)c2ccccc2[N+]1=O 1622316 132178850 /nfs/dbraw/zinc/17/88/50/132178850.db2.gz DEUMHPKEGIBZSI-UHFFFAOYSA-N 0 1 189.170 1.055 1 10 ADCFMN