smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000266212238 248177392 /nfs/dbraw/zinc/17/73/92/248177392.db2.gz QPSTWCSBWBELAF-QMMMGPOBSA-N -1 1 344.780 2.021 20 5 EEBDMM COCCC1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCCCC1 ZINC000186437130 160070955 /nfs/dbraw/zinc/07/09/55/160070955.db2.gz CMJUOMJWNYQONY-UHFFFAOYSA-N -1 1 337.376 2.412 20 5 EEBDMM CCc1nnsc1C(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000345621372 161317032 /nfs/dbraw/zinc/31/70/32/161317032.db2.gz HQAIBKMULQOCKN-UHFFFAOYSA-N -1 1 336.329 2.048 20 5 EEBDMM O=C(NCCc1ccc(F)c(F)c1F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000346002354 161349284 /nfs/dbraw/zinc/34/92/84/161349284.db2.gz JOSDXADQLKSXOZ-UHFFFAOYSA-N -1 1 341.245 2.085 20 5 EEBDMM CSCc1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000189303709 274037808 /nfs/dbraw/zinc/03/78/08/274037808.db2.gz RQCAPIJTAZGQEP-UHFFFAOYSA-N -1 1 333.369 2.488 20 5 EEBDMM CO[C@@H](C)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289309798 275108803 /nfs/dbraw/zinc/10/88/03/275108803.db2.gz JSOGJSDSBQGTRO-ZETCQYMHSA-N -1 1 340.760 2.091 20 5 EEBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc2c(n1)CCC2 ZINC000296691275 294042258 /nfs/dbraw/zinc/04/22/58/294042258.db2.gz JUBUELPCDIJMLQ-UHFFFAOYSA-N -1 1 347.396 2.463 20 5 EEBDMM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000352346264 300394103 /nfs/dbraw/zinc/39/41/03/300394103.db2.gz RBLYRGZPLMBDHM-IONNQARKSA-N -1 1 336.822 2.278 20 5 EEBDMM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1(C)C ZINC000440388696 315127724 /nfs/dbraw/zinc/12/77/24/315127724.db2.gz IYKANCQSLUUKJS-MNOVXSKESA-N -1 1 348.808 2.340 20 5 EEBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1ccccc1 ZINC000445024404 315338242 /nfs/dbraw/zinc/33/82/42/315338242.db2.gz VWCIFDPZOAAVHN-UHFFFAOYSA-N -1 1 331.328 2.283 20 5 EEBDMM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000451981883 315473147 /nfs/dbraw/zinc/47/31/47/315473147.db2.gz FIGAIANIHDBFHM-PRHODGIISA-N -1 1 348.808 2.340 20 5 EEBDMM CCc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)on1 ZINC000524948511 317034873 /nfs/dbraw/zinc/03/48/73/317034873.db2.gz LCUVLIHNDWIRPG-UHFFFAOYSA-N -1 1 339.373 2.186 20 5 EEBDMM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000531142515 317773354 /nfs/dbraw/zinc/77/33/54/317773354.db2.gz RTDXBBPDHOJWKD-GHMZBOCLSA-N -1 1 345.446 2.332 20 5 EEBDMM O=C([O-])c1cnn(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000580319755 324039772 /nfs/dbraw/zinc/03/97/72/324039772.db2.gz XKAJAEUFCFPUHL-UHFFFAOYSA-N -1 1 330.344 2.327 20 5 EEBDMM O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000005033037 462644203 /nfs/dbraw/zinc/64/42/03/462644203.db2.gz URCLCEZHBLLIDA-QWHCGFSZSA-N -1 1 341.367 2.081 20 5 EEBDMM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1C(N)=O ZINC000066587136 462907710 /nfs/dbraw/zinc/90/77/10/462907710.db2.gz FCHKGEYGYBIXNS-UHFFFAOYSA-N -1 1 349.368 2.111 20 5 EEBDMM CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000272108321 464480199 /nfs/dbraw/zinc/48/01/99/464480199.db2.gz YGWVDNNFGKIVIS-UHFFFAOYSA-N -1 1 336.797 2.076 20 5 EEBDMM CC[C@H](CNc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000295855654 464986489 /nfs/dbraw/zinc/98/64/89/464986489.db2.gz KGHZZSZKKLFTKN-GFCCVEGCSA-N -1 1 330.344 2.316 20 5 EEBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000356694763 465492496 /nfs/dbraw/zinc/49/24/96/465492496.db2.gz GMVAOKSPANTWHP-LURJTMIESA-N -1 1 330.259 2.211 20 5 EEBDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000353681466 466063643 /nfs/dbraw/zinc/06/36/43/466063643.db2.gz CMMUOLUFYFTNCE-UHFFFAOYSA-N -1 1 334.357 2.051 20 5 EEBDMM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000332119976 466397522 /nfs/dbraw/zinc/39/75/22/466397522.db2.gz BXMSWKTYODEOEX-JGVFFNPUSA-N -1 1 349.206 2.292 20 5 EEBDMM O=C(NCC1CC1)[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000338929177 466493947 /nfs/dbraw/zinc/49/39/47/466493947.db2.gz LKHUMNIXACLAJG-ZDUSSCGKSA-N -1 1 333.388 2.039 20 5 EEBDMM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1c(F)ccc([O-])c1F ZINC000354519625 466625890 /nfs/dbraw/zinc/62/58/90/466625890.db2.gz BXKVWOMILWYXBI-UHFFFAOYSA-N -1 1 334.238 2.707 20 5 EEBDMM O=C(NC[C@H]1SCCc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000489663848 468158814 /nfs/dbraw/zinc/15/88/14/468158814.db2.gz ISJVOEKACOTYLB-CQSZACIVSA-N -1 1 345.380 2.456 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC[C@@H]1CCc2ccccc21 ZINC000562552006 468990048 /nfs/dbraw/zinc/99/00/48/468990048.db2.gz SBRWJTWIDBMWFH-ZDUSSCGKSA-N -1 1 347.396 2.388 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCc2cc(F)ccc21 ZINC000610212316 469988622 /nfs/dbraw/zinc/98/86/22/469988622.db2.gz IQBMXJRWTDVDBX-GFCCVEGCSA-N -1 1 337.332 2.095 20 5 EEBDMM O=C(OCc1c(F)cccc1[N+](=O)[O-])c1sccc1-c1nn[n-]n1 ZINC000738235998 578005428 /nfs/dbraw/zinc/00/54/28/578005428.db2.gz DTISPAXIRKJTAV-UHFFFAOYSA-N -1 1 349.303 2.333 20 5 EEBDMM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC000753377407 577786219 /nfs/dbraw/zinc/78/62/19/577786219.db2.gz OHMZIKUQSMTISM-NEPJUHHUSA-N -1 1 348.808 2.340 20 5 EEBDMM O=C([O-])[C@@H]1CC12CCN(Cn1ncc3ccc([N+](=O)[O-])cc31)CC2 ZINC000739536069 578057182 /nfs/dbraw/zinc/05/71/82/578057182.db2.gz BXKNJELTWUOQPU-ZDUSSCGKSA-N -1 1 330.344 2.089 20 5 EEBDMM O=C([O-])c1cc(NC(=O)[C@H]2CCCc3[nH]ncc32)cc([N+](=O)[O-])c1 ZINC000833301665 602038350 /nfs/dbraw/zinc/03/83/50/602038350.db2.gz UYYJLIBVNQNYAO-NSHDSACASA-N -1 1 330.300 2.075 20 5 EEBDMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc([N+](=O)[O-])c1 ZINC000820397160 606514752 /nfs/dbraw/zinc/51/47/52/606514752.db2.gz MKXVWWZKNHMZLD-QMMMGPOBSA-N -1 1 344.356 2.327 20 5 EEBDMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc([N+](=O)[O-])c1 ZINC000820397160 606514753 /nfs/dbraw/zinc/51/47/53/606514753.db2.gz MKXVWWZKNHMZLD-QMMMGPOBSA-N -1 1 344.356 2.327 20 5 EEBDMM Cc1cc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1N(C)C ZINC000822210409 606698126 /nfs/dbraw/zinc/69/81/26/606698126.db2.gz AKEAJDHKLZYNAM-UHFFFAOYSA-N -1 1 340.347 2.288 20 5 EEBDMM Cc1cc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1N(C)C ZINC000822210409 606698128 /nfs/dbraw/zinc/69/81/28/606698128.db2.gz AKEAJDHKLZYNAM-UHFFFAOYSA-N -1 1 340.347 2.288 20 5 EEBDMM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000125545495 692585501 /nfs/dbraw/zinc/58/55/01/692585501.db2.gz FHRKFXOORCYDSQ-UHFFFAOYSA-N -1 1 346.727 2.088 20 5 EEBDMM COc1cncc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c1 ZINC000811832823 1200340932 /nfs/dbraw/zinc/34/09/32/1200340932.db2.gz ZKRVMPIDPPHVOP-UHFFFAOYSA-N -1 1 343.748 2.453 20 5 EEBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CC=C(OC)CC1 ZINC001226324431 1301355332 /nfs/dbraw/zinc/35/53/32/1301355332.db2.gz IHSJNHQEZHKBJG-SNVBAGLBSA-N -1 1 338.316 2.334 20 5 EEBDMM Cc1oc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C(=O)[O-] ZINC001608047873 1351613456 /nfs/dbraw/zinc/61/34/56/1351613456.db2.gz DFEGUEKQSWVRLB-LLVKDONJSA-N -1 1 346.343 2.276 20 5 EEBDMM CC(C)[C@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS1 ZINC001609091361 1351839255 /nfs/dbraw/zinc/83/92/55/1351839255.db2.gz JUHJDRYTOXWLDX-GFCCVEGCSA-N -1 1 334.405 2.353 20 5 EEBDMM CC(C)[C@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCS1 ZINC001609091361 1351839258 /nfs/dbraw/zinc/83/92/58/1351839258.db2.gz JUHJDRYTOXWLDX-GFCCVEGCSA-N -1 1 334.405 2.353 20 5 EEBDMM CCO[C@@H]1C[C@@H](N(C)c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1(C)C ZINC001609238823 1351904720 /nfs/dbraw/zinc/90/47/20/1351904720.db2.gz SOXWQIHSPJCNCX-ZIAGYGMSSA-N -1 1 346.391 2.415 20 5 EEBDMM O=[N+]([O-])c1c(N[C@H]2CCOC3(CCC3)C2)cccc1-c1nnn[n-]1 ZINC001609600244 1352030986 /nfs/dbraw/zinc/03/09/86/1352030986.db2.gz YTZPBASWEGAINA-JTQLQIEISA-N -1 1 330.348 2.289 20 5 EEBDMM O=[N+]([O-])c1c(N[C@H]2CCOC3(CCC3)C2)cccc1-c1nn[n-]n1 ZINC001609600244 1352030989 /nfs/dbraw/zinc/03/09/89/1352030989.db2.gz YTZPBASWEGAINA-JTQLQIEISA-N -1 1 330.348 2.289 20 5 EEBDMM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001610749566 1352268698 /nfs/dbraw/zinc/26/86/98/1352268698.db2.gz FAAWDYOUDDFNAL-HNNXBMFYSA-N -1 1 342.307 2.125 20 5 EEBDMM CO[C@H]1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1(C)C ZINC001591359337 1349471365 /nfs/dbraw/zinc/47/13/65/1349471365.db2.gz VTOQAPQVNSYUCH-LBPRGKRZSA-N -1 1 332.364 2.026 20 5 EEBDMM CO[C@H]1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1(C)C ZINC001591359337 1349471369 /nfs/dbraw/zinc/47/13/69/1349471369.db2.gz VTOQAPQVNSYUCH-LBPRGKRZSA-N -1 1 332.364 2.026 20 5 EEBDMM O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1ccnc(-c2nnn[n-]2)c1 ZINC001593248099 1349749156 /nfs/dbraw/zinc/74/91/56/1349749156.db2.gz RQEMLEPHAUUMDY-UHFFFAOYSA-N -1 1 345.706 2.076 20 5 EEBDMM O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1ccnc(-c2nn[n-]n2)c1 ZINC001593248099 1349749159 /nfs/dbraw/zinc/74/91/59/1349749159.db2.gz RQEMLEPHAUUMDY-UHFFFAOYSA-N -1 1 345.706 2.076 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC[C@@H](OC2CCC2)C1 ZINC001593467407 1349803299 /nfs/dbraw/zinc/80/32/99/1349803299.db2.gz XRQTYPIJMKLITL-GFCCVEGCSA-N -1 1 344.375 2.313 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC[C@@H](OC2CCC2)C1 ZINC001593467407 1349803302 /nfs/dbraw/zinc/80/33/02/1349803302.db2.gz XRQTYPIJMKLITL-GFCCVEGCSA-N -1 1 344.375 2.313 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC2(CCCCO2)CC1 ZINC001593465926 1349803946 /nfs/dbraw/zinc/80/39/46/1349803946.db2.gz BSMNYKDLYGNWPI-UHFFFAOYSA-N -1 1 344.375 2.314 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC2(CCCCO2)CC1 ZINC001593465926 1349803949 /nfs/dbraw/zinc/80/39/49/1349803949.db2.gz BSMNYKDLYGNWPI-UHFFFAOYSA-N -1 1 344.375 2.314 20 5 EEBDMM CC(C)c1c[nH]c(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC001603391138 1350699649 /nfs/dbraw/zinc/69/96/49/1350699649.db2.gz HWADHLZJWALXAO-UHFFFAOYSA-N -1 1 332.349 2.168 20 5 EEBDMM CC(C)c1c[nH]c(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC001603391138 1350699652 /nfs/dbraw/zinc/69/96/52/1350699652.db2.gz HWADHLZJWALXAO-UHFFFAOYSA-N -1 1 332.349 2.168 20 5 EEBDMM COCC[C@H]1CCCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001605081229 1351074689 /nfs/dbraw/zinc/07/46/89/1351074689.db2.gz YISFGWRBVWRRJC-GFCCVEGCSA-N -1 1 346.391 2.418 20 5 EEBDMM COCC[C@H]1CCCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001605081229 1351074692 /nfs/dbraw/zinc/07/46/92/1351074692.db2.gz YISFGWRBVWRRJC-GFCCVEGCSA-N -1 1 346.391 2.418 20 5 EEBDMM O=[N+]([O-])c1cc(Nc2ccc3c(c2)OCCO3)ccc1-c1nn[n-]n1 ZINC001607078911 1351408253 /nfs/dbraw/zinc/40/82/53/1351408253.db2.gz BTRVFSXCKYMAKS-UHFFFAOYSA-N -1 1 340.299 2.290 20 5 EEBDMM Cc1oc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1C(=O)[O-] ZINC001608057307 1351615961 /nfs/dbraw/zinc/61/59/61/1351615961.db2.gz UZKRAPRSGFSVTM-UHFFFAOYSA-N -1 1 344.276 2.134 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC12CCOCC2 ZINC000832317497 1372427015 /nfs/dbraw/zinc/42/70/15/1372427015.db2.gz KAZLPYAYZAQFRQ-GFCCVEGCSA-N -1 1 346.792 2.096 20 5 EEBDMM CCOc1cccc(Cl)c1Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001578400227 1403747491 /nfs/dbraw/zinc/74/74/91/1403747491.db2.gz DZSJCSWTELLRRA-UHFFFAOYSA-N -1 1 349.738 2.072 20 5 EEBDMM Cc1nsc(NCCc2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC001592491077 1404701268 /nfs/dbraw/zinc/70/12/68/1404701268.db2.gz CYVBOMLJHLOKQX-UHFFFAOYSA-N -1 1 331.361 2.194 20 5 EEBDMM Cc1nc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc(-c2nnn[n-]2)n1 ZINC001606078229 1404763356 /nfs/dbraw/zinc/76/33/56/1404763356.db2.gz YGLYAGRJKWGGGF-MRVPVSSYSA-N -1 1 326.320 2.046 20 5 EEBDMM Cc1nc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc(-c2nn[n-]n2)n1 ZINC001606078229 1404763361 /nfs/dbraw/zinc/76/33/61/1404763361.db2.gz YGLYAGRJKWGGGF-MRVPVSSYSA-N -1 1 326.320 2.046 20 5 EEBDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC001606171113 1404773293 /nfs/dbraw/zinc/77/32/93/1404773293.db2.gz UJJBYLXGORDACM-UHFFFAOYSA-N -1 1 333.235 2.035 20 5 EEBDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC001606171113 1404773296 /nfs/dbraw/zinc/77/32/96/1404773296.db2.gz UJJBYLXGORDACM-UHFFFAOYSA-N -1 1 333.235 2.035 20 5 EEBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC000032588735 796403137 /nfs/dbraw/zinc/40/31/37/796403137.db2.gz UOGJEHPMMXFXBI-UHFFFAOYSA-N -1 1 341.320 2.126 20 5 EEBDMM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000132476412 799790390 /nfs/dbraw/zinc/79/03/90/799790390.db2.gz WTPPREXBPQAZOI-HTQZYQBOSA-N -1 1 349.206 2.292 20 5 EEBDMM O=C([O-])C1CC2(C1)CC[C@@H](CNCc1ccc([N+](=O)[O-])cc1F)O2 ZINC001594904679 954663962 /nfs/dbraw/zinc/66/39/62/954663962.db2.gz GFCHDRGIHWKMQB-ULKWEWGCSA-N -1 1 338.335 2.236 20 5 EEBDMM CCOC1CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001596855377 985606527 /nfs/dbraw/zinc/60/65/27/985606527.db2.gz