smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C[C@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1c([O-])c(C(=O)OC)c[nH]c1=O ZINC000217948696 569455094 /nfs/dbraw/zinc/45/50/94/569455094.db2.gz LWSXIKMFZVIJPR-GFCCVEGCSA-N -1 1 449.412 1.505 50 70 biogenic IDIAMM COC(=O)C[C@@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1c([O-])c(C(=O)OC)c[nH]c1=O ZINC000217948779 569455153 /nfs/dbraw/zinc/45/51/53/569455153.db2.gz LWSXIKMFZVIJPR-LBPRGKRZSA-N -1 1 449.412 1.505 50 70 biogenic IDIAMM