smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)oc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1O ZINC000217611757 571601874 /nfs/dbraw/zinc/60/18/74/571601874.db2.gz OBLBPEZLHUSAHF-FCHUYYIVSA-N 2 2 546.624 2.173 40 70 KEIBLP O=c1cc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)oc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1O ZINC000217611757 571601872 /nfs/dbraw/zinc/60/18/72/571601872.db2.gz OBLBPEZLHUSAHF-FCHUYYIVSA-N 2 2 546.624 2.173 40 70 KEIBLP