QBKVMQAHFKZPGC-UHFFFAOYSA-N -1 1 338.360 2.059 20 5 EEBDMM CC(C)(C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)N1CCCCC1 ZINC001589580504 987361635 /nfs/dbraw/zinc/36/16/35/987361635.db2.gz TUEBOGVZOKHROE-UHFFFAOYSA-N -1 1 335.360 2.496 20 5 EEBDMM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001589704605 987812601 /nfs/dbraw/zinc/81/26/01/987812601.db2.gz CIZDKCPYGDNBTK-NSHDSACASA-N -1 1 334.332 2.090 20 5 EEBDMM O=C(NCc1ccc(OC(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193375726 237386666 /nfs/dbraw/zinc/38/66/66/237386666.db2.gz DPGXQBVJOGIVIE-UHFFFAOYSA-N -1 1 339.254 2.227 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)CC2CCCCC2)c([N+](=O)[O-])n1 ZINC000447852528 242326728 /nfs/dbraw/zinc/32/67/28/242326728.db2.gz ASBWTLGTTQMOGE-NSHDSACASA-N -1 1 344.437 2.448 20 5 EEBDMM O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000028813986 284092021 /nfs/dbraw/zinc/09/20/21/284092021.db2.gz MDLAWCKOSGOBFX-GFCCVEGCSA-N -1 1 349.343 2.389 20 5 EEBDMM COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1C ZINC000103200636 204066513 /nfs/dbraw/zinc/06/65/13/204066513.db2.gz IPVLRDMYMJYIFB-UHFFFAOYSA-N -1 1 331.328 2.285 20 5 EEBDMM Cc1ncsc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000104745873 159290527 /nfs/dbraw/zinc/29/05/27/159290527.db2.gz OWPMKSWOFADORQ-UHFFFAOYSA-N -1 1 347.805 2.492 20 5 EEBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2ccccc2n1C ZINC000185690753 160045942 /nfs/dbraw/zinc/04/59/42/160045942.db2.gz BVXVGFJVUUEALK-VIFPVBQESA-N -1 1 341.327 2.073 20 5 EEBDMM O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(F)cc1[O-] ZINC000340329131 160921269 /nfs/dbraw/zinc/92/12/69/160921269.db2.gz UYJCOGLLRAMZLY-UHFFFAOYSA-N -1 1 348.286 2.392 20 5 EEBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn(CC(F)(F)F)c2)n1 ZINC000287376440 293050841 /nfs/dbraw/zinc/05/08/41/293050841.db2.gz QTWYESSJHQMJKD-UHFFFAOYSA-N -1 1 345.237 2.279 20 5 EEBDMM CCOC(=O)c1c[n-]c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000415650681 313161358 /nfs/dbraw/zinc/16/13/58/313161358.db2.gz SIWWJFJQUMXZAC-UHFFFAOYSA-N -1 1 346.343 2.411 20 5 EEBDMM CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000437200653 315030216 /nfs/dbraw/zinc/03/02/16/315030216.db2.gz PMWNYZJMICETQM-UONOGXRCSA-N -1 1 343.339 2.380 20 5 EEBDMM CS[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000544100313 318180106 /nfs/dbraw/zinc/18/01/06/318180106.db2.gz UAZMEVPEUCLMCD-JTQLQIEISA-N -1 1 333.435 2.046 20 5 EEBDMM C[C@@]1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000549464425 318435637 /nfs/dbraw/zinc/43/56/37/318435637.db2.gz AKIHTEHGTYBTIG-BBRMVZONSA-N -1 1 347.396 2.462 20 5 EEBDMM CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000276862304 463785205 /nfs/dbraw/zinc/78/52/05/463785205.db2.gz GDOQASHNWMEBQY-BDAKNGLRSA-N -1 1 333.348 2.423 20 5 EEBDMM Cc1cc([C@@H]2CCCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000283695295 463975971 /nfs/dbraw/zinc/97/59/71/463975971.db2.gz XMOWSHWZMHOEJF-LLVKDONJSA-N -1 1 330.344 2.352 20 5 EEBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000182157356 464585680 /nfs/dbraw/zinc/58/56/80/464585680.db2.gz ZBCSHYWRAIKNAE-UHFFFAOYSA-N -1 1 336.358 2.161 20 5 EEBDMM CC1(C)C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C(C)(C)O1 ZINC000183307425 464847351 /nfs/dbraw/zinc/84/73/51/464847351.db2.gz OPCREZPLIVRCBQ-NSHDSACASA-N -1 1 346.380 2.358 20 5 EEBDMM COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000337801208 465591839 /nfs/dbraw/zinc/59/18/39/465591839.db2.gz YZEBYUDBDRHHLG-UHFFFAOYSA-N -1 1 338.341 2.418 20 5 EEBDMM COCCOC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000490773914 468249350 /nfs/dbraw/zinc/24/93/50/468249350.db2.gz XVGZYMRIVJIGEO-UHFFFAOYSA-N -1 1 348.315 2.370 20 5 EEBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCCc2n[nH]nc21 ZINC000590445365 468258720 /nfs/dbraw/zinc/25/87/20/468258720.db2.gz NGNNXYXFLRSPAF-SSDOTTSWSA-N -1 1 337.723 2.131 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000598773164 468998415 /nfs/dbraw/zinc/99/84/15/468998415.db2.gz JWXMTDPXOYRGGA-BXUZGUMPSA-N -1 1 335.360 2.117 20 5 EEBDMM O=C(N[C@@H]1COc2c1cccc2Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000610714694 469047922 /nfs/dbraw/zinc/04/79/22/469047922.db2.gz BXXJSMYQCXWEKT-LLVKDONJSA-N -1 1 335.703 2.212 20 5 EEBDMM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC000753377425 577786185 /nfs/dbraw/zinc/78/61/85/577786185.db2.gz OHMZIKUQSMTISM-VXGBXAGGSA-N -1 1 348.808 2.340 20 5 EEBDMM Cc1nc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])sc1C ZINC000822457852 606714289 /nfs/dbraw/zinc/71/42/89/606714289.db2.gz ALSIYDVXIPYSCU-UHFFFAOYSA-N -1 1 335.374 2.394 20 5 EEBDMM Cc1nc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])sc1C ZINC000822457852 606714291 /nfs/dbraw/zinc/71/42/91/606714291.db2.gz ALSIYDVXIPYSCU-UHFFFAOYSA-N -1 1 335.374 2.394 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCOC2(CCCC2)C1 ZINC000823620482 607130874 /nfs/dbraw/zinc/13/08/74/607130874.db2.gz LLOFWPAUNVPNSE-SNVBAGLBSA-N -1 1 345.363 2.074 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCOC2(CCCC2)C1 ZINC000823620482 607130876 /nfs/dbraw/zinc/13/08/76/607130876.db2.gz LLOFWPAUNVPNSE-SNVBAGLBSA-N -1 1 345.363 2.074 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C2CCOCC2)cc1F ZINC000866965516 689712295 /nfs/dbraw/zinc/71/22/95/689712295.db2.gz VRWMQIXCCIHODS-JTQLQIEISA-N -1 1 346.380 2.136 20 5 EEBDMM O=C(CCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCCCC1 ZINC000805502455 1199169281 /nfs/dbraw/zinc/16/92/81/1199169281.db2.gz HNDHYJWLBBBFGS-UHFFFAOYSA-N -1 1 336.344 2.250 20 5 EEBDMM CSc1cccc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)c1[N+](=O)[O-] ZINC000801701403 1236050436 /nfs/dbraw/zinc/05/04/36/1236050436.db2.gz MRUQQMDYPIYFTM-UHFFFAOYSA-N -1 1 343.368 2.224 20 5 EEBDMM CCCCOC[C@@H](C)Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-] ZINC001226309799 1301347855 /nfs/dbraw/zinc/34/78/55/1301347855.db2.gz JENNTRIBGFUYOP-SNVBAGLBSA-N -1 1 342.348 2.456 20 5 EEBDMM COC(=O)[C@@H](C)Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234748486 1305018554 /nfs/dbraw/zinc/01/85/54/1305018554.db2.gz RQTWBDHWPPXLET-MRVPVSSYSA-N -1 1 330.292 2.298 20 5 EEBDMM Cc1ccc(CNC(=O)c2ccsc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605854439 1351237555 /nfs/dbraw/zinc/23/75/55/1351237555.db2.gz LSNUEDSPICUOTP-UHFFFAOYSA-N -1 1 344.356 2.075 20 5 EEBDMM Cc1ccc(CNC(=O)c2ccsc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605854439 1351237559 /nfs/dbraw/zinc/23/75/59/1351237559.db2.gz LSNUEDSPICUOTP-UHFFFAOYSA-N -1 1 344.356 2.075 20 5 EEBDMM C[C@@](O)(CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1cccs1 ZINC001609127815 1351853531 /nfs/dbraw/zinc/85/35/31/1351853531.db2.gz XLPWPQITAJOHJV-CQSZACIVSA-N -1 1 346.372 2.156 20 5 EEBDMM C[C@]1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCCC[C@@H]1O ZINC001609149522 1351862716 /nfs/dbraw/zinc/86/27/16/1351862716.db2.gz PDYXTOMZLLTNRJ-DZGCQCFKSA-N -1 1 332.364 2.128 20 5 EEBDMM C[C@]1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCCC[C@@H]1O ZINC001609149522 1351862720 /nfs/dbraw/zinc/86/27/20/1351862720.db2.gz PDYXTOMZLLTNRJ-DZGCQCFKSA-N -1 1 332.364 2.128 20 5 EEBDMM CN(c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)[C@H](CO)CC(C)(C)C ZINC001609281520 1351921259 /nfs/dbraw/zinc/92/12/59/1351921259.db2.gz KMWGLOZTZKWZDI-NSHDSACASA-N -1 1 334.380 2.008 20 5 EEBDMM CN(c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)[C@H](CO)CC(C)(C)C ZINC001609281520 1351921261 /nfs/dbraw/zinc/92/12/61/1351921261.db2.gz KMWGLOZTZKWZDI-NSHDSACASA-N -1 1 334.380 2.008 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001609599459 1352030239 /nfs/dbraw/zinc/03/02/39/1352030239.db2.gz FCENYSRWNCUVFL-GHMZBOCLSA-N -1 1 329.364 2.186 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001609599459 1352030245 /nfs/dbraw/zinc/03/02/45/1352030245.db2.gz FCENYSRWNCUVFL-GHMZBOCLSA-N -1 1 329.364 2.186 20 5 EEBDMM CC(=Cc1cccc([N+](=O)[O-])c1)CNc1n[nH]c(C)c1-c1nnn[n-]1 ZINC001588769965 1348933287 /nfs/dbraw/zinc/93/32/87/1348933287.db2.gz BPCRFURLCGUWSE-TWGQIWQCSA-N -1 1 340.347 2.322 20 5 EEBDMM CC(=Cc1cccc([N+](=O)[O-])c1)CNc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001588769965 1348933290 /nfs/dbraw/zinc/93/32/90/1348933290.db2.gz BPCRFURLCGUWSE-TWGQIWQCSA-N -1 1 340.347 2.322 20 5 EEBDMM CC(C)c1cc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])on1 ZINC001589767040 1349033559 /nfs/dbraw/zinc/03/35/59/1349033559.db2.gz KEBSBIKNQYSVFX-UHFFFAOYSA-N -1 1 329.320 2.498 20 5 EEBDMM CC(C)c1cc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])on1 ZINC001589767040 1349033563 /nfs/dbraw/zinc/03/35/63/1349033563.db2.gz KEBSBIKNQYSVFX-UHFFFAOYSA-N -1 1 329.320 2.498 20 5 EEBDMM Cc1cc(NC[C@]2(C)CCCC[C@H]2O)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592041651 1349587011 /nfs/dbraw/zinc/58/70/11/1349587011.db2.gz QIWHFQBUHLWXIX-CJNGLKHVSA-N -1 1 346.391 2.436 20 5 EEBDMM Cc1cc(NC[C@]2(C)CCCC[C@H]2O)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592041651 1349587013 /nfs/dbraw/zinc/58/70/13/1349587013.db2.gz QIWHFQBUHLWXIX-CJNGLKHVSA-N -1 1 346.391 2.436 20 5 EEBDMM Nc1cc(NC[C@@H]2CCC[C@@H]3C[C@@H]32)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759865 1349714124 /nfs/dbraw/zinc/71/41/24/1349714124.db2.gz IUIQCAZGBZFZQD-YWVKMMECSA-N -1 1 329.364 2.205 20 5 EEBDMM Nc1cc(NC[C@@H]2CCC[C@@H]3C[C@@H]32)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759865 1349714128 /nfs/dbraw/zinc/71/41/28/1349714128.db2.gz IUIQCAZGBZFZQD-YWVKMMECSA-N -1 1 329.364 2.205 20 5 EEBDMM O=[N+]([O-])c1ccc(N[C@@H](C2CC2)[C@H]2CCCOC2)cc1-c1nnn[n-]1 ZINC001593478778 1349812311 /nfs/dbraw/zinc/81/23/11/1349812311.db2.gz MFKHDYHVRAQDOI-NHYWBVRUSA-N -1 1 344.375 2.392 20 5 EEBDMM O=[N+]([O-])c1ccc(N[C@@H](C2CC2)[C@H]2CCCOC2)cc1-c1nn[n-]n1 ZINC001593478778 1349812317 /nfs/dbraw/zinc/81/23/17/1349812317.db2.gz MFKHDYHVRAQDOI-NHYWBVRUSA-N -1 1 344.375 2.392 20 5 EEBDMM O=[N+]([O-])c1cccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC001593483740 1349814227 /nfs/dbraw/zinc/81/42/27/1349814227.db2.gz GIZGJESNHALJQB-UHFFFAOYSA-N -1 1 341.287 2.295 20 5 EEBDMM O=C([O-])[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccccc21 ZINC001601845685 1350379136 /nfs/dbraw/zinc/37/91/36/1350379136.db2.gz CJMVCJUARADSDJ-ZDUSSCGKSA-N -1 1 328.280 2.129 20 5 EEBDMM C[C@@H]1C[C@@H](CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001603851234 1350782417 /nfs/dbraw/zinc/78/24/17/1350782417.db2.gz VHDNFNFELGKMCN-MNOVXSKESA-N -1 1 332.364 2.392 20 5 EEBDMM C[C@@H]1C[C@@H](CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001603851234 1350782420 /nfs/dbraw/zinc/78/24/20/1350782420.db2.gz VHDNFNFELGKMCN-MNOVXSKESA-N -1 1 332.364 2.392 20 5 EEBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001605441997 1351158914 /nfs/dbraw/zinc/15/89/14/1351158914.db2.gz WVOLKZIUPNXDHO-ZETCQYMHSA-N -1 1 346.738 2.391 20 5 EEBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001605441997 1351158915 /nfs/dbraw/zinc/15/89/15/1351158915.db2.gz WVOLKZIUPNXDHO-ZETCQYMHSA-N -1 1 346.738 2.391 20 5 EEBDMM Cc1ccc([C@@H](O)CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC001605883685 1351246039 /nfs/dbraw/zinc/24/60/39/1351246039.db2.gz DWKCBKICEUEKCF-HNNXBMFYSA-N -1 1 340.343 2.229 20 5 EEBDMM O=[N+]([O-])c1cc(NCCOc2ccccc2F)ccc1-c1nn[n-]n1 ZINC001607080593 1351409087 /nfs/dbraw/zinc/40/90/87/1351409087.db2.gz XZUUSWAOZNROPF-UHFFFAOYSA-N -1 1 344.306 2.405 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC2(CC2(F)F)CC1 ZINC001607085787 1351412488 /nfs/dbraw/zinc/41/24/88/1351412488.db2.gz OPSGWAWYXZEKKD-UHFFFAOYSA-N -1 1 342.331 2.462 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC2(CC2(F)F)CC1 ZINC001607085787 1351412490 /nfs/dbraw/zinc/41/24/90/1351412490.db2.gz OPSGWAWYXZEKKD-UHFFFAOYSA-N -1 1 342.331 2.462 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@H]2CSC[C@@H]2C1 ZINC001607086069 1351412670 /nfs/dbraw/zinc/41/26/70/1351412670.db2.gz RQQHZVFVYQYMHF-YUMQZZPRSA-N -1 1 338.418 2.026 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@H]2CSC[C@@H]2C1 ZINC001607086069 1351412671 /nfs/dbraw/zinc/41/26/71/1351412671.db2.gz RQQHZVFVYQYMHF-YUMQZZPRSA-N -1 1 338.418 2.026 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CC12CCOCC2 ZINC000832317498 1372427158 /nfs/dbraw/zinc/42/71/58/1372427158.db2.gz KAZLPYAYZAQFRQ-LBPRGKRZSA-N -1 1 346.792 2.096 20 5 EEBDMM Cc1cc(N2CCCOC(C)(C)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592006465 1403982323 /nfs/dbraw/zinc/98/23/23/1403982323.db2.gz WVZARKXLNCKGPG-UHFFFAOYSA-N -1 1 332.364 2.089 20 5 EEBDMM Cc1cc(N2CCCOC(C)(C)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592006465 1403982326 /nfs/dbraw/zinc/98/23/26/1403982326.db2.gz WVZARKXLNCKGPG-UHFFFAOYSA-N -1 1 332.364 2.089 20 5 EEBDMM Cc1cc(N2CCSC[C@@H](C)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592008534 1403982824 /nfs/dbraw/zinc/98/28/24/1403982824.db2.gz