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(O[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c21 ZINC000034356282 565109415 /nfs/dbraw/zinc/10/94/15/565109415.db2.gz RNVUDWOQYYWXBJ-KRLKJCFRSA-N -3 2 418.354 0.395 10 0 biogenic,in-vitro HCAELL O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 ZINC000038175153 574048831 /nfs/dbraw/zinc/04/88/31/574048831.db2.gz POQICXMTUPVZMX-WNJKXWAASA-N -3 2 418.354 0.395 10 0 endogenous,in-man HCAELL O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 ZINC000255995024 571856574 /nfs/dbraw/zinc/85/65/74/571856574.db2.gz POQICXMTUPVZMX-JJUQKUTHSA-N -3 2 418.354 0.395 10 0 endogenous,in-man HCAELL