smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c(O)cc2c(=O)oc3c(O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc4c(=O)oc1c2c43 ZINC000040864091 563150708 /nfs/dbraw/zinc/15/07/08/563150708.db2.gz IAYGIELPGJHKME-UKZWKHHHSA-N 0 2 462.363 0.117 1 5 JCBFLN COc1c(O)cc2c(=O)oc3c(O)c(O[C@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc4c(=O)oc1c2c43 ZINC000095913629 291436801 /nfs/dbraw/zinc/43/68/01/291436801.db2.gz IAYGIELPGJHKME-IOPSKVIRSA-N 0 2 462.363 0.117 1 5 biogenic,in-vitro JCBFLN COc1cc2c(=O)oc3c(O[C@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(O)cc4c(=O)oc(c1O)c2c43 ZINC000095913630 560056511 /nfs/dbraw/zinc/05/65/11/560056511.db2.gz VNUVSIWYGWCDKI-IOPSKVIRSA-N 0 2 462.363 0.117 1 5 biogenic,in-vitro JCBFLN