IOWCHIVPTJTPLV-VIFPVBQESA-N -1 1 334.405 2.273 20 5 EEBDMM Cc1cc(N2CCSC[C@@H](C)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592008534 1403982829 /nfs/dbraw/zinc/98/28/29/1403982829.db2.gz IOWCHIVPTJTPLV-VIFPVBQESA-N -1 1 334.405 2.273 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)CCCO)cc1F ZINC000585115802 786464649 /nfs/dbraw/zinc/46/46/49/786464649.db2.gz UCAIJLJGGMKQDQ-UHFFFAOYSA-N -1 1 348.396 2.119 20 5 EEBDMM Cc1ccc(N2CCNC2=O)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000787695805 807196170 /nfs/dbraw/zinc/19/61/70/807196170.db2.gz XLDINLONYAJXEI-UHFFFAOYSA-N -1 1 329.316 2.013 20 5 EEBDMM Cc1c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cnn1C ZINC000794042444 810649216 /nfs/dbraw/zinc/64/92/16/810649216.db2.gz MPTGGBAJVCBKAN-UHFFFAOYSA-N -1 1 330.753 2.091 20 5 EEBDMM COc1c(O)ccc(CN2CCC(CCC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC001574177026 962791120 /nfs/dbraw/zinc/79/11/20/962791120.db2.gz DVVHKMUCHNKYGO-UHFFFAOYSA-N -1 1 338.360 2.386 20 5 EEBDMM CCN(Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC001596363198 983843048 /nfs/dbraw/zinc/84/30/48/983843048.db2.gz VNRZSPYDEMPYSL-ZDUSSCGKSA-N -1 1 338.360 2.059 20 5 EEBDMM CC1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000193795445 240313433 /nfs/dbraw/zinc/31/34/33/240313433.db2.gz BAKJYUQMHHXBFD-UHFFFAOYSA-N -1 1 327.340 2.230 20 5 EEBDMM CC1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000161026957 206323139 /nfs/dbraw/zinc/32/31/39/206323139.db2.gz YCODSCJSPFCVMO-UHFFFAOYSA-N -1 1 334.781 2.096 20 5 EEBDMM COC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000175359201 207120246 /nfs/dbraw/zinc/12/02/46/207120246.db2.gz LJQBWOKPARDYFG-LLVKDONJSA-N -1 1 340.357 2.162 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccccn1 ZINC000119475514 221328459 /nfs/dbraw/zinc/32/84/59/221328459.db2.gz XHJSZJCLEJRNPN-UHFFFAOYSA-N -1 1 327.749 2.122 20 5 EEBDMM O=C(Nc1cc(Cl)cc2c1OCC(=O)N2)c1ccc([N+](=O)[O-])[n-]1 ZINC000345509258 161307279 /nfs/dbraw/zinc/30/72/79/161307279.db2.gz ZHRPCUUIUZKDCU-UHFFFAOYSA-N -1 1 336.691 2.160 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)c1 ZINC000351498267 161804672 /nfs/dbraw/zinc/80/46/72/161804672.db2.gz JSMNWAPJHGCVJH-UHFFFAOYSA-N -1 1 349.368 2.111 20 5 EEBDMM C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000285752421 274786643 /nfs/dbraw/zinc/78/66/43/274786643.db2.gz WPKQYOSUDAXDSA-VHSXEESVSA-N -1 1 348.808 2.199 20 5 EEBDMM Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000290570966 275219176 /nfs/dbraw/zinc/21/91/76/275219176.db2.gz BDAIUYWALLRRHM-SNVBAGLBSA-N -1 1 346.309 2.193 20 5 EEBDMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)n1 ZINC000415639398 313157604 /nfs/dbraw/zinc/15/76/04/313157604.db2.gz QBBMKANMFFYOFO-UHFFFAOYSA-N -1 1 348.315 2.146 20 5 EEBDMM O=C(NCc1c(F)cc(F)c(F)c1F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000437813526 315053945 /nfs/dbraw/zinc/05/39/45/315053945.db2.gz AOZAFZOXQHPMEL-UHFFFAOYSA-N -1 1 345.208 2.182 20 5 EEBDMM CSc1ccc(F)cc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445017675 315337724 /nfs/dbraw/zinc/33/77/24/315337724.db2.gz HDLBXTGGYRMQAN-UHFFFAOYSA-N -1 1 337.332 2.486 20 5 EEBDMM O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000507468970 316380742 /nfs/dbraw/zinc/38/07/42/316380742.db2.gz PGBDFLHEXRSDIN-CYBMUJFWSA-N -1 1 347.302 2.478 20 5 EEBDMM Cc1ccc(Cc2nnc([N-]C(=O)c3c[nH]nc3[N+](=O)[O-])s2)cc1 ZINC000548413797 318387171 /nfs/dbraw/zinc/38/71/71/318387171.db2.gz OEOABMXOLOMAKM-UHFFFAOYSA-N -1 1 344.356 2.321 20 5 EEBDMM CCN(CC(=O)[O-])Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000566803021 319323038 /nfs/dbraw/zinc/32/30/38/319323038.db2.gz REAMDUTXFNRPPB-UHFFFAOYSA-N -1 1 334.275 2.111 20 5 EEBDMM O=C(Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)c1ccc([O-])cc1 ZINC000535135190 320713231 /nfs/dbraw/zinc/71/32/31/320713231.db2.gz RYACNSVFLDZPQI-UHFFFAOYSA-N -1 1 341.279 2.000 20 5 EEBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000351511577 465194319 /nfs/dbraw/zinc/19/43/19/465194319.db2.gz PIYGTPXXYZKOCX-UHFFFAOYSA-N -1 1 336.325 2.433 20 5 EEBDMM CCOC(=O)c1cnc(C(C)=Cc2cccc([N+](=O)[O-])c2)[n-]c1=O ZINC000188021118 464183969 /nfs/dbraw/zinc/18/39/69/464183969.db2.gz AWPUTMADAZNHLZ-JXMROGBWSA-N -1 1 329.312 2.415 20 5 EEBDMM CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000347955330 465332437 /nfs/dbraw/zinc/33/24/37/465332437.db2.gz IPALLKZKQSMUNK-VIFPVBQESA-N -1 1 332.316 2.149 20 5 EEBDMM O=C(NCc1c(F)cccc1Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000353786484 466148003 /nfs/dbraw/zinc/14/80/03/466148003.db2.gz MFNVMBGBJJWFHK-UHFFFAOYSA-N -1 1 325.683 2.418 20 5 EEBDMM O=C([O-])CC1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000532000383 468088955 /nfs/dbraw/zinc/08/89/55/468088955.db2.gz VQADTDRBNVGARN-UHFFFAOYSA-N -1 1 346.343 2.379 20 5 EEBDMM Cc1c(NC(=O)[C@H](C)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000600702283 468625939 /nfs/dbraw/zinc/62/59/39/468625939.db2.gz NFFGNVGLGAFFPE-WXHSDQCUSA-N -1 1 349.387 2.273 20 5 EEBDMM O=C(NCc1nc(C(F)(F)F)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193611840 534700908 /nfs/dbraw/zinc/70/09/08/534700908.db2.gz GTXPCMMDUBIYQY-UHFFFAOYSA-N -1 1 348.262 2.101 20 5 EEBDMM O=C(COC(=O)c1ccc([O-])cc1F)Nc1ccccc1[N+](=O)[O-] ZINC000773575594 577352362 /nfs/dbraw/zinc/35/23/62/577352362.db2.gz KREWSOHUDWSOQF-UHFFFAOYSA-N -1 1 334.259 2.235 20 5 EEBDMM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC000753377414 577786242 /nfs/dbraw/zinc/78/62/42/577786242.db2.gz OHMZIKUQSMTISM-NWDGAFQWSA-N -1 1 348.808 2.340 20 5 EEBDMM C[C@H](CN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000736570741 578212196 /nfs/dbraw/zinc/21/21/96/578212196.db2.gz GEXMQPWYVMNUFZ-RKDXNWHRSA-N -1 1 343.767 2.228 20 5 EEBDMM CC(C)c1ccc(CN2CCC([C@@H](O)C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000833510098 604760941 /nfs/dbraw/zinc/76/09/41/604760941.db2.gz KHDLPQPWIPTDOA-MRXNPFEDSA-N -1 1 336.388 2.376 20 5 EEBDMM Nc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000018707245 683071628 /nfs/dbraw/zinc/07/16/28/683071628.db2.gz KUMNKPPZMYVONY-UHFFFAOYSA-N -1 1 329.284 2.256 20 5 EEBDMM CSCC[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000866815005 1201611873 /nfs/dbraw/zinc/61/18/73/1201611873.db2.gz JJDOWZOSZZFCNB-SECBINFHSA-N -1 1 336.410 2.462 20 5 EEBDMM Cc1cc(N(C)CCCNC(=O)c2ncccc2[O-])ccc1[N+](=O)[O-] ZINC001095527121 1205856468 /nfs/dbraw/zinc/85/64/68/1205856468.db2.gz VHSHYDUUFFMWDY-UHFFFAOYSA-N -1 1 344.371 2.260 20 5 EEBDMM CN(CCCNC(=O)c1ncccc1[O-])c1ccc(F)cc1[N+](=O)[O-] ZINC001095526738 1205857411 /nfs/dbraw/zinc/85/74/11/1205857411.db2.gz HFIQGSQKJQIHHC-UHFFFAOYSA-N -1 1 348.334 2.091 20 5 EEBDMM COC(=O)c1cc(N)cc2c1cnn2-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229424 1289363594 /nfs/dbraw/zinc/36/35/94/1289363594.db2.gz NECLWOAGMHFOGU-UHFFFAOYSA-N -1 1 328.284 2.008 20 5 EEBDMM COc1c(O)ccc2c(=O)c3c(OC4CC(O)C4)cc([O-])cc3oc21 ZINC001218262118 1297617748 /nfs/dbraw/zinc/61/77/48/1297617748.db2.gz VETGLFPMWGVYEI-UHFFFAOYSA-N -1 1 344.319 2.268 20 5 EEBDMM O=c1c2cc(OC3COCOC3)c([O-])cc2oc2cccc(O)c12 ZINC001227306848 1301775307 /nfs/dbraw/zinc/77/53/07/1301775307.db2.gz NZBMYCTYHVAYPV-UHFFFAOYSA-N -1 1 330.292 2.109 20 5 EEBDMM COCC(COC)Oc1cc2c(=O)c3c(O)cccc3oc2cc1[O-] ZINC001227306227 1301775826 /nfs/dbraw/zinc/77/58/26/1301775826.db2.gz HSOPZUFEGCRTSV-UHFFFAOYSA-N -1 1 346.335 2.398 20 5 EEBDMM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229750139 1302934651 /nfs/dbraw/zinc/93/46/51/1302934651.db2.gz KNOJAGWNWBTSLD-VIFPVBQESA-N -1 1 336.304 2.489 20 5 EEBDMM CCOC(=O)C(F)(F)[C@@H](CC)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231261264 1303708781 /nfs/dbraw/zinc/70/87/81/1303708781.db2.gz ZVOVHOXDOLIOFM-SECBINFHSA-N -1 1 334.275 2.360 20 5 EEBDMM CSCCCSCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000840214800 1315328117 /nfs/dbraw/zinc/32/81/17/1315328117.db2.gz NPZLVYDFSOPPBL-UHFFFAOYSA-N -1 1 328.415 2.338 20 5 EEBDMM C[C@@H]1CN(CCc2nnc(-c3cc([N+](=O)[O-])ccc3[O-])o2)C[C@@H](C)O1 ZINC001258019068 1319132848 /nfs/dbraw/zinc/13/28/48/1319132848.db2.gz IWCQIGIFNWUCQE-GHMZBOCLSA-N -1 1 348.359 2.002 20 5 EEBDMM CN(C)S(=O)(=O)c1ccc([O-])c(Nc2cccc([N+](=O)[O-])c2)c1 ZINC001204477286 1322151747 /nfs/dbraw/zinc/15/17/47/1322151747.db2.gz RSQQFGVEJDWOTQ-UHFFFAOYSA-N -1 1 337.357 2.294 20 5 EEBDMM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1nc(-c2nnn[n-]2)cs1 ZINC001590331035 1349270511 /nfs/dbraw/zinc/27/05/11/1349270511.db2.gz FEUIQKKKDOTERP-MRVPVSSYSA-N -1 1 343.372 2.183 20 5 EEBDMM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1nc(-c2nn[n-]n2)cs1 ZINC001590331035 1349270515 /nfs/dbraw/zinc/27/05/15/1349270515.db2.gz FEUIQKKKDOTERP-MRVPVSSYSA-N -1 1 343.372 2.183 20 5 EEBDMM C[C@H](CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)CC(F)F ZINC001609113716 1351848857 /nfs/dbraw/zinc/84/88/57/1351848857.db2.gz DIRXSKQWWPLCDL-LURJTMIESA-N -1 1 327.295 2.060 20 5 EEBDMM C[C@H](CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)CC(F)F ZINC001609113716 1351848861 /nfs/dbraw/zinc/84/88/61/1351848861.db2.gz DIRXSKQWWPLCDL-LURJTMIESA-N -1 1 327.295 2.060 20 5 EEBDMM C[C@@]1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCCC[C@H]1O ZINC001609149523 1351862218 /nfs/dbraw/zinc/86/22/18/1351862218.db2.gz PDYXTOMZLLTNRJ-HIFRSBDPSA-N -1 1 332.364 2.128 20 5 EEBDMM C[C@@]1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCCC[C@H]1O ZINC001609149523 1351862222 /nfs/dbraw/zinc/86/22/22/1351862222.db2.gz PDYXTOMZLLTNRJ-HIFRSBDPSA-N -1 1 332.364 2.128 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCCC2(CCOCC2)C1 ZINC001609599678 1352030102 /nfs/dbraw/zinc/03/01/02/1352030102.db2.gz VECOXVCJHYKZOV-UHFFFAOYSA-N -1 1 344.375 2.172 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCCC2(CCOCC2)C1 ZINC001609599678 1352030105 /nfs/dbraw/zinc/03/01/05/1352030105.db2.gz VECOXVCJHYKZOV-UHFFFAOYSA-N -1 1 344.375 2.172 20 5 EEBDMM CC(C)[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001589501186 1348997050 /nfs/dbraw/zinc/99/70/50/1348997050.db2.gz WRFKFXQCSNYABE-WCBMZHEXSA-N -1 1 338.393 2.452 20 5 EEBDMM CC(C)[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001589501186 1348997055 /nfs/dbraw/zinc/99/70/55/1348997055.db2.gz WRFKFXQCSNYABE-WCBMZHEXSA-N -1 1 338.393 2.452 20 5 EEBDMM C[C@@H]1C[C@H](CCNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001590191980 1349192762 /nfs/dbraw/zinc/19/27/62/1349192762.db2.gz ZIVCHEIDQOBVEK-RKDXNWHRSA-N -1 1 338.393 2.454 20 5 EEBDMM C[C@@H]1C[C@H](CCNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001590191980 1349192767 /nfs/dbraw/zinc/19/27/67/1349192767.db2.gz ZIVCHEIDQOBVEK-RKDXNWHRSA-N -1 1 338.393 2.454 20 5 EEBDMM C[C@H]1Cc2cc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])ccc2O1 ZINC001590329310 1349268933 /nfs/dbraw/zinc/26/89/33/1349268933.db2.gz MRPJYKSLOQYKKP-QMMMGPOBSA-N -1 1 339.315 2.237 20 5 EEBDMM C[C@H]1Cc2cc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])ccc2O1 ZINC001590329310 1349268938 /nfs/dbraw/zinc/26/89/38/1349268938.db2.gz MRPJYKSLOQYKKP-QMMMGPOBSA-N -1 1 339.315 2.237 20 5 EEBDMM CCc1nc(C)c(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)o1 ZINC001590911615 1349409864 /nfs/dbraw/zinc/40/98/64/1349409864.db2.gz MOCWQVUDMFGBGF-UHFFFAOYSA-N -1 1 329.320 2.246 20 5 EEBDMM CCc1nc(C)c(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)o1 ZINC001590911615 1349409868 /nfs/dbraw/zinc/40/98/68/1349409868.db2.gz MOCWQVUDMFGBGF-UHFFFAOYSA-N -1 1 329.320 2.246 20 5 EEBDMM COC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC001591303365 1349457401 /nfs/dbraw/zinc/45/74/01/1349457401.db2.gz STTYJPBRCXIBKE-UHFFFAOYSA-N -1 1 341.283 2.354 20 5 EEBDMM COC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC001591303365 1349457408 /nfs/dbraw/zinc/45/74/08/1349457408.db2.gz STTYJPBRCXIBKE-UHFFFAOYSA-N -1 1 341.283 2.354 20 5 EEBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001592197688 1349604512 /nfs/dbraw/zinc/60/45/12/1349604512.db2.gz PUWRTQQGLVQRRE-UHFFFAOYSA-N -1 1 330.329 2.397 20 5 EEBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001592197688 1349604525 /nfs/dbraw/zinc/60/45/25/1349604525.db2.gz PUWRTQQGLVQRRE-UHFFFAOYSA-N -1 1 330.329 2.397 20 5 EEBDMM Cn1cc2c(n1)CCC[C@H]2Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001592577404 1349660459 /nfs/dbraw/zinc/66/04/59/1349660459.db2.gz BOCJBINHJFLFSD-MRVPVSSYSA-N -1 1 346.376 2.059 20 5 EEBDMM Cn1cc2c(n1)CCC[C@H]2Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001592577404 1349660465 /nfs/dbraw/zinc/66/04/65/1349660465.db2.gz BOCJBINHJFLFSD-MRVPVSSYSA-N -1 1 346.376 2.059 20 5 EEBDMM Cc1cc(C2CCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])CC2)[nH]n1 ZINC001600184433 1349987596 /nfs/dbraw/zinc/98/75/96/1349987596.db2.gz MEHRUNZTLYTATL-UHFFFAOYSA-N -1 1 331.332 2.104 20 5 EEBDMM O=C([O-])CCc1ccc(O)c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC001602041234 