smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)ccc1OCC(N)=O ZINC000218042563 569882552 /nfs/dbraw/zinc/88/25/52/569882552.db2.gz ZPAAQACJMMLBMO-CYBMUJFWSA-N -1 0 467.430 2.323 50 70 biogenic JEIARM COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)ccc1OCC(N)=O ZINC000218042491 569882521 /nfs/dbraw/zinc/88/25/21/569882521.db2.gz ZPAAQACJMMLBMO-ZDUSSCGKSA-N -1 0 467.430 2.323 50 70 biogenic JEIARM COc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc1OCC(N)=O ZINC000218080985 569882662 /nfs/dbraw/zinc/88/26/62/569882662.db2.gz VOIUICAOIWQVBF-CYBMUJFWSA-N -1 0 467.430 2.323 50 70 biogenic JEIARM COc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc1OCC(N)=O ZINC000218080907 569882658 /nfs/dbraw/zinc/88/26/58/569882658.db2.gz VOIUICAOIWQVBF-ZDUSSCGKSA-N -1 0 467.430 2.323 50 70 biogenic JEIARM