smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@@H]1c4cc(c(OC)cc4CC[N@@H+]1C)Oc1cc(ccc1O)C[C@@H]3[N+](C)(C)CC2 ZINC000014953564 561746709 /nfs/dbraw/zinc/74/67/09/561746709.db2.gz JFJZZMVDLULRGK-WDYNHAJCSA-O 2 2 609.743 6.701 10 5 in-vitro KKBELP COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@@H]1c4cc(c(OC)cc4CC[N@H+]1C)Oc1cc(ccc1O)C[C@@H]3[N+](C)(C)CC2 ZINC000014953564 561746710 /nfs/dbraw/zinc/74/67/10/561746710.db2.gz JFJZZMVDLULRGK-WDYNHAJCSA-O 2 2 609.743 6.701 10 5 in-vitro KKBELP