1350424853 /nfs/dbraw/zinc/42/48/53/1350424853.db2.gz DKISFTQWMSJMAP-UHFFFAOYSA-N -1 1 346.295 2.276 20 5 EEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccncc2)cc1Cl ZINC000798224643 1371574144 /nfs/dbraw/zinc/57/41/44/1371574144.db2.gz PABJVLYKNSFTAS-UHFFFAOYSA-N -1 1 345.739 2.261 20 5 EEBDMM NC(=O)c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)s1 ZINC000170822534 791078866 /nfs/dbraw/zinc/07/88/66/791078866.db2.gz ZPXBEJFMGMIPDS-UHFFFAOYSA-N -1 1 327.268 2.286 20 5 EEBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN(C)C[C@@H]2CC(C)C)n1 ZINC000910375958 786704521 /nfs/dbraw/zinc/70/45/21/786704521.db2.gz UHVMRTNQQWPTQD-LBPRGKRZSA-N -1 1 336.392 2.163 20 5 EEBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1C=CCC1 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HVFHSWDUVKURTQ-WCBMZHEXSA-N -1 1 334.781 2.094 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000192805211 160174626 /nfs/dbraw/zinc/17/46/26/160174626.db2.gz ADUMSOXWFVYNDK-CQSZACIVSA-N -1 1 347.302 2.048 20 5 EEBDMM Cc1nc(COc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)no1 ZINC000341931367 161025169 /nfs/dbraw/zinc/02/51/69/161025169.db2.gz OJCMUPUSTVMAHR-UHFFFAOYSA-N -1 1 343.299 2.446 20 5 EEBDMM COc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1)NC(=O)CC2 ZINC000344342874 161218555 /nfs/dbraw/zinc/21/85/55/161218555.db2.gz CMDHRBUUZYLGFU-UHFFFAOYSA-N -1 1 330.300 2.069 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2ccc(O)cc2)CC1 ZINC000275163196 269099714 /nfs/dbraw/zinc/09/97/14/269099714.db2.gz UYWVHAAXDHWHSX-UHFFFAOYSA-N -1 1 343.339 2.421 20 5 EEBDMM CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])n[nH]1 ZINC000278006362 269206138 /nfs/dbraw/zinc/20/61/38/269206138.db2.gz XEAMJTAGVYSPBL-RKDXNWHRSA-N -1 1 333.348 2.423 20 5 EEBDMM CC(C)OCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119491212 279666422 /nfs/dbraw/zinc/66/64/22/279666422.db2.gz PZCQCSNPGWPBDN-UHFFFAOYSA-N -1 1 336.797 2.342 20 5 EEBDMM Cc1cc(NCCN2CCSCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565482908 319187069 /nfs/dbraw/zinc/18/70/69/319187069.db2.gz ADZURNWWCMPNSR-UHFFFAOYSA-N -1 1 325.390 2.062 20 5 EEBDMM Cc1ccc(NCCCNC(=O)c2cncc([O-])c2)c([N+](=O)[O-])c1 ZINC000156089886 462978867 /nfs/dbraw/zinc/97/88/67/462978867.db2.gz KLNNHHJLIVJYCH-UHFFFAOYSA-N -1 1 330.344 2.236 20 5 EEBDMM CC(C)(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000159313073 463278802 /nfs/dbraw/zinc/27/88/02/463278802.db2.gz VSPPGVJWOVKQNT-UHFFFAOYSA-N -1 1 335.404 2.494 20 5 EEBDMM C[C@@H]1CN(CCCNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000553812330 468380607 /nfs/dbraw/zinc/38/06/07/468380607.db2.gz UJGBVVZJGBQKRC-TXEJJXNPSA-N -1 1 337.376 2.204 20 5 EEBDMM COC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000185884904 463899375 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EEBDMM CCN(CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1C ZINC000302951224 466213649 /nfs/dbraw/zinc/21/36/49/466213649.db2.gz NZXBKGXXWJDBSX-UHFFFAOYSA-N -1 1 344.371 2.260 20 5 EEBDMM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2sccc2F)c1 ZINC000338939719 466502970 /nfs/dbraw/zinc/50/29/70/466502970.db2.gz OXGBYGIUOUZIDN-UHFFFAOYSA-N -1 1 330.362 2.316 20 5 EEBDMM Cc1c(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cccc1[N+](=O)[O-] ZINC000332380674 466535072 /nfs/dbraw/zinc/53/50/72/466535072.db2.gz YPYJHVPCHFISID-SNVBAGLBSA-N -1 1 332.316 2.012 20 5 EEBDMM Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000322728579 466634143 /nfs/dbraw/zinc/63/41/43/466634143.db2.gz XJMNHXZZXAGZKL-UHFFFAOYSA-N -1 1 339.329 2.039 20 5 EEBDMM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1c[nH]nc1[N+](=O)[O-] ZINC000574019935 469246499 /nfs/dbraw/zinc/24/64/99/469246499.db2.gz UICAMLOUCHDVNN-UHFFFAOYSA-N -1 1 333.695 2.009 20 5 EEBDMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCC1 ZINC000599472503 469268164 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Cc1cc(Br)c([O-])c(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000354738194 465123283 /nfs/dbraw/zinc/12/32/83/465123283.db2.gz VDYGFAAYSYEYPH-UHFFFAOYSA-N -1 1 341.121 2.347 20 5 EEBDMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000339391555 465243230 /nfs/dbraw/zinc/24/32/30/465243230.db2.gz CXMZJSLBINOSEA-UHFFFAOYSA-N -1 1 338.707 2.400 20 5 EEBDMM O=C([O-])c1cnn(C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000578995246 468293058 /nfs/dbraw/zinc/29/30/58/468293058.db2.gz FZKJNCRQVZYGTM-UHFFFAOYSA-N -1 1 330.344 2.327 20 5 EEBDMM CC(C)n1c(CCNC(=O)c2ccc([N+](=O)[O-])cc2)n[n-]c1=S ZINC000078542845 463127227 /nfs/dbraw/zinc/12/72/27/463127227.db2.gz RHJLPWGRYIQSEP-UHFFFAOYSA-N -1 1 335.389 2.402 20 5 EEBDMM CC(C)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000193886816 463754872 /nfs/dbraw/zinc/75/48/72/463754872.db2.gz IJPYYEOXYRUOHO-UHFFFAOYSA-N -1 1 337.376 2.363 20 5 EEBDMM COc1ccccc1C(C)(C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188407087 464273831 /nfs/dbraw/zinc/27/38/31/464273831.db2.gz AWIZMJSUABKLOW-UHFFFAOYSA-N -1 1 331.328 2.369 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@H]1CCO ZINC000188910985 464392653 /nfs/dbraw/zinc/39/26/53/464392653.db2.gz GIFNRKWGUPAKJT-GXSJLCMTSA-N -1 1 348.808 2.078 20 5 EEBDMM Cc1ccc(N2CCOCC2)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000281702402 464554246 /nfs/dbraw/zinc/55/42/46/464554246.db2.gz HEXSKETWLQYAHN-UHFFFAOYSA-N -1 1 330.344 2.320 20 5 EEBDMM CCC(CC)c1nnc([N-]C(=O)c2ccnc(N)c2[N+](=O)[O-])s1 ZINC000548712367 468456549 /nfs/dbraw/zinc/45/65/49/468456549.db2.gz CELAGPFIJDDZPM-UHFFFAOYSA-N -1 1 336.377 2.579 20 5 EEBDMM Cc1c([N-]c2nccc(C(N)=O)c2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000357466916 466060932 /nfs/dbraw/zinc/06/09/32/466060932.db2.gz ZAROVKBEBBAUAJ-UHFFFAOYSA-N -1 1 338.327 2.326 20 5 EEBDMM O=C([N-]c1nnc(C=Cc2ccco2)s1)c1c[nH]nc1[N+](=O)[O-] ZINC000619789692 469682959 /nfs/dbraw/zinc/68/29/59/469682959.db2.gz BVWNULZJCXEFKX-ARJAWSKDSA-N -1 1 332.301 2.185 20 5 EEBDMM CC(C)COC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccco1 ZINC000187986519 528109953 /nfs/dbraw/zinc/10/99/53/528109953.db2.gz NVWHFXRTRNSILX-LBPRGKRZSA-N -1 1 349.343 2.432 20 5 EEBDMM CC[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1ccccc1F ZINC000187167038 529359514 /nfs/dbraw/zinc/35/95/14/529359514.db2.gz OVCDMEATHLYHGA-LLVKDONJSA-N -1 1 349.318 2.422 20 5 EEBDMM C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769048816 577568016 /nfs/dbraw/zinc/56/80/16/577568016.db2.gz RXBSMGUKMBIBNG-GHMZBOCLSA-N -1 1 336.344 2.247 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccc(Cl)cc1 ZINC000823624910 607162153 /nfs/dbraw/zinc/16/21/53/607162153.db2.gz KFIFBKKKIXSBPM-UHFFFAOYSA-N -1 1 345.750 2.478 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccc(Cl)cc1 ZINC000823624910 607162155 /nfs/dbraw/zinc/16/21/55/607162155.db2.gz KFIFBKKKIXSBPM-UHFFFAOYSA-N -1 1 345.750 2.478 20 5 EEBDMM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])O1 ZINC000841534465 1187116511 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EEBDMM C[C@H](O)CCCC(=O)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228859259 1302489843 /nfs/dbraw/zinc/48/98/43/1302489843.db2.gz KECHNGCOLKLWCC-LURJTMIESA-N -1 1 338.238 2.171 20 5 EEBDMM O=[N+]([O-])C[C@@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])C1CC1 ZINC001234877081 1305043874 /nfs/dbraw/zinc/04/38/74/1305043874.db2.gz KSPVKSNUXZVLPB-SNVBAGLBSA-N -1 1 347.121 2.497 20 5 EEBDMM CON(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](C)c1csc(C)n1 ZINC001117816831 1306175375 /nfs/dbraw/zinc/17/53/75/1306175375.db2.gz LIWMFTADTRANFH-SSDOTTSWSA-N -1 1 338.345 2.225 20 5 EEBDMM CCC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1nn[n-]n1 ZINC000829801912 1314516241 /nfs/dbraw/zinc/51/62/41/1314516241.db2.gz UVFOPHSWBJHVCL-JTQLQIEISA-N -1 1 338.755 2.341 20 5 EEBDMM CC(C)c1nnc(Sc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)n1C ZINC001609107156 1351845807 /nfs/dbraw/zinc/84/58/07/1351845807.db2.gz VFNPPCAEMHCGEM-UHFFFAOYSA-N -1 1 346.376 2.178 20 5 EEBDMM CC(C)c1nnc(Sc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)n1C 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EEBDMM O=C1CCCC12CCN(c1cc(-c3nnn[n-]3)sc1[N+](=O)[O-])CC2 ZINC001593394470 1349797379 /nfs/dbraw/zinc/79/73/79/1349797379.db2.gz WJSKAXYLRTYAGT-UHFFFAOYSA-N -1 1 348.388 2.176 20 5 EEBDMM O=C1CCCC12CCN(c1cc(-c3nn[n-]n3)sc1[N+](=O)[O-])CC2 ZINC001593394470 1349797380 /nfs/dbraw/zinc/79/73/80/1349797380.db2.gz WJSKAXYLRTYAGT-UHFFFAOYSA-N -1 1 348.388 2.176 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCCc2cccnc21 ZINC001593465090 1349802727 /nfs/dbraw/zinc/80/27/27/1349802727.db2.gz APWQJPJDVYUYCR-NSHDSACASA-N -1 1 338.331 2.054 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCCc2cccnc21 ZINC001593465090 1349802730 /nfs/dbraw/zinc/80/27/30/1349802730.db2.gz APWQJPJDVYUYCR-NSHDSACASA-N -1 1 338.331 2.054 20 5 EEBDMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1Cc1ccc([N+](=O)[O-])cc1 ZINC001593495195 1349819328 /nfs/dbraw/zinc/81/93/28/1349819328.db2.gz XOJUACJAVDMNGM-UHFFFAOYSA-N -1 1 348.322 2.138 20 5 EEBDMM O=c1c(-c2nn[n-]n2)cn(CC2CC=CC2)c2ccc([N+](=O)[O-])cc12 ZINC001593494618 1349819916 /nfs/dbraw/zinc/81/99/16/1349819916.db2.gz MABKHJNYKJEVDV-UHFFFAOYSA-N -1 1 338.327 2.056 20 5 EEBDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC001600305450 1350016123 /nfs/dbraw/zinc/01/61/23/1350016123.db2.gz ZKPWTUYFQDKKDD-CLLJXQQHSA-N -1 1 349.387 2.415 20 5 EEBDMM O=C([O-])c1ccc(-c2nc(COC(=O)[C@@H]3CC3[N+](=O)[O-])cs2)cc1 ZINC001602310961 1350490609 /nfs/dbraw/zinc/49/06/09/1350490609.db2.gz VNJQBDXKVYKCES-VXGBXAGGSA-N -1 1 348.336 2.217 20 5 EEBDMM CC(C)O[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001603347522 1350692597 /nfs/dbraw/zinc/69/25/97/1350692597.db2.gz QJVHQVMOLZCUNG-GFCCVEGCSA-N -1 1 332.364 2.169 20 5 EEBDMM CC(C)O[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001603347522 1350692598 /nfs/dbraw/zinc/69/25/98/1350692598.db2.gz QJVHQVMOLZCUNG-GFCCVEGCSA-N -1 1 332.364 2.169 20 5 EEBDMM CC1(C)[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC001603758268 1350758952 /nfs/dbraw/zinc/75/89/52/1350758952.db2.gz VNIGWIOSKMXNDN-WQGWLQIFSA-N -1 1 336.377 2.062 20 5 EEBDMM CC1(C)[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC001603758268 1350758953 /nfs/dbraw/zinc/75/89/53/1350758953.db2.gz VNIGWIOSKMXNDN-WQGWLQIFSA-N -1 1 336.377 2.062 20 5 EEBDMM Nc1cc(NCCc2ccsc2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606451575 1351304673 /nfs/dbraw/zinc/30/46/73/1351304673.db2.gz UERSCRZEAHNEMI-UHFFFAOYSA-N -1 1 331.361 2.073 20 5 EEBDMM Nc1cc(NCCc2ccsc2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606451575 1351304676 /nfs/dbraw/zinc/30/46/76/1351304676.db2.gz UERSCRZEAHNEMI-UHFFFAOYSA-N -1 1 331.361 2.073 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CC2CCC1CC2 ZINC001607077321 1351407033 /nfs/dbraw/zinc/40/70/33/1351407033.db2.gz PXIGBUWMIOQKBY-VQXHTEKXSA-N -1 1 329.364 2.408 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CC2CCC1CC2 ZINC001607077321 1351407035 /nfs/dbraw/zinc/40/70/35/1351407035.db2.gz PXIGBUWMIOQKBY-VQXHTEKXSA-N -1 1 329.364 2.408 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001607077566 1351407980 /nfs/dbraw/zinc/40/79/80/1351407980.db2.gz ZQCZGAUSPCZVBY-NWDGAFQWSA-N -1 1 341.306 2.277 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001607077566 1351407984 /nfs/dbraw/zinc/40/79/84/1351407984.db2.gz ZQCZGAUSPCZVBY-NWDGAFQWSA-N -1 1 341.306 2.277 20 5 EEBDMM Cc1ccc(CN2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)cc1[N+](=O)[O-] ZINC001607780485 1351557119 /nfs/dbraw/zinc/55/71/19/1351557119.db2.gz GLMGHJSHXVTBRZ-CYBMUJFWSA-N -1 1 345.359 2.030 20 5 EEBDMM Nc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000157577798 789833958 /nfs/dbraw/zinc/83/39/58/789833958.db2.gz DGHVZXGGNDEORE-UHFFFAOYSA-N -1 1 347.274 2.395 20 5 EEBDMM COc1cc(CNCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])cc1O ZINC000426686730 241324956 /nfs/dbraw/zinc/32/49/56/241324956.db2.gz GRFRBPMIVLTBMD-UHFFFAOYSA-N -1 1 332.312 2.297 20 5 EEBDMM O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc2ccccc2c1[O-] ZINC000129998942 292366427 /nfs/dbraw/zinc/36/64/27/292366427.db2.gz KRZMPYPXHPQONB-UHFFFAOYSA-N -1 1 326.312 2.080 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCCN(c2ccccc2)CC1 ZINC000194410806 160193141 /nfs/dbraw/zinc/19/31/41/160193141.db2.gz SHHXIMWNFUJYHF-UHFFFAOYSA-N -1 1 342.355 2.048 20 5 EEBDMM O=C(NCCCSc1ccccn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000352613322 162211955 /nfs/dbraw/zinc/21/19/55/162211955.db2.gz ANQHDTHXJISKRW-UHFFFAOYSA-N -1 1 334.357 2.003 20 5 EEBDMM CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1 ZINC000181904237 289287600 /nfs/dbraw/zinc/28/76/00/289287600.db2.gz FYYARFBOYANZEH-HNNXBMFYSA-N -1 1 347.346 2.472 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C1CC1 