smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)n1 ZINC001475699147 1069529123 /nfs/dbraw/zinc/52/91/23/1069529123.db2.gz ACWVUGFSYSKRHA-CQSZACIVSA-N 0 2 457.431 1.939 20 5 JDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)n1 ZINC001475699146 1069529238 /nfs/dbraw/zinc/52/92/38/1069529238.db2.gz ACWVUGFSYSKRHA-AWEZNQCLSA-N 0 2 457.431 1.939 20 5 JDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 ZINC001475294985 1069432603 /nfs/dbraw/zinc/43/26/03/1069432603.db2.gz RBEWVCGVSWRNPD-CJNGLKHVSA-N 0 2 481.449 1.840 20 5 JDBDLN