smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C(=O)C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1OC ZINC000217566523 548682270 /nfs/dbraw/zinc/68/22/70/548682270.db2.gz PLQNCHDDFUVREM-GOEBONIOSA-N 1 2 368.433 2.168 40 70 FEIBLO COc1ccc(C(=O)C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1OC ZINC000217566523 548682276 /nfs/dbraw/zinc/68/22/76/548682276.db2.gz PLQNCHDDFUVREM-GOEBONIOSA-N 1 2 368.433 2.168 40 70 FEIBLO