ZINC000525188798 317044429 /nfs/dbraw/zinc/04/44/29/317044429.db2.gz RUVHJTDSFXQKMO-AWEZNQCLSA-N -1 1 347.396 2.289 20 5 EEBDMM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000567241589 319362617 /nfs/dbraw/zinc/36/26/17/319362617.db2.gz AHLWZDAXCRIUNZ-NEPJUHHUSA-N -1 1 345.359 2.283 20 5 EEBDMM O=C(NCCCNc1cccc(F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000182916107 323391615 /nfs/dbraw/zinc/39/16/15/323391615.db2.gz KETZCPUXEWKRFV-UHFFFAOYSA-N -1 1 334.307 2.067 20 5 EEBDMM COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1Cl ZINC000151327152 463512661 /nfs/dbraw/zinc/51/26/61/463512661.db2.gz JBHFJGTVTKUCHD-UHFFFAOYSA-N -1 1 337.719 2.287 20 5 EEBDMM Cc1ccc([N+](=O)[O-])c(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1 ZINC000281774189 464579405 /nfs/dbraw/zinc/57/94/05/464579405.db2.gz GXQDSKHFAJCFPK-UHFFFAOYSA-N -1 1 346.309 2.193 20 5 EEBDMM CNc1c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cccc1[N+](=O)[O-] ZINC000361159834 465806473 /nfs/dbraw/zinc/80/64/73/465806473.db2.gz QHVRHZZYLLXATD-UHFFFAOYSA-N -1 1 330.226 2.026 20 5 EEBDMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000436513447 467542733 /nfs/dbraw/zinc/54/27/33/467542733.db2.gz NLXNBCLODXYMCE-UHFFFAOYSA-N -1 1 346.295 2.348 20 5 EEBDMM O=C([O-])C[C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000532880955 468147637 /nfs/dbraw/zinc/14/76/37/468147637.db2.gz GCMBVDMHGLRRAW-LLVKDONJSA-N -1 1 346.343 2.332 20 5 EEBDMM CN(C)[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccsc1 ZINC000571169052 468751144 /nfs/dbraw/zinc/75/11/44/468751144.db2.gz IZVIQZBYVKUJNG-LBPRGKRZSA-N -1 1 336.373 2.464 20 5 EEBDMM C[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Cc1cccs1 ZINC000610266065 469997164 /nfs/dbraw/zinc/99/71/64/469997164.db2.gz LYPLYWWUARFHSZ-SNVBAGLBSA-N -1 1 341.414 2.208 20 5 EEBDMM CCOc1ccccc1CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193438044 528723233 /nfs/dbraw/zinc/72/32/33/528723233.db2.gz HYJCMEDHIXYITQ-UHFFFAOYSA-N -1 1 331.328 2.366 20 5 EEBDMM COc1ccccc1C[C@@H](C)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193643717 537051436 /nfs/dbraw/zinc/05/14/36/537051436.db2.gz FCGYUXBKJHGQNQ-LLVKDONJSA-N -1 1 345.355 2.407 20 5 EEBDMM CO[C@@H]1[C@@H](C)[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1(C)C ZINC000775739359 577444316 /nfs/dbraw/zinc/44/43/16/577444316.db2.gz FUXOUYVVIPZAIQ-AQUOVQTQSA-N -1 1 346.380 2.072 20 5 EEBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NC1CCCCC1 ZINC000769044798 577567902 /nfs/dbraw/zinc/56/79/02/577567902.db2.gz DLLUYGZMBUHLGM-JTQLQIEISA-N -1 1 336.344 2.295 20 5 EEBDMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)cc1[N+](=O)[O-] ZINC000762585919 577703743 /nfs/dbraw/zinc/70/37/43/577703743.db2.gz AAUPANZNJNBINE-UHFFFAOYSA-N -1 1 348.336 2.374 20 5 EEBDMM O=C([O-])C[C@@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000819380501 597077544 /nfs/dbraw/zinc/07/75/44/597077544.db2.gz OUZZHLWUOMSRMP-NSHDSACASA-N -1 1 346.343 2.332 20 5 EEBDMM C[C@@H]1C[C@@H]1Nc1cc(N[C@@H]2C[C@@H]2C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000820674710 599520682 /nfs/dbraw/zinc/52/06/82/599520682.db2.gz GHVPPYVFSIPUJJ-UFGYURQFSA-N -1 1 329.364 2.416 20 5 EEBDMM C[C@@H]1C[C@@H]1Nc1cc(N[C@@H]2C[C@@H]2C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000820674710 599520683 /nfs/dbraw/zinc/52/06/83/599520683.db2.gz GHVPPYVFSIPUJJ-UFGYURQFSA-N -1 1 329.364 2.416 20 5 EEBDMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000823487365 606569543 /nfs/dbraw/zinc/56/95/43/606569543.db2.gz BHQNZWPMPMKHKL-UHFFFAOYSA-N -1 1 342.340 2.039 20 5 EEBDMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000823487365 606569545 /nfs/dbraw/zinc/56/95/45/606569545.db2.gz BHQNZWPMPMKHKL-UHFFFAOYSA-N -1 1 342.340 2.039 20 5 EEBDMM CCc1nnc(Oc2ccc([N+](=O)[O-])cc2)c(-c2nnn[n-]2)c1CC ZINC000821548000 606915759 /nfs/dbraw/zinc/91/57/59/606915759.db2.gz FUHXBRCKWVPCHP-UHFFFAOYSA-N -1 1 341.331 2.482 20 5 EEBDMM CCc1nnc(Oc2ccc([N+](=O)[O-])cc2)c(-c2nn[n-]n2)c1CC ZINC000821548000 606915760 /nfs/dbraw/zinc/91/57/60/606915760.db2.gz FUHXBRCKWVPCHP-UHFFFAOYSA-N -1 1 341.331 2.482 20 5 EEBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]C(CF)CF)cc1[N+](=O)[O-] ZINC000885418424 1202412535 /nfs/dbraw/zinc/41/25/35/1202412535.db2.gz RSNWIEJNJVOVMB-UHFFFAOYSA-N -1 1 328.724 2.143 20 5 EEBDMM C[C@@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784396485 1304476918 /nfs/dbraw/zinc/47/69/18/1304476918.db2.gz GWTUDFXEETZPAM-UFBFGSQYSA-N -1 1 334.781 2.094 20 5 EEBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ncc[nH]1 ZINC001309681327 1331638099 /nfs/dbraw/zinc/63/80/99/1331638099.db2.gz UBEWICKEJXISRT-SSDOTTSWSA-N -1 1 330.753 2.011 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001609599461 1352030222 /nfs/dbraw/zinc/03/02/22/1352030222.db2.gz FCENYSRWNCUVFL-QWRGUYRKSA-N -1 1 329.364 2.186 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001609599461 1352030225 /nfs/dbraw/zinc/03/02/25/1352030225.db2.gz FCENYSRWNCUVFL-QWRGUYRKSA-N -1 1 329.364 2.186 20 5 EEBDMM CC(C)[C@@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001589500871 1348997299 /nfs/dbraw/zinc/99/72/99/1348997299.db2.gz SYHUOUGHFDMLGH-GWCFXTLKSA-N -1 1 332.364 2.390 20 5 EEBDMM CC(C)[C@@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001589500871 1348997301 /nfs/dbraw/zinc/99/73/01/1348997301.db2.gz SYHUOUGHFDMLGH-GWCFXTLKSA-N -1 1 332.364 2.390 20 5 EEBDMM CC(C)CCO[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001589607167 1349009706 /nfs/dbraw/zinc/00/97/06/1349009706.db2.gz HMHWZAIMGLMGSE-CYBMUJFWSA-N -1 1 346.391 2.416 20 5 EEBDMM C[C@]12CCN(c3cc(-c4nnn[n-]4)sc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC001590154973 1349177786 /nfs/dbraw/zinc/17/77/86/1349177786.db2.gz FULONPRAMOROOO-KCJUWKMLSA-N -1 1 342.331 2.318 20 5 EEBDMM C[C@]12CCN(c3cc(-c4nn[n-]n4)sc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC001590154973 1349177790 /nfs/dbraw/zinc/17/77/90/1349177790.db2.gz FULONPRAMOROOO-KCJUWKMLSA-N -1 1 342.331 2.318 20 5 EEBDMM O=[N+]([O-])c1c(NC[C@H]2CCC3(CCC3)O2)cccc1-c1nnn[n-]1 ZINC001593465344 1349802266 /nfs/dbraw/zinc/80/22/66/1349802266.db2.gz NEFUZKFVRNYPJS-SNVBAGLBSA-N -1 1 330.348 2.289 20 5 EEBDMM O=[N+]([O-])c1c(NC[C@H]2CCC3(CCC3)O2)cccc1-c1nn[n-]n1 ZINC001593465344 1349802271 /nfs/dbraw/zinc/80/22/71/1349802271.db2.gz NEFUZKFVRNYPJS-SNVBAGLBSA-N -1 1 330.348 2.289 20 5 EEBDMM O=[N+]([O-])c1cc(COc2cccnc2-c2nnn[n-]2)ccc1Cl ZINC001593473241 1349808144 /nfs/dbraw/zinc/80/81/44/1349808144.db2.gz RTUUQNGCRWVPGZ-UHFFFAOYSA-N -1 1 332.707 2.402 20 5 EEBDMM O=[N+]([O-])c1cc(COc2cccnc2-c2nn[n-]n2)ccc1Cl ZINC001593473241 1349808152 /nfs/dbraw/zinc/80/81/52/1349808152.db2.gz RTUUQNGCRWVPGZ-UHFFFAOYSA-N -1 1 332.707 2.402 20 5 EEBDMM O=[N+]([O-])c1cc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1-c1nn[n-]n1 ZINC001593473412 1349808533 /nfs/dbraw/zinc/80/85/33/1349808533.db2.gz BEPMLGAGLXHZIR-BNOWGMLFSA-N -1 1 342.359 2.144 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CC[C@H](c3nccs3)C2)cc1-c1nnn[n-]1 ZINC001593476635 1349810896 /nfs/dbraw/zinc/81/08/96/1349810896.db2.gz SUNFXVMHUOANHA-VIFPVBQESA-N -1 1 343.372 2.225 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CC[C@H](c3nccs3)C2)cc1-c1nn[n-]n1 ZINC001593476635 1349810897 /nfs/dbraw/zinc/81/08/97/1349810897.db2.gz SUNFXVMHUOANHA-VIFPVBQESA-N -1 1 343.372 2.225 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC[C@]2(CC2(F)F)C1 ZINC001593487199 1349816427 /nfs/dbraw/zinc/81/64/27/1349816427.db2.gz FJIVONHLKAFSDP-NSHDSACASA-N -1 1 342.331 2.462 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC[C@]2(CC2(F)F)C1 ZINC001593487199 1349816432 /nfs/dbraw/zinc/81/64/32/1349816432.db2.gz FJIVONHLKAFSDP-NSHDSACASA-N -1 1 342.331 2.462 20 5 EEBDMM Cn1cncc1C1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001600993676 1350184760 /nfs/dbraw/zinc/18/47/60/1350184760.db2.gz RLZCDICYPLUWME-UHFFFAOYSA-N -1 1 344.371 2.406 20 5 EEBDMM O=C([O-])[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001601458034 1350288294 /nfs/dbraw/zinc/28/82/94/1350288294.db2.gz MBXGGOYTFHSYAC-CQSZACIVSA-N -1 1 348.286 2.038 20 5 EEBDMM O=C([O-])C1([C@]2(O)CCCN(Cc3csc([N+](=O)[O-])c3)C2)CCC1 ZINC001601705556 1350343877 /nfs/dbraw/zinc/34/38/77/1350343877.db2.gz GFRAQJYOPVZPFF-HNNXBMFYSA-N -1 1 340.401 2.238 20 5 EEBDMM C[C@@](Cn1cccn1)(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001604245078 1350901539 /nfs/dbraw/zinc/90/15/39/1350901539.db2.gz SYYXSYADFDXRSE-AWEZNQCLSA-N -1 1 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1350830932 /nfs/dbraw/zinc/83/09/32/1350830932.db2.gz AGYALNFQYANLTE-UHFFFAOYSA-N -1 1 348.363 2.166 20 5 EEBDMM CO[C@](C)([C@@H](C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C1CC1 ZINC001604997376 1351049407 /nfs/dbraw/zinc/04/94/07/1351049407.db2.gz CTSDODIKCMPOIJ-FUXBKTLASA-N -1 1 338.393 2.452 20 5 EEBDMM CO[C@](C)([C@@H](C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C1CC1 ZINC001604997376 1351049410 /nfs/dbraw/zinc/04/94/10/1351049410.db2.gz CTSDODIKCMPOIJ-FUXBKTLASA-N -1 1 338.393 2.452 20 5 EEBDMM Cc1cc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc(C)n1 ZINC001605661731 1351213288 /nfs/dbraw/zinc/21/32/88/1351213288.db2.gz JNMTXGRPKXOJLD-UHFFFAOYSA-N -1 1 331.361 2.460 20 5 EEBDMM Cc1cc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc(C)n1 ZINC001605661731 1351213290 /nfs/dbraw/zinc/21/32/90/1351213290.db2.gz JNMTXGRPKXOJLD-UHFFFAOYSA-N -1 1 331.361 2.460 20 5 EEBDMM CN(CC1=CCSC1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001606096578 1351270489 /nfs/dbraw/zinc/27/04/89/1351270489.db2.gz KHSHPMPAKZCBDN-UHFFFAOYSA-N -1 1 338.385 2.163 20 5 EEBDMM O=[N+]([O-])c1cc(N2CCC[C@H]([C@@H]3CCOC3)C2)ccc1-c1nn[n-]n1 ZINC001607079035 1351408533 /nfs/dbraw/zinc/40/85/33/1351408533.db2.gz VHTYTKWLCUFDTH-NWDGAFQWSA-N -1 1 344.375 2.028 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@H]1C[C@@H]1c1cccnc1 ZINC001607088899 1351412932 /nfs/dbraw/zinc/41/29/32/1351412932.db2.gz YWXAIIOBTVAOHG-BDAKNGLRSA-N -1 1 329.345 2.199 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@H]1C[C@@H]1c1cccnc1 ZINC001607088899 1351412934 /nfs/dbraw/zinc/41/29/34/1351412934.db2.gz YWXAIIOBTVAOHG-BDAKNGLRSA-N -1 1 329.345 2.199 20 5 EEBDMM Cc1cc(C2CCN(c3nc(C)cc(C(=O)[O-])c3[N+](=O)[O-])CC2)[nH]n1 ZINC001607634469 1351529958 /nfs/dbraw/zinc/52/99/58/1351529958.db2.gz HYBFMPWEUMPHGH-UHFFFAOYSA-N -1 1 345.359 2.412 20 5 EEBDMM Cc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1[N+](=O)[O-] ZINC000175460334 773599880 /nfs/dbraw/zinc/59/98/80/773599880.db2.gz KPGFUYJTYZLNBT-VIFPVBQESA-N -1 1 346.299 2.403 20 5 EEBDMM Cc1ccc(N(C)CCN(C)C(=O)c2ncccc2[O-])c([N+](=O)[O-])c1 ZINC001105376194 781071012 /nfs/dbraw/zinc/07/10/12/781071012.db2.gz JJIMXNPIBXEPST-UHFFFAOYSA-N -1 1 344.371 2.212 20 5 EEBDMM COc1nc(Br)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000789415312 807985653 /nfs/dbraw/zinc/98/56/53/807985653.db2.gz QPRJJBANOVUJJU-UHFFFAOYSA-N -1 1 341.121 2.341 20 5 EEBDMM CC[C@]1(C(=O)[O-])CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001589604859 949233828 /nfs/dbraw/zinc/23/38/28/949233828.db2.gz IZIBEORRDVQCRU-PXAZEXFGSA-N -1 1 349.387 2.499 20 5 EEBDMM COc1cc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1F ZINC001594056687 958041360 /nfs/dbraw/zinc/04/13/60/958041360.db2.gz UWBROJWJWRLJSK-GXSJLCMTSA-N -1 1 326.324 2.285 20 5 EEBDMM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588557576 959069868 /nfs/dbraw/zinc/06/98/68/959069868.db2.gz JXQBIYUWMJMNCT-STQMWFEESA-N -1 1 349.387 2.499 20 5 EEBDMM CC(C)n1nccc1CN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001592169704 977067750 /nfs/dbraw/zinc/06/77/50/977067750.db2.gz PZRVXJYNSODECM-INIZCTEOSA-N -1 1 332.360 2.462 20 5 EEBDMM Cc1[nH]nc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001599968464 985958620 /nfs/dbraw/zinc/95/86/20/985958620.db2.gz WBYVCBVVMZKXGU-RYUDHWBXSA-N -1 1 344.327 2.057 20 5 EEBDMM O=C(NCc1nc(-c2ccccc2)c[nH]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000126525050 143750794 /nfs/dbraw/zinc/75/07/94/143750794.db2.gz HIJSHJMXWPEJKY-UHFFFAOYSA-N -1 1 339.311 2.016 20 5 EEBDMM O=C(Nc1cccc([O-])c1F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000129036842 292350982 /nfs/dbraw/zinc/35/09/82/292350982.db2.gz OLAHIXXKVXCHRR-UHFFFAOYSA-N -1 1 343.274 2.273 20 5 EEBDMM O=C(Nc1cccc(N2C(=O)CCCC2=O)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000352536569 162176832 /nfs/dbraw/zinc/17/68/32/162176832.db2.gz HKHRGFYIAXTKQN-UHFFFAOYSA-N -1 1 342.311 2.219 20 5 EEBDMM CN(C)[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1cccs1 ZINC000164005937 226035468 /nfs/dbraw/zinc/03/54/68/226035468.db2.gz SDUYMUFCFHVYBC-GFCCVEGCSA-N -1 1 335.385 2.395 20 5 EEBDMM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124156860 222383756 /nfs/dbraw/zinc/38/37/56/222383756.db2.gz QTBKDHOBSPWBLK-LLVKDONJSA-N -1 1 348.396 2.057 20 5 EEBDMM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1F