smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)C(=O)c1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000328608427 569419403 /nfs/dbraw/zinc/41/94/03/569419403.db2.gz YZDOTNAYDRHKPB-LBPRGKRZSA-N 0 1 407.452 1.588 10 5 HDBEMN O=C(c1cn[nH]c1[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1)N1CCOCC1 ZINC000328602297 569416462 /nfs/dbraw/zinc/41/64/62/569416462.db2.gz AYPRUPOZHGNBGH-OAHLLOKOSA-N 0 1 413.434 1.810 10 5 HDBEMN O=C(c1cn[nH]c1[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1)N1CCOCC1 ZINC000328602296 569416475 /nfs/dbraw/zinc/41/64/75/569416475.db2.gz AYPRUPOZHGNBGH-HNNXBMFYSA-N 0 1 413.434 1.810 10 5 HDBEMN CN(C)C(=O)c1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000328608426 569419478 /nfs/dbraw/zinc/41/94/78/569419478.db2.gz YZDOTNAYDRHKPB-GFCCVEGCSA-N 0 1 407.452 1.588 10 5 HDBEMN