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@H]1[C@@H](O)[C@@]2(O)c3c(cc(OC)cc3OC)O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000005922875 554496135 /nfs/dbraw/zinc/49/61/35/554496135.db2.gz VFTGDXPPYSWBSO-GWNOIRNCSA-N 0 0 492.524 3.135 30 0 biogenic,in-vitro JGACRN C[C@@H](NC(=O)[C@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O ZINC000038382411 569801320 /nfs/dbraw/zinc/80/13/20/569801320.db2.gz ULSSJYNJIZWPSB-JRVVOHRXSA-N 0 0 479.483 3.004 30 0 JGACRN