ZINC000282236202 269474139 /nfs/dbraw/zinc/47/41/39/269474139.db2.gz CTHYTISNVVFSQO-UHFFFAOYSA-N -1 1 342.352 2.193 20 5 EEBDMM CS[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290681016 275229040 /nfs/dbraw/zinc/22/90/40/275229040.db2.gz HDOYQJPLVPRQHQ-LURJTMIESA-N -1 1 342.801 2.417 20 5 EEBDMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)O ZINC000293866544 293313697 /nfs/dbraw/zinc/31/36/97/293313697.db2.gz SJQASNUIIQXXCI-JTQLQIEISA-N -1 1 336.797 2.076 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CC[C@@H](CO)CC1 ZINC000161366633 311365307 /nfs/dbraw/zinc/36/53/07/311365307.db2.gz GBSNTMHAIZTHNX-MGCOHNPYSA-N -1 1 348.808 2.078 20 5 EEBDMM O=c1ccn(Cc2nc(-c3ccc([O-])cc3Cl)no2)cc1[N+](=O)[O-] ZINC000350816624 312346502 /nfs/dbraw/zinc/34/65/02/312346502.db2.gz PUAVEEPJHKAEKW-UHFFFAOYSA-N -1 1 348.702 2.214 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@@]2(C)CCCC[C@@H]2C)c([N+](=O)[O-])n1 ZINC000416520067 313244824 /nfs/dbraw/zinc/24/48/24/313244824.db2.gz WIBAIDZSXAGCRA-GWCFXTLKSA-N -1 1 330.410 2.058 20 5 EEBDMM COC(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436516447 314971151 /nfs/dbraw/zinc/97/11/51/314971151.db2.gz VXFUEZSRDYULRG-UHFFFAOYSA-N -1 1 332.268 2.045 20 5 EEBDMM Cc1[nH]nc(C(=O)Nc2cc(Br)ccc2[O-])c1[N+](=O)[O-] ZINC000436799790 314999452 /nfs/dbraw/zinc/99/94/52/314999452.db2.gz FQPPJQZJWFGQBI-UHFFFAOYSA-N -1 1 341.121 2.347 20 5 EEBDMM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)o1 ZINC000490603098 315805272 /nfs/dbraw/zinc/80/52/72/315805272.db2.gz RAYVEUDUVCKJLC-UHFFFAOYSA-N -1 1 345.402 2.302 20 5 EEBDMM CCc1cc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])on1 ZINC000524944547 317033646 /nfs/dbraw/zinc/03/36/46/317033646.db2.gz ZEMQCSKKNRRZFM-UHFFFAOYSA-N -1 1 339.373 2.241 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000525182936 317043052 /nfs/dbraw/zinc/04/30/52/317043052.db2.gz OUYGCBRYOFFPFU-GRYCIOLGSA-N -1 1 325.390 2.237 20 5 EEBDMM Nc1cccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000158301434 463224045 /nfs/dbraw/zinc/22/40/45/463224045.db2.gz JJRCAFSHLYIVML-UHFFFAOYSA-N -1 1 341.776 2.309 20 5 EEBDMM CCOCCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146890907 463389326 /nfs/dbraw/zinc/38/93/26/463389326.db2.gz YIZZANSUTPSMCT-UHFFFAOYSA-N -1 1 336.797 2.343 20 5 EEBDMM Cc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)o1 ZINC000124425555 463421122 /nfs/dbraw/zinc/42/11/22/463421122.db2.gz RJZNACRVRSYAQR-UHFFFAOYSA-N -1 1 345.764 2.332 20 5 EEBDMM CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000193728778 463733839 /nfs/dbraw/zinc/73/38/39/463733839.db2.gz LDORFXCGJQVGIV-CQSZACIVSA-N -1 1 331.328 2.203 20 5 EEBDMM COCCC(C)(C)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000185036721 463741246 /nfs/dbraw/zinc/74/12/46/463741246.db2.gz AZJTYINCGJSLIK-UHFFFAOYSA-N -1 1 334.369 2.075 20 5 EEBDMM CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1 ZINC000194739102 463920127 /nfs/dbraw/zinc/92/01/27/463920127.db2.gz LXMVSCROXMKVKX-HNNXBMFYSA-N -1 1 347.346 2.472 20 5 EEBDMM COCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000281101612 464333574 /nfs/dbraw/zinc/33/35/74/464333574.db2.gz FJSLFOLRCRZBAL-ZETCQYMHSA-N -1 1 340.760 2.091 20 5 EEBDMM CN(CCCOCc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000281351791 464424003 /nfs/dbraw/zinc/42/40/03/464424003.db2.gz KRXFYOWJWWVEEL-UHFFFAOYSA-N -1 1 345.355 2.374 20 5 EEBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000271993390 464438962 /nfs/dbraw/zinc/43/89/62/464438962.db2.gz BUJGSZOHUAOUOG-SKDRFNHKSA-N -1 1 348.808 2.484 20 5 EEBDMM O=C(NCCc1nc2ccccc2s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000362344996 465666658 /nfs/dbraw/zinc/66/66/58/465666658.db2.gz CGKXJEJZFFTYHO-UHFFFAOYSA-N -1 1 344.352 2.278 20 5 EEBDMM Cc1ccc(OCCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000303095866 466222106 /nfs/dbraw/zinc/22/21/06/466222106.db2.gz FSEMVDALNYGZDH-UHFFFAOYSA-N -1 1 331.328 2.203 20 5 EEBDMM O=C(NCC1CC1)[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000338929175 466494576 /nfs/dbraw/zinc/49/45/76/466494576.db2.gz LKHUMNIXACLAJG-CYBMUJFWSA-N -1 1 333.388 2.039 20 5 EEBDMM O=C(NC1CCC2(CCOCC2)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000370316652 466834507 /nfs/dbraw/zinc/83/45/07/466834507.db2.gz GBZLCLXNCRYPBW-UHFFFAOYSA-N -1 1 335.360 2.165 20 5 EEBDMM CCCn1ncc([N-]c2nccc(C(N)=O)c2[N+](=O)[O-])c1C1CC1 ZINC000450645480 467885736 /nfs/dbraw/zinc/88/57/36/467885736.db2.gz UPQJCUWTXHPANX-UHFFFAOYSA-N -1 1 330.348 2.316 20 5 EEBDMM CC(C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1(CO)CCCC1 ZINC000569824422 468550266 /nfs/dbraw/zinc/55/02/66/468550266.db2.gz HZFRVKIITMVUIX-ZDUSSCGKSA-N -1 1 337.376 2.003 20 5 EEBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@@H]1CC(=O)[O-] ZINC000593291062 468929961 /nfs/dbraw/zinc/92/99/61/468929961.db2.gz WVTOFAQQMVAAMD-GFCCVEGCSA-N -1 1 335.360 2.171 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC([C@H]2CCCCO2)CC1 ZINC000598774129 469000083 /nfs/dbraw/zinc/00/00/83/469000083.db2.gz YJMYMJQHVXXWSX-CQSZACIVSA-N -1 1 335.360 2.117 20 5 EEBDMM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(CCC(=O)[O-])CC1 ZINC000595883273 469061732 /nfs/dbraw/zinc/06/17/32/469061732.db2.gz WNSWZKANDKACGS-LBPRGKRZSA-N -1 1 349.387 2.499 20 5 EEBDMM COC(=O)c1cc(NC(=O)c2ccc([O-])c(F)c2)cc([N+](=O)[O-])c1 ZINC000613509602 469727178 /nfs/dbraw/zinc/72/71/78/469727178.db2.gz WLVATKFYQIMCSS-UHFFFAOYSA-N -1 1 334.259 2.478 20 5 EEBDMM COC(=O)c1cc([N-]C(=O)c2ncc(F)cc2F)cc([N+](=O)[O-])c1 ZINC000192329619 533890490 /nfs/dbraw/zinc/89/04/90/533890490.db2.gz YDHRUSWJIOVFIH-UHFFFAOYSA-N -1 1 337.238 2.307 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccccc2F)C1 ZINC000187068760 534768400 /nfs/dbraw/zinc/76/84/00/534768400.db2.gz DHWYUMJMFAOUPW-AWEZNQCLSA-N -1 1 347.302 2.048 20 5 EEBDMM C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769048819 577568061 /nfs/dbraw/zinc/56/80/61/577568061.db2.gz RXBSMGUKMBIBNG-PHIMTYICSA-N -1 1 336.344 2.247 20 5 EEBDMM CCC1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000761336052 577682178 /nfs/dbraw/zinc/68/21/78/577682178.db2.gz FVQAPXXZWKTTLX-UHFFFAOYSA-N -1 1 348.808 2.486 20 5 EEBDMM C[C@@H](CN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000736575758 578212526 /nfs/dbraw/zinc/21/25/26/578212526.db2.gz QJXAQFOYLRMZHG-IUCAKERBSA-N -1 1 343.767 2.228 20 5 EEBDMM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000826039439 604369372 /nfs/dbraw/zinc/36/93/72/604369372.db2.gz STNSSPWZGOOGCK-MEBBXXQBSA-N -1 1 344.323 2.492 20 5 EEBDMM CCc1ccccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821497438 606712193 /nfs/dbraw/zinc/71/21/93/606712193.db2.gz 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CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)s1 ZINC000015963508 1201451611 /nfs/dbraw/zinc/45/16/11/1201451611.db2.gz HWWACIKKTHRLBC-UHFFFAOYSA-N -1 1 337.317 2.478 20 5 EEBDMM COc1ccc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cn1 ZINC000800052488 1202202074 /nfs/dbraw/zinc/20/20/74/1202202074.db2.gz YVDZZIKTZBMTMZ-UHFFFAOYSA-N -1 1 341.320 2.247 20 5 EEBDMM COC(=O)c1ccc(C(=O)OCCCOc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000796370614 1213907839 /nfs/dbraw/zinc/90/78/39/1213907839.db2.gz YLKVVVSHNGFGCF-UHFFFAOYSA-N -1 1 348.311 2.335 20 5 EEBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cccc(-c3ccccn3)n2)no1 ZINC001212893884 1214389811 /nfs/dbraw/zinc/38/98/11/1214389811.db2.gz DBOFUFDNMHSHMT-UHFFFAOYSA-N -1 1 335.283 2.492 20 5 EEBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2cccc3c2OCO3)c1 ZINC000800928840 1234823853 /nfs/dbraw/zinc/82/38/53/1234823853.db2.gz UQDNTNFJNVSWCJ-UHFFFAOYSA-N -1 1 340.288 2.263 20 5 EEBDMM CCOC(=O)C[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228145079 1302124906 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ZINC001589152009 1348965891 /nfs/dbraw/zinc/96/58/91/1348965891.db2.gz ZNRFOVKRAQGQSB-UHFFFAOYSA-N -1 1 348.363 2.309 20 5 EEBDMM CC[C@H](C[C@H](C)CO)Nc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590424371 1349319576 /nfs/dbraw/zinc/31/95/76/1349319576.db2.gz HKCZDUGDLSJSRU-GXSJLCMTSA-N -1 1 334.380 2.292 20 5 EEBDMM CC[C@H](C[C@H](C)CO)Nc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590424371 1349319583 /nfs/dbraw/zinc/31/95/83/1349319583.db2.gz HKCZDUGDLSJSRU-GXSJLCMTSA-N -1 1 334.380 2.292 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@H](c2ccco2)C1 ZINC001593466922 1349803761 /nfs/dbraw/zinc/80/37/61/1349803761.db2.gz PNMZOCMKMCPHLN-JTQLQIEISA-N -1 1 326.316 2.362 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[C@H](c2ccco2)C1 ZINC001593466922 1349803784 /nfs/dbraw/zinc/80/37/84/1349803784.db2.gz PNMZOCMKMCPHLN-JTQLQIEISA-N -1 1 326.316 2.362 20 5 EEBDMM O=[N+]([O-])c1c(Nc2cccc(-n3ccnn3)c2)cccc1-c1nnn[n-]1 ZINC001593469420 1349804858 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EEBDMM O=C([O-])c1cc([N+](=O)[O-])c(NCCN2CCCOCC2)cc1Cl ZINC001602299984 1350488253 /nfs/dbraw/zinc/48/82/53/1350488253.db2.gz WTEOXFWECDLACM-UHFFFAOYSA-N -1 1 343.767 2.081 20 5 EEBDMM CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(C(=O)[O-])cn1 ZINC001606136325 1351277724 /nfs/dbraw/zinc/27/77/24/1351277724.db2.gz LNJPZUUBUQHPPK-UHFFFAOYSA-N -1 1 331.328 2.199 20 5 EEBDMM O=[N+]([O-])c1cnc(NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)s1 ZINC001607086579 1351412526 /nfs/dbraw/zinc/41/25/26/1351412526.db2.gz OZHUIUMIMOQFQI-UHFFFAOYSA-N -1 1 339.287 2.122 20 5 EEBDMM O=[N+]([O-])c1cnc(NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)s1 ZINC001607086579 1351412530 /nfs/dbraw/zinc/41/25/30/1351412530.db2.gz OZHUIUMIMOQFQI-UHFFFAOYSA-N -1 1 339.287 2.122 20 5 EEBDMM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815036120 1367798983 /nfs/dbraw/zinc/79/89/83/1367798983.db2.gz OOLYENOOSGKKGA-BQBZGAKWSA-N -1 1 340.760 2.089 20 5 EEBDMM CCC[C@H](CCO)CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590555792 1403886836 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CC(C)N(CCC(=O)[O-])Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001591589315 992798755 /nfs/dbraw/zinc/79/87/55/992798755.db2.gz JPPCTHHCINCIBD-UHFFFAOYSA-N -1 1 334.332 2.330 20 5 EEBDMM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000067432028 215144254 /nfs/dbraw/zinc/14/42/54/215144254.db2.gz OPBQZUCTUHWTTC-UHFFFAOYSA-N -1 1 346.286 2.491 20 5 EEBDMM O=C(N[C@H]1COc2cccc(Cl)c21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000356628816 284253186 /nfs/dbraw/zinc/25/31/86/284253186.db2.gz YPVQZGMUPFVRBW-JTQLQIEISA-N -1 1 335.703 2.212 20 5 EEBDMM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(Br)ccc1[O-] ZINC000129870627 292364717 /nfs/dbraw/zinc/36/47/17/292364717.db2.gz CKZQGOCZLLNVDI-UHFFFAOYSA-N -1 1 341.121 2.049 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@H]3C2)c([N+](=O)[O-])n1 ZINC000339040854 160823246 /nfs/dbraw/zinc/82/32/46/160823246.db2.gz FJNUDDWOLBDYMP-GRYCIOLGSA-N -1 1 342.421 2.058 20 5 EEBDMM C[C@]12CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C[C@H]1C2(Cl)Cl ZINC000288136193 275027644 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CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000331987610 311933298 /nfs/dbraw/zinc/93/32/98/311933298.db2.gz POEBNKPMXTZKHA-VXNVDRBHSA-N -1 1 349.206 2.434 20 5 EEBDMM CCN(CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-])CCC(F)(F)F ZINC000436810666 315000715 /nfs/dbraw/zinc/00/07/15/315000715.db2.gz OAYKAXLIYCOABL-UHFFFAOYSA-N -1 1 349.309 2.305 20 5 EEBDMM O=C(NCCN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436860499 315007265 /nfs/dbraw/zinc/00/72/65/315007265.db2.gz HBFLVNSOIVBRBN-UHFFFAOYSA-N -1 1 341.367 2.089 20 5 EEBDMM CS(=O)(=O)[N-]c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000439126675 315069084 /nfs/dbraw/zinc/06/90/84/315069084.db2.gz CYGMRAXUSCGHAZ-UHFFFAOYSA-N -1 1 327.293 2.293 20 5 EEBDMM CCOC(=O)CC1(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000560888539 318816960 /nfs/dbraw/zinc/81/69/60/318816960.db2.gz DDAJKTPOLTVAIL-UHFFFAOYSA-N -1 1 342.373 2.131 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-]CC(CC)(CC)CC)c([N+](=O)[O-])n1 ZINC000339042552 465046529 /nfs/dbraw/zinc/04/65/29/465046529.db2.gz LWQVDPCJRIIZHF-UHFFFAOYSA-N -1 1 332.426 2.306 20 5 EEBDMM CCCC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C1CCC1 ZINC000339043708 465046834 /nfs/dbraw/zinc/04/68/34/465046834.db2.gz ZJGFHILNXQJFFL-LBPRGKRZSA-N -1 1 344.437 2.448 20 5 EEBDMM CO[C@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296169564 465102640 /nfs/dbraw/zinc/10/26/40/465102640.db2.gz KWRNKXCAOPRYDN-ZCFIWIBFSA-N -1 1 343.188 2.215 20 5 EEBDMM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000063199185 462632566 /nfs/dbraw/zinc/63/25/66/462632566.db2.gz UDXLUCUHHKFJMD-UHFFFAOYSA-N -1 1 345.764 2.332 20 5 EEBDMM O=C(C=Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)Nc1nnn[n-]1 ZINC000135474060 