smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1cccc([O-])c1Cl 95710471 171137573 /nfs/dbraw/zinc/13/75/73/171137573.db2.gz FOQRPRQDHGZYQU-UHFFFAOYSA-N -1 3 170.639 3.169 20 0 AGADHM CCCCCc1ccc([O-])c(F)c1 34465110 343119765 /nfs/dbraw/zinc/11/97/65/343119765.db2.gz KSUDMDCPWIYYNA-UHFFFAOYSA-N -1 3 182.238 3.264 20 0 AGADHM