smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c(F)c(O)nc2n1CCCN2 159612590 344149331 /nfs/dbraw/zinc/14/93/31/344149331.db2.gz QRGOJZMTDAERBV-UHFFFAOYSA-N 0 2 185.158 -0.096 10 70 ABIELN COc1nc(C)[nH]c(=O)n1 218421562 344412273 /nfs/dbraw/zinc/41/22/73/344412273.db2.gz DSDRYYNIRNLUIT-UHFFFAOYSA-N 0 2 141.130 -0.518 10 70 ABIELN