smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@H](c2ccc(OC)c(OCC(N)=O)c2)CC(=O)O4)cc1O ZINC000217670588 571602382 /nfs/dbraw/zinc/60/23/82/571602382.db2.gz UJKKYMYCRPIBBT-HNNXBMFYSA-N 0 2 533.489 3.194 50 70 KGIALN COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2ccc(OC)c(OCC(N)=O)c2)CC(=O)O4)cc1O ZINC000217670663 571602392 /nfs/dbraw/zinc/60/23/92/571602392.db2.gz UJKKYMYCRPIBBT-OAHLLOKOSA-N 0 2 533.489 3.194 50 70 KGIALN