smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000217237954 241244966 /nfs/dbraw/zinc/24/49/66/241244966.db2.gz DTYJUMFRBQUIMG-RBUKOAKNSA-N 1 2 335.369 4.629 20 70 EJIDLO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000217237954 241244970 /nfs/dbraw/zinc/24/49/70/241244970.db2.gz DTYJUMFRBQUIMG-RBUKOAKNSA-N 1 2 335.369 4.629 20 70 EJIDLO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000217237957 241244219 /nfs/dbraw/zinc/24/42/19/241244219.db2.gz DTYJUMFRBQUIMG-RTBURBONSA-N 1 2 335.369 4.629 20 70 EJIDLO CC[C@H](c1ccc(F)cc1)[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000217237957 241244228 /nfs/dbraw/zinc/24/42/28/241244228.db2.gz DTYJUMFRBQUIMG-RTBURBONSA-N 1 2 335.369 4.629 20 70 EJIDLO