smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(NC(=S)NN=c2nc(N3CCOCC3)nc(N3CCOCC3)[n-]2)cc1 ZINC000009310304 555085873 /nfs/dbraw/zinc/08/58/73/555085873.db2.gz LGJLVKAZIWCYKM-UHFFFAOYSA-N -1 3 461.508 0.767 50 5 JCBAHM O=C1[N-]C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccc5c(c4)OCO5)C[C@@H]32)C(=O)N1 ZINC000016996516 556199468 /nfs/dbraw/zinc/19/94/68/556199468.db2.gz NQVBKBOZYNJYSB-LJQANCHMSA-N -1 3 479.449 0.923 50 5 JCBAHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000020508240 527405781 /nfs/dbraw/zinc/40/57/81/527405781.db2.gz ZEEUYOTYAKDTNY-UHFFFAOYSA-N -1 3 499.527 0.788 50 5 JCBAHM O=C1[N-]C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccc5c(c4)OCO5)C[C@H]32)C(=O)N1 ZINC000036329036 569763482 /nfs/dbraw/zinc/76/34/82/569763482.db2.gz NQVBKBOZYNJYSB-IBGZPJMESA-N -1 3 479.449 0.923 50 5 JCBAHM COCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCOCC2)nn1C ZINC000106763427 569855651 /nfs/dbraw/zinc/85/56/51/569855651.db2.gz UCOKYPDJRNYYTK-UHFFFAOYSA-N -1 3 483.503 0.826 50 5 JCBAHM