463161843 /nfs/dbraw/zinc/16/18/43/463161843.db2.gz NKTCPUSJMIZBEF-SOFGYWHQSA-N -1 1 342.340 2.488 20 5 EEBDMM O=C(C=Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)Nc1nn[n-]n1 ZINC000135474060 463161845 /nfs/dbraw/zinc/16/18/45/463161845.db2.gz NKTCPUSJMIZBEF-SOFGYWHQSA-N -1 1 342.340 2.488 20 5 EEBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nc2ccc(F)cn2n1 ZINC000348295187 465536334 /nfs/dbraw/zinc/53/63/34/465536334.db2.gz VOXQUCRZFFCFLC-UHFFFAOYSA-N -1 1 345.290 2.428 20 5 EEBDMM COc1cccc(C2=CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)c1 ZINC000361001057 465693868 /nfs/dbraw/zinc/69/38/68/465693868.db2.gz YCKWSAFEAPGLCD-UHFFFAOYSA-N -1 1 341.323 2.243 20 5 EEBDMM Cc1nc(C)n(C[C@H]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)n1 ZINC000331737110 466225513 /nfs/dbraw/zinc/22/55/13/466225513.db2.gz UIVMEKSQRSWVJT-AWEZNQCLSA-N -1 1 345.403 2.421 20 5 EEBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000436504635 467542328 /nfs/dbraw/zinc/54/23/28/467542328.db2.gz LNHOCOWJYTZTKQ-UHFFFAOYSA-N -1 1 346.295 2.348 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCn1cccc1 ZINC000487131340 468024398 /nfs/dbraw/zinc/02/43/98/468024398.db2.gz BHVJWSQYDKXALV-UHFFFAOYSA-N -1 1 329.765 2.028 20 5 EEBDMM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000531169873 468033417 /nfs/dbraw/zinc/03/34/17/468033417.db2.gz JYOGAGQFJFETED-WDEREUQCSA-N -1 1 345.446 2.332 20 5 EEBDMM C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1C(=O)[O-] ZINC000593748554 469122105 /nfs/dbraw/zinc/12/21/05/469122105.db2.gz QPGSJABLSOWDED-GWCFXTLKSA-N -1 1 346.343 2.187 20 5 EEBDMM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc2N(C)C1=O ZINC000610208909 469987186 /nfs/dbraw/zinc/98/71/86/469987186.db2.gz DFNKXLYHNMVABJ-SNVBAGLBSA-N -1 1 328.328 2.182 20 5 EEBDMM CCO[C@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C12CCCC2 ZINC000187150967 528140596 /nfs/dbraw/zinc/14/05/96/528140596.db2.gz TZGKZTLOJAZTOZ-STQMWFEESA-N -1 1 335.360 2.163 20 5 EEBDMM CCc1cnccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768887346 577565096 /nfs/dbraw/zinc/56/50/96/577565096.db2.gz IFMDXNBMQNTILA-UHFFFAOYSA-N -1 1 327.387 2.092 20 5 EEBDMM CC(C)n1cc2c(n1)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CCC2 ZINC000770732120 577602613 /nfs/dbraw/zinc/60/26/13/577602613.db2.gz MTXPSYHXORQFEL-GFCCVEGCSA-N -1 1 345.359 2.280 20 5 EEBDMM O=C([O-])c1cc([N+](=O)[O-])c(N2CCN(CC3CC3)CC2)cc1Cl ZINC000740098775 578080750 /nfs/dbraw/zinc/08/07/50/578080750.db2.gz YZIWYSHGVADSFA-UHFFFAOYSA-N -1 1 339.779 2.478 20 5 EEBDMM CC[C@@](C)(CC(=O)[O-])NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000828673008 601557986 /nfs/dbraw/zinc/55/79/86/601557986.db2.gz YVKYFEQANBFDHU-HNNXBMFYSA-N -1 1 334.332 2.378 20 5 EEBDMM O=[N+]([O-])c1ccccc1CN(c1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC000826500402 607562715 /nfs/dbraw/zinc/56/27/15/607562715.db2.gz XHFNBDFZYZHMKK-UHFFFAOYSA-N -1 1 337.343 2.339 20 5 EEBDMM O=[N+]([O-])c1ccccc1CN(c1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC000826500402 607562717 /nfs/dbraw/zinc/56/27/17/607562717.db2.gz XHFNBDFZYZHMKK-UHFFFAOYSA-N -1 1 337.343 2.339 20 5 EEBDMM O=[N+]([O-])c1c(NCC2CC2)cc(NCC2CC2)cc1-c1nnn[n-]1 ZINC000823630496 606447984 /nfs/dbraw/zinc/44/79/84/606447984.db2.gz YLJSUGDCYIIZEP-UHFFFAOYSA-N -1 1 329.364 2.419 20 5 EEBDMM O=[N+]([O-])c1c(NCC2CC2)cc(NCC2CC2)cc1-c1nn[n-]n1 ZINC000823630496 606447986 /nfs/dbraw/zinc/44/79/86/606447986.db2.gz YLJSUGDCYIIZEP-UHFFFAOYSA-N -1 1 329.364 2.419 20 5 EEBDMM CC(C)C[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820067220 606719083 /nfs/dbraw/zinc/71/90/83/606719083.db2.gz GRGBGZCCILFQFM-NSHDSACASA-N -1 1 331.380 2.432 20 5 EEBDMM CC(C)C[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820067220 606719084 /nfs/dbraw/zinc/71/90/84/606719084.db2.gz GRGBGZCCILFQFM-NSHDSACASA-N -1 1 331.380 2.432 20 5 EEBDMM COCc1cccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821695672 607167108 /nfs/dbraw/zinc/16/71/08/607167108.db2.gz CFWWOYNJQYBEOP-UHFFFAOYSA-N -1 1 327.304 2.060 20 5 EEBDMM COCc1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821695672 607167109 /nfs/dbraw/zinc/16/71/09/607167109.db2.gz CFWWOYNJQYBEOP-UHFFFAOYSA-N -1 1 327.304 2.060 20 5 EEBDMM O=[N+]([O-])c1c(Oc2cccc(F)c2-c2nnn[n-]2)nc2ccccn21 ZINC000826497280 607867465 /nfs/dbraw/zinc/86/74/65/607867465.db2.gz AVAFKWIYDZVYHD-UHFFFAOYSA-N -1 1 341.262 2.354 20 5 EEBDMM O=[N+]([O-])c1c(Oc2cccc(F)c2-c2nn[n-]n2)nc2ccccn21 ZINC000826497280 607867466 /nfs/dbraw/zinc/86/74/66/607867466.db2.gz AVAFKWIYDZVYHD-UHFFFAOYSA-N -1 1 341.262 2.354 20 5 EEBDMM C[C@H]1CC[C@]2(CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)C1 ZINC000824917895 609390045 /nfs/dbraw/zinc/39/00/45/609390045.db2.gz OXJARCUUDPCXQQ-BONVTDFDSA-N -1 1 329.364 2.186 20 5 EEBDMM C[C@H]1CC[C@]2(CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)C1 ZINC000824917895 609390047 /nfs/dbraw/zinc/39/00/47/609390047.db2.gz OXJARCUUDPCXQQ-BONVTDFDSA-N -1 1 329.364 2.186 20 5 EEBDMM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119763584 1229595851 /nfs/dbraw/zinc/59/58/51/1229595851.db2.gz JPABVRVFHYGFJG-SSDOTTSWSA-N -1 1 331.375 2.301 20 5 EEBDMM O=C(OCc1nc(-c2ccco2)no1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074509 1236588373 /nfs/dbraw/zinc/58/83/73/1236588373.db2.gz FHOUVRHERCINNW-UHFFFAOYSA-N -1 1 331.240 2.300 20 5 EEBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(OC[C@H]3COCO3)c12 ZINC001234741650 1305016373 /nfs/dbraw/zinc/01/63/73/1305016373.db2.gz KCKAKSJVOAWRBA-SNVBAGLBSA-N -1 1 330.292 2.109 20 5 EEBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(O[C@@H]3COC[C@H]3F)c12 ZINC001234749395 1305019230 /nfs/dbraw/zinc/01/92/30/1305019230.db2.gz ZUSSTLGHVJGHJO-QMTHXVAHSA-N -1 1 332.283 2.473 20 5 EEBDMM COC(=O)c1nc(Cl)nc([N-]C2(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC001160821026 1320277265 /nfs/dbraw/zinc/27/72/65/1320277265.db2.gz CGVGMCZTGHFYQY-UHFFFAOYSA-N -1 1 340.645 2.332 20 5 EEBDMM COC(=O)c1cnc([N-]c2ccccc2[N+](=O)[O-])c(C(=O)OC)c1 ZINC001206157861 1323408875 /nfs/dbraw/zinc/40/88/75/1323408875.db2.gz GUGIKUSINSVNSE-UHFFFAOYSA-N -1 1 331.284 2.307 20 5 EEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(n3ccnc3)CC2)c1 ZINC001608914184 1351792582 /nfs/dbraw/zinc/79/25/82/1351792582.db2.gz DKRNJHNPODKBHK-UHFFFAOYSA-N -1 1 330.344 2.327 20 5 EEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(n3cccn3)CC2)c1 ZINC001608914500 1351792954 /nfs/dbraw/zinc/79/29/54/1351792954.db2.gz UEAKCDBPEDTLDT-UHFFFAOYSA-N -1 1 330.344 2.327 20 5 EEBDMM CCc1nc(CN(C)c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cs1 ZINC001609254711 1351911355 /nfs/dbraw/zinc/91/13/55/1351911355.db2.gz WYSQFNLGXAKMRS-UHFFFAOYSA-N -1 1 345.388 2.430 20 5 EEBDMM CC[C@@H](C)C[C@@H](CO)Nc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590406433 1349307004 /nfs/dbraw/zinc/30/70/04/1349307004.db2.gz OCABLSDREUAFPV-SKDRFNHKSA-N -1 1 334.380 2.292 20 5 EEBDMM CC[C@@H](C)C[C@@H](CO)Nc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590406433 1349307009 /nfs/dbraw/zinc/30/70/09/1349307009.db2.gz OCABLSDREUAFPV-SKDRFNHKSA-N -1 1 334.380 2.292 20 5 EEBDMM Cc1cc(NC[C@H]2CC(C)(C)CO2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592043410 1349587148 /nfs/dbraw/zinc/58/71/48/1349587148.db2.gz FUDNIIMFYHFOMN-LLVKDONJSA-N -1 1 332.364 2.310 20 5 EEBDMM Cc1cc(NC[C@H]2CC(C)(C)CO2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592043410 1349587151 /nfs/dbraw/zinc/58/71/51/1349587151.db2.gz FUDNIIMFYHFOMN-LLVKDONJSA-N -1 1 332.364 2.310 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCc2c(F)cccc2C1 ZINC001593465583 1349801987 /nfs/dbraw/zinc/80/19/87/1349801987.db2.gz FQYVSTPIMTUZMP-UHFFFAOYSA-N -1 1 340.318 2.477 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCc2c(F)cccc2C1 ZINC001593465583 1349801995 /nfs/dbraw/zinc/80/19/95/1349801995.db2.gz FQYVSTPIMTUZMP-UHFFFAOYSA-N -1 1 340.318 2.477 20 5 EEBDMM O=[N+]([O-])c1c(NCCCc2nccs2)cccc1-c1nnn[n-]1 ZINC001593465072 1349802225 /nfs/dbraw/zinc/80/22/25/1349802225.db2.gz HRRQQCOTLSBHLO-UHFFFAOYSA-N -1 1 331.361 2.276 20 5 EEBDMM O=[N+]([O-])c1c(NCCCc2nccs2)cccc1-c1nn[n-]n1 ZINC001593465072 1349802231 /nfs/dbraw/zinc/80/22/31/1349802231.db2.gz HRRQQCOTLSBHLO-UHFFFAOYSA-N -1 1 331.361 2.276 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cccc2cc[nH]c21 ZINC001593465128 1349802831 /nfs/dbraw/zinc/80/28/31/1349802831.db2.gz DLQPIKFQLBSKJS-UHFFFAOYSA-N -1 1 336.315 2.263 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cccc2cc[nH]c21 ZINC001593465128 1349802835 /nfs/dbraw/zinc/80/28/35/1349802835.db2.gz DLQPIKFQLBSKJS-UHFFFAOYSA-N -1 1 336.315 2.263 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@@H](c2cccnc2)C1 ZINC001593465810 1349803683 /nfs/dbraw/zinc/80/36/83/1349803683.db2.gz AJOHZKATVYAROQ-GFCCVEGCSA-N -1 1 337.343 2.164 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[C@@H](c2cccnc2)C1 ZINC001593465810 1349803685 /nfs/dbraw/zinc/80/36/85/1349803685.db2.gz AJOHZKATVYAROQ-GFCCVEGCSA-N -1 1 337.343 2.164 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCc2cc(O)ccc2C1 ZINC001593487798 1349816369 /nfs/dbraw/zinc/81/63/69/1349816369.db2.gz MJAGAFXDJCJWGX-UHFFFAOYSA-N -1 1 344.356 2.105 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCc2cc(O)ccc2C1 ZINC001593487798 1349816371 /nfs/dbraw/zinc/81/63/71/1349816371.db2.gz MJAGAFXDJCJWGX-UHFFFAOYSA-N -1 1 344.356 2.105 20 5 EEBDMM CCOC[C@H]1CCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001604420586 1350934852 /nfs/dbraw/zinc/93/48/52/1350934852.db2.gz BEGZUPVCAOCBRB-VIFPVBQESA-N -1 1 338.393 2.089 20 5 EEBDMM CCOC[C@H]1CCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001604420586 1350934854 /nfs/dbraw/zinc/93/48/54/1350934854.db2.gz BEGZUPVCAOCBRB-VIFPVBQESA-N -1 1 338.393 2.089 20 5 EEBDMM CN(C[C@]12CCC[C@H]1OCC2)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604794221 1351006069 /nfs/dbraw/zinc/00/60/69/1351006069.db2.gz FZANTIDCNAJLHY-CZUORRHYSA-N -1 1 344.375 2.170 20 5 EEBDMM CN(C[C@]12CCC[C@H]1OCC2)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604794221 1351006072 /nfs/dbraw/zinc/00/60/72/1351006072.db2.gz FZANTIDCNAJLHY-CZUORRHYSA-N -1 1 344.375 2.170 20 5 EEBDMM CO[C@H]1C[C@H](Nc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1(C)C ZINC001605024740 1351058869 /nfs/dbraw/zinc/05/88/69/1351058869.db2.gz NSAZLWONFGZUKD-RYUDHWBXSA-N -1 1 332.364 2.309 20 5 EEBDMM CO[C@H]1C[C@H](Nc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1(C)C ZINC001605024740 1351058874 /nfs/dbraw/zinc/05/88/74/1351058874.db2.gz NSAZLWONFGZUKD-RYUDHWBXSA-N -1 1 332.364 2.309 20 5 EEBDMM COc1cc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)ccn1 ZINC001607163934 1351441129 /nfs/dbraw/zinc/44/11/29/1351441129.db2.gz LTWPYSMBFUJNEM-INIZCTEOSA-N -1 1 331.328 2.088 20 5 EEBDMM COc1ccc(CN[C@@](C)(CC(=O)[O-])c2ccccn2)cc1[N+](=O)[O-] ZINC001607258680 1351460153 /nfs/dbraw/zinc/46/01/53/1351460153.db2.gz GYSGFEVJKFCKQE-KRWDZBQOSA-N -1 1 345.355 2.478 20 5 EEBDMM C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000780868062 760724836 /nfs/dbraw/zinc/72/48/36/760724836.db2.gz QBCKIPMWAJIGIN-JTQLQIEISA-N -1 1 347.824 2.011 20 5 EEBDMM COCc1cccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000171331430 791336379 /nfs/dbraw/zinc/33/63/79/791336379.db2.gz RJFZABHCSFXGAM-UHFFFAOYSA-N -1 1 337.357 2.124 20 5 EEBDMM O=C([O-])C[C@@H]1CCCCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001594986826 951018333 /nfs/dbraw/zinc/01/83/33/951018333.db2.gz DCAURWDMIQCEOS-NSHDSACASA-N -1 1 346.343 2.474 20 5 EEBDMM COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC001593887225 955759815 /nfs/dbraw/zinc/75/98/15/955759815.db2.gz NATOWJMSBDOHFC-JQWIXIFHSA-N -1 1 336.344 2.067 20 5 EEBDMM C[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1C(=O)[O-] ZINC001599931558 985325341 /nfs/dbraw/zinc/32/53/41/985325341.db2.gz ZRZAABVIEIDKHO-GXFFZTMASA-N -1 1 346.343 2.187 20 5 EEBDMM O=C([N-]CC1CCN(c2ccccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000282031109 292804746 /nfs/dbraw/zinc/80/47/46/292804746.db2.gz YDIHLBHKGWIAHS-UHFFFAOYSA-N -1 1 331.294 2.490 20 5 EEBDMM COc1cccc(NC(=O)Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000350675475 312337861 /nfs/dbraw/zinc/33/78/61/312337861.db2.gz AEUJSVKDCCROPP-UHFFFAOYSA-N -1 1 343.299 2.163 20 5 EEBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC(F)F ZINC000414453359 313024219 /nfs/dbraw/zinc/02/42/19/313024219.db2.gz OTNSHQQHBDINEN-UHFFFAOYSA-N -1 1 334.222 2.157 20 5 EEBDMM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000437265541 315032825 /nfs/dbraw/zinc/03/28/25/315032825.db2.gz IHMVDNHRYIECQI-LDYMZIIASA-N -1 1 335.266 2.260 20 5 EEBDMM O=C(Nc1nnn[n-]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000076963459 462927640 /nfs/dbraw/zinc/92/76/40/462927640.db2.gz VRHXSBXUKVULGJ-UHFFFAOYSA-N -1 1 325.288 2.104 20 5 EEBDMM O=C(Nc1nn[n-]n1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000076963459 