smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)cc(Oc2ncnc(Nc3cccc(C)n3)c2[N+](=O)[O-])c1 ZINC000040582462 208256766 /nfs/dbraw/zinc/25/67/66/208256766.db2.gz IZNPFKBUSATBMO-UHFFFAOYSA-N 0 2 351.366 4.241 10 5 FIBELN Cc1cc(Oc2ncnc(NNC(C)(C)C)c2[N+](=O)[O-])cc(C)c1Cl ZINC000040659900 208261225 /nfs/dbraw/zinc/26/12/25/208261225.db2.gz LXPXWFYLBTVQDL-UHFFFAOYSA-N 0 2 365.821 4.162 10 5 FIBELN Cc1cccnc1Nc1ncnc(Nc2cccc3cccnc32)c1[N+](=O)[O-] ZINC000040625696 208258044 /nfs/dbraw/zinc/25/80/44/208258044.db2.gz UIFSMCNYZQTBFC-UHFFFAOYSA-N 0 2 373.376 4.124 10 5 FIBELN Cc1cccnc1Nc1ncnc(Oc2cccc3cccnc32)c1[N+](=O)[O-] ZINC000040618422 211751453 /nfs/dbraw/zinc/75/14/53/211751453.db2.gz WWGWGBXAOXAYTR-UHFFFAOYSA-N 0 2 374.360 4.172 10 5 FIBELN