smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H](O)[C@@H]1OC(=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O ZINC000015249507 560229623 /nfs/dbraw/zinc/22/96/23/560229623.db2.gz GGQABIPBZKETPQ-SGIHWFKDSA-N -1 0 344.228 -1.939 1 10 biogenic,in-vitro EACFRM O=C([O-])[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H]1OC(=O)[C@@H](O)[C@@H]1O ZINC000015249549 560097039 /nfs/dbraw/zinc/09/70/39/560097039.db2.gz SVYWZVZMBHFNGC-AATLWQCWSA-N -1 0 344.228 -1.939 1 10 endogenous,in-man EACFRM CO[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O ZINC000033832664 565108859 /nfs/dbraw/zinc/10/88/59/565108859.db2.gz FNCIIGZVDLRIDE-RRZLQCMWSA-N -1 0 346.288 -1.586 1 10 biogenic,in-vitro EACFRM O=C([O-])[C@@H](O)[C@@H]1OC(=O)[C@H](O)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 ZINC000038962278 290946818 /nfs/dbraw/zinc/94/68/18/290946818.db2.gz AKRXKEBXBSHTKE-QCLAVDOMSA-N -1 0 344.228 -1.939 1 10 biogenic,in-vitro EACFRM