smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)[C@@H](O)Cc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc(CC[C@H](C)CO)c1O ZINC000084709278 291799479 /nfs/dbraw/zinc/79/94/79/291799479.db2.gz JOFIZXLDARFSIK-KSSFIOAISA-N 0 1 500.544 3.635 10 30 biogenic KHEEMN C=C(C)[C@@H](O)Cc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc(CC[C@@H](C)CO)c1O ZINC000084709280 291799473 /nfs/dbraw/zinc/79/94/73/291799473.db2.gz JOFIZXLDARFSIK-KDOFPFPSSA-N 0 1 500.544 3.635 10 30 biogenic KHEEMN C=C(C)[C@H](O)Cc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc(CC[C@H](C)CO)c1O ZINC000084709282 553677933 /nfs/dbraw/zinc/67/79/33/553677933.db2.gz JOFIZXLDARFSIK-KBXCAEBGSA-N 0 1 500.544 3.635 10 30 biogenic KHEEMN C=C(C)[C@H](O)Cc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc(CC[C@@H](C)CO)c1O ZINC000084709284 291799476 /nfs/dbraw/zinc/79/94/76/291799476.db2.gz JOFIZXLDARFSIK-RDTXWAMCSA-N 0 1 500.544 3.635 10 30 biogenic KHEEMN CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c(O)c3C)C(=O)C(=CC4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000085479855 553682204 /nfs/dbraw/zinc/68/22/04/553682204.db2.gz BTVYFIMKUHNOBZ-WURVRSKISA-N 0 1 695.762 3.630 10 30 KHEEMN