smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#[N+][C@H]1C[C@@H]([N+]2(C)CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000261185081 717179431 /nfs/dbraw/zinc/17/94/31/717179431.db2.gz XDGMCSUKWCYXGK-WDSOQIARSA-O 2 0 447.485 3.976 1 50 IHGFRP