smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(S(=O)(=O)F)cnc1N1C[C@@H]2CCC[C@H](N(C)Cc3ccccn3)[C@@H]2C1 ZINC001165030208 721831814 /nfs/dbraw/zinc/83/18/14/721831814.db2.gz YZMNBRKWRDOINA-DBVUQKKJSA-N 0 1 418.538 3.180 20 70 HGIDMN Cc1cc(S(=O)(=O)F)cnc1N1C[C@@H]2CCC[C@@H](N(C)Cc3ccccn3)[C@@H]2C1 ZINC001165030210 721831939 /nfs/dbraw/zinc/83/19/39/721831939.db2.gz YZMNBRKWRDOINA-PWIZWCRZSA-N 0 1 418.538 3.180 20 70 HGIDMN Cc1cc(S(=O)(=O)F)cnc1N1C[C@@H]2CCC[C@@H](N(C)Cc3ccccn3)[C@H]2C1 ZINC001165030209 721831919 /nfs/dbraw/zinc/83/19/19/721831919.db2.gz YZMNBRKWRDOINA-FFZOFVMBSA-N 0 1 418.538 3.180 20 70 HGIDMN Cc1cc(S(=O)(=O)F)cnc1N1C[C@@H]2CCC[C@H](N(C)Cc3ccccn3)[C@H]2C1 ZINC001165030211 721831787 /nfs/dbraw/zinc/83/17/87/721831787.db2.gz YZMNBRKWRDOINA-VDGAXYAQSA-N 0 1 418.538 3.180 20 70 HGIDMN