smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(C[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000034723349 557426001 /nfs/dbraw/zinc/42/60/01/557426001.db2.gz YGROLECMJXJYJV-UPVQGACJSA-N 2 1 416.531 5.715 10 0 HKAEMP Cc1cccc(C[N@H+]2C[C@@H](C[NH+]3CCCCC3)[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000034723350 557425968 /nfs/dbraw/zinc/42/59/68/557425968.db2.gz YGROLECMJXJYJV-VWNXMTODSA-N 2 1 416.531 5.715 10 0 HKAEMP Cc1cccc(C[N@H+]2C[C@@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000105047226 560860628 /nfs/dbraw/zinc/86/06/28/560860628.db2.gz YGROLECMJXJYJV-ISKFKSNPSA-N 2 1 416.531 5.715 10 0 HKAEMP Cc1cccc(C[N@H+]2C[C@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000169679898 569127025 /nfs/dbraw/zinc/12/70/25/569127025.db2.gz YGROLECMJXJYJV-LADGPHEKSA-N 2 1 416.531 5.715 10 0 HKAEMP