smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(O)c2c3c4c5c(c(OC)c(=O)c(O)c6cc(OC)c1c2c65)CC(C)=C4C(C(C)=O)=C(OC)C3=O ZINC000017654723 561757605 /nfs/dbraw/zinc/75/76/05/561757605.db2.gz KPGRZWCQXQUGHK-UHFFFAOYSA-N 0 2 528.513 4.397 10 30 KIEELN COc1ccc(OS(=O)(=O)c2ccc3c(c2)/C(=N\O)c2cc(S(=O)(=O)Oc4cccc(OC)c4)ccc2-3)cc1 ZINC000108528980 571426199 /nfs/dbraw/zinc/42/61/99/571426199.db2.gz ZWAFVFPYOITVKP-BYYHNAKLSA-N 0 2 567.597 4.446 10 30 KIEELN