462927644 /nfs/dbraw/zinc/92/76/44/462927644.db2.gz VRHXSBXUKVULGJ-UHFFFAOYSA-N -1 1 325.288 2.104 20 5 EEBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(SC)ns1 ZINC000348102630 465424392 /nfs/dbraw/zinc/42/43/92/465424392.db2.gz AMVWXWPHKIAVOX-UHFFFAOYSA-N -1 1 326.359 2.429 20 5 EEBDMM Cc1cc([C@H]2CCCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000283695297 463975614 /nfs/dbraw/zinc/97/56/14/463975614.db2.gz XMOWSHWZMHOEJF-NSHDSACASA-N -1 1 330.344 2.352 20 5 EEBDMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000188084095 464195589 /nfs/dbraw/zinc/19/55/89/464195589.db2.gz KOJXDRYIIKURPI-VIFPVBQESA-N -1 1 348.384 2.360 20 5 EEBDMM Cc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)sc1C ZINC000173227395 464215734 /nfs/dbraw/zinc/21/57/34/464215734.db2.gz MCVFBKLNUJHSSH-UHFFFAOYSA-N -1 1 345.377 2.286 20 5 EEBDMM C[C@@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000181808289 464529129 /nfs/dbraw/zinc/52/91/29/464529129.db2.gz VXSHSZOLBHMKMB-SECBINFHSA-N -1 1 341.327 2.073 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000268016527 464947260 /nfs/dbraw/zinc/94/72/60/464947260.db2.gz IYDKQWLGIAFVAR-LLVKDONJSA-N -1 1 331.303 2.464 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1COc1ccccc1 ZINC000373116662 466698116 /nfs/dbraw/zinc/69/81/16/466698116.db2.gz YJFWUZVVKYFEME-ZDUSSCGKSA-N -1 1 343.339 2.379 20 5 EEBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1N1CCOC1=O ZINC000493139682 467848506 /nfs/dbraw/zinc/84/85/06/467848506.db2.gz SOELNOWNLHEEHS-UHFFFAOYSA-N -1 1 330.300 2.440 20 5 EEBDMM Cn1[n-]cc2c(=NC(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])ccnc1-2 ZINC000493151908 467850693 /nfs/dbraw/zinc/85/06/93/467850693.db2.gz KKYBSGCNOVHTAK-VXOSQPKNSA-N -1 1 341.302 2.041 20 5 EEBDMM O=C([O-])C[C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000532880956 468147765 /nfs/dbraw/zinc/14/77/65/468147765.db2.gz GCMBVDMHGLRRAW-NSHDSACASA-N -1 1 346.343 2.332 20 5 EEBDMM O=C([O-])C[C@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000567742686 468200772 /nfs/dbraw/zinc/20/07/72/468200772.db2.gz QHUTZQHRYNMIHT-LLVKDONJSA-N -1 1 332.316 2.084 20 5 EEBDMM O=C([O-])C[C@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000567742686 468200776 /nfs/dbraw/zinc/20/07/76/468200776.db2.gz QHUTZQHRYNMIHT-LLVKDONJSA-N -1 1 332.316 2.084 20 5 EEBDMM CCc1[nH]nc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1[N+](=O)[O-] ZINC000551870022 468261970 /nfs/dbraw/zinc/26/19/70/468261970.db2.gz YCGCMKYBUZMTOK-UHFFFAOYSA-N -1 1 342.315 2.228 20 5 EEBDMM CO[C@]1(C(=O)[O-])CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000600676316 468617567 /nfs/dbraw/zinc/61/75/67/468617567.db2.gz QWQYRHIMPSSTER-MRXNPFEDSA-N -1 1 338.360 2.058 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1ccccc1Cl ZINC000610263530 469996573 /nfs/dbraw/zinc/99/65/73/469996573.db2.gz BIQOLZOUYOBFPX-UHFFFAOYSA-N -1 1 341.776 2.164 20 5 EEBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000132995548 533965517 /nfs/dbraw/zinc/96/55/17/533965517.db2.gz BMNUPOJYADRRPV-VIFPVBQESA-N -1 1 348.808 2.342 20 5 EEBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1cccc(F)c1 ZINC000769046770 577567955 /nfs/dbraw/zinc/56/79/55/577567955.db2.gz ICBGEHBCYBPHCW-UHFFFAOYSA-N -1 1 334.259 2.235 20 5 EEBDMM C[C@@H]1C[C@H]1Nc1cc(N[C@H]2C[C@H]2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820674712 599520823 /nfs/dbraw/zinc/52/08/23/599520823.db2.gz GHVPPYVFSIPUJJ-VZJNWSLWSA-N -1 1 329.364 2.416 20 5 EEBDMM C[C@@H]1C[C@H]1Nc1cc(N[C@H]2C[C@H]2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820674712 599520825 /nfs/dbraw/zinc/52/08/25/599520825.db2.gz GHVPPYVFSIPUJJ-VZJNWSLWSA-N -1 1 329.364 2.416 20 5 EEBDMM CC[C@@](C)(CC(=O)[O-])NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000828671993 601557193 /nfs/dbraw/zinc/55/71/93/601557193.db2.gz JXQBFEYEPCNOEA-HNNXBMFYSA-N -1 1 334.332 2.378 20 5 EEBDMM O=C([O-])[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000833193595 604467664 /nfs/dbraw/zinc/46/76/64/604467664.db2.gz DZSDMKWIXDLMAN-MRXNPFEDSA-N -1 1 328.324 2.312 20 5 EEBDMM O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000833193595 604467667 /nfs/dbraw/zinc/46/76/67/604467667.db2.gz DZSDMKWIXDLMAN-MRXNPFEDSA-N -1 1 328.324 2.312 20 5 EEBDMM Cc1c(OC(=O)c2ccc(-c3nnn[n-]3)s2)cccc1[N+](=O)[O-] ZINC000822130177 606515302 /nfs/dbraw/zinc/51/53/02/606515302.db2.gz QECXGGKGKNYCJP-UHFFFAOYSA-N -1 1 331.313 2.364 20 5 EEBDMM Cc1c(OC(=O)c2ccc(-c3nn[n-]n3)s2)cccc1[N+](=O)[O-] ZINC000822130177 606515303 /nfs/dbraw/zinc/51/53/03/606515303.db2.gz QECXGGKGKNYCJP-UHFFFAOYSA-N -1 1 331.313 2.364 20 5 EEBDMM COCc1ccc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821695903 606715498 /nfs/dbraw/zinc/71/54/98/606715498.db2.gz MQXKALZHYOBXOB-UHFFFAOYSA-N -1 1 344.356 2.468 20 5 EEBDMM COCc1ccc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821695903 606715499 /nfs/dbraw/zinc/71/54/99/606715499.db2.gz MQXKALZHYOBXOB-UHFFFAOYSA-N -1 1 344.356 2.468 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)c(CNCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000823640107 606772887 /nfs/dbraw/zinc/77/28/87/606772887.db2.gz SQIJOCKGVREJHV-UHFFFAOYSA-N -1 1 334.723 2.311 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)c(CNCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000823640107 606772888 /nfs/dbraw/zinc/77/28/88/606772888.db2.gz SQIJOCKGVREJHV-UHFFFAOYSA-N -1 1 334.723 2.311 20 5 EEBDMM CCc1cnccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000778655869 1208314894 /nfs/dbraw/zinc/31/48/94/1208314894.db2.gz WVMDSANQLWENEO-UHFFFAOYSA-N -1 1 339.348 2.170 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1cccnc1 ZINC000101570380 1283408519 /nfs/dbraw/zinc/40/85/19/1283408519.db2.gz HPNPKTIKEFRDNQ-UHFFFAOYSA-N -1 1 341.776 2.164 20 5 EEBDMM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000841560288 1315577558 /nfs/dbraw/zinc/57/75/58/1315577558.db2.gz LKLWCMITVWMALU-BBBLOLIVSA-N -1 1 348.808 2.340 20 5 EEBDMM O=C([O-])c1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(F)c1 ZINC001608881620 1351785462 /nfs/dbraw/zinc/78/54/62/1351785462.db2.gz ILCLFRHCHFQUDO-UHFFFAOYSA-N -1 1 348.334 2.466 20 5 EEBDMM CC[C@@](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC001609929081 1352122398 /nfs/dbraw/zinc/12/23/98/1352122398.db2.gz OLNCBKCVSREENR-KRWDZBQOSA-N -1 1 344.323 2.420 20 5 EEBDMM CC[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC001590471309 1349345561 /nfs/dbraw/zinc/34/55/61/1349345561.db2.gz BMVYOJYLCFMVDG-XVKPBYJWSA-N -1 1 326.382 2.044 20 5 EEBDMM CC[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC001590471309 1349345568 /nfs/dbraw/zinc/34/55/68/1349345568.db2.gz BMVYOJYLCFMVDG-XVKPBYJWSA-N -1 1 326.382 2.044 20 5 EEBDMM CCn1ccnc1[C@H](C)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590960852 1349424616 /nfs/dbraw/zinc/42/46/16/1349424616.db2.gz ODSNJPOBMFEHJW-VIFPVBQESA-N -1 1 328.336 2.164 20 5 EEBDMM CCn1ccnc1[C@H](C)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590960852 1349424618 /nfs/dbraw/zinc/42/46/18/1349424618.db2.gz ODSNJPOBMFEHJW-VIFPVBQESA-N -1 1 328.336 2.164 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC[C@@H]1CCC2(CCC2)O1 ZINC001593489108 1349816949 /nfs/dbraw/zinc/81/69/49/1349816949.db2.gz WCGRDZCMMPTSLM-QMMMGPOBSA-N -1 1 336.377 2.350 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC[C@@H]1CCC2(CCC2)O1 ZINC001593489108 1349816953 /nfs/dbraw/zinc/81/69/53/1349816953.db2.gz WCGRDZCMMPTSLM-QMMMGPOBSA-N -1 1 336.377 2.350 20 5 EEBDMM Cc1nn(CN2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC001600788705 1350137604 /nfs/dbraw/zinc/13/76/04/1350137604.db2.gz DGQZTVHTSVDWJZ-HUUCEWRRSA-N -1 1 344.371 2.166 20 5 EEBDMM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 ZINC001602420188 1350515014 /nfs/dbraw/zinc/51/50/14/1350515014.db2.gz YJGZQVMMFQCHPJ-UHFFFAOYSA-N -1 1 328.280 2.155 20 5 EEBDMM CC(C)(C)O[C@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001603104555 1350641387 /nfs/dbraw/zinc/64/13/87/1350641387.db2.gz MJIACUMFBPCZLC-WAAGHKOSSA-N -1 1 347.379 2.115 20 5 EEBDMM CC(C)(C)O[C@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001603104555 1350641392 /nfs/dbraw/zinc/64/13/92/1350641392.db2.gz MJIACUMFBPCZLC-WAAGHKOSSA-N -1 1 347.379 2.115 20 5 EEBDMM CC(C)[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC001603230821 1350666562 /nfs/dbraw/zinc/66/65/62/1350666562.db2.gz BAHLOWVIPOJSGG-AWEZNQCLSA-N -1 1 342.363 2.318 20 5 EEBDMM CC(C)c1nnc([C@H](C)Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[nH]1 ZINC001603411986 1350702201 /nfs/dbraw/zinc/70/22/01/1350702201.db2.gz CRFGRMGSOIEKCN-LURJTMIESA-N -1 1 349.380 2.251 20 5 EEBDMM CCOC1CC2(C1)CCN(c1ccc(-c3nn[n-]n3)c([N+](=O)[O-])c1)C2 ZINC001604412810 1350933036 /nfs/dbraw/zinc/93/30/36/1350933036.db2.gz ZFRHJQKUFPHDFH-UHFFFAOYSA-N -1 1 344.375 2.170 20 5 EEBDMM Cc1ccc([C@H](C)N[C@@H]2CCCN(CCC(=O)[O-])C2=O)cc1[N+](=O)[O-] ZINC001607751877 1351552176 /nfs/dbraw/zinc/55/21/76/1351552176.db2.gz LOQKXVHDHOMWQM-GXTWGEPZSA-N -1 1 349.387 2.020 20 5 EEBDMM Cc1ccc(CN2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)cc1[N+](=O)[O-] ZINC001607780486 1351557230 /nfs/dbraw/zinc/55/72/30/1351557230.db2.gz GLMGHJSHXVTBRZ-ZDUSSCGKSA-N -1 1 345.359 2.030 20 5 EEBDMM O=C([O-])C1CC2(C1)CC[C@H](CNCc1csc([N+](=O)[O-])c1)O2 ZINC001594906478 954680596 /nfs/dbraw/zinc/68/05/96/954680596.db2.gz CBWDSHYEARHIPF-IQLKVPPVSA-N -1 1 326.374 2.158 20 5 EEBDMM CC(C)n1c(CNC(=O)Cc2ccccc2[N+](=O)[O-])n[n-]c1=S ZINC000066639226 215062228 /nfs/dbraw/zinc/06/22/28/215062228.db2.gz MRMBRCJHFREYRP-UHFFFAOYSA-N -1 1 335.389 2.289 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000264266001 246263147 /nfs/dbraw/zinc/26/31/47/246263147.db2.gz KIGCTJFIQIYWOH-LLVKDONJSA-N -1 1 331.303 2.464 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000268016529 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O=[N+]([O-])c1c(Oc2cccc(F)c2-c2nn[n-]n2)nc2sccn21 ZINC000826497368 607867335 /nfs/dbraw/zinc/86/73/35/607867335.db2.gz FEEUZFRJNXLTLO-UHFFFAOYSA-N -1 1 347.291 2.416 20 5 EEBDMM Cc1c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cccc1[N+](=O)[O-] ZINC000826234949 607998029 /nfs/dbraw/zinc/99/80/29/607998029.db2.gz WBWULWQRFUWVCE-UHFFFAOYSA-N -1 1 340.299 2.041 20 5 EEBDMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1[N+](=O)[O-] ZINC000824514956 608433456 /nfs/dbraw/zinc/43/34/56/608433456.db2.gz QGXPHXWCXCECHY-MRVPVSSYSA-N -1 1 344.356 2.327 20 5 EEBDMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1[N+](=O)[O-] ZINC000824514956 608433459 /nfs/dbraw/zinc/43/34/59/608433459.db2.gz QGXPHXWCXCECHY-MRVPVSSYSA-N -1 1 344.356 2.327 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccco1 ZINC000119302105 683544587 /nfs/dbraw/zinc/54/45/87/683544587.db2.gz QTTNNWIKGBFXQI-UHFFFAOYSA-N -1 1 330.749 2.362 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C2CCOCC2)cc1F ZINC000866965517 689712565 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CC(C)CO[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001589640158 1349014805 /nfs/dbraw/zinc/01/48/05/1349014805.db2.gz BKPLNQTYTMXTDN-LBPRGKRZSA-N -1 1 332.364 2.026 20 5 EEBDMM CC[C@@H](C)C[C@H](CO)Nc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590406430 1349307266 /nfs/dbraw/zinc/30/72/66/1349307266.db2.gz OCABLSDREUAFPV-BXKDBHETSA-N -1 1 334.380 2.292 20 5 EEBDMM CC[C@@H](C)C[C@H](CO)Nc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590406430 1349307269 /nfs/dbraw/zinc/30/72/69/1349307269.db2.gz OCABLSDREUAFPV-BXKDBHETSA-N -1 1 334.380 2.292 20 5 EEBDMM CCn1ccnc1[C@@H](C)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590960850 1349425739 /nfs/dbraw/zinc/42/57/39/1349425739.db2.gz ODSNJPOBMFEHJW-SECBINFHSA-N -1 1 328.336 2.164 20 5 EEBDMM CCn1ccnc1[C@@H](C)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590960850 1349425742 /nfs/dbraw/zinc/42/57/42/1349425742.db2.gz ODSNJPOBMFEHJW-SECBINFHSA-N -1 1 328.336 2.164 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC(Cc2ccccc2)C1 ZINC001593467067 1349804139 /nfs/dbraw/zinc/80/41/39/1349804139.db2.gz RGBXWZANRPGYGJ-UHFFFAOYSA-N -1 1 336.355 2.454 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC(Cc2ccccc2)C1 ZINC001593467067 1349804142 /nfs/dbraw/zinc/80/41/42/1349804142.db2.gz RGBXWZANRPGYGJ-UHFFFAOYSA-N -1 1 336.355 2.454 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CC[C@@H](c3nccs3)C2)cc1-c1nnn[n-]1 ZINC001593476633 1349810311 /nfs/dbraw/zinc/81/03/11/1349810311.db2.gz SUNFXVMHUOANHA-SECBINFHSA-N -1 1 343.372 2.225 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CC[C@@H](c3nccs3)C2)cc1-c1nn[n-]n1 ZINC001593476633 1349810317 /nfs/dbraw/zinc/81/03/17/1349810317.db2.gz SUNFXVMHUOANHA-SECBINFHSA-N -1 1 343.372 2.225 20 5 EEBDMM O=[N+]([O-])c1ccc(OCc2nc(-c3nnn[n-]3)cs2)c(F)c1F ZINC001593481774 1349812656 /nfs/dbraw/zinc/81/26/56/1349812656.db2.gz IANQEKRISKPBFO-UHFFFAOYSA-N -1 1 340.271 2.089 20 5 EEBDMM O=[N+]([O-])c1ccc(OCc2nc(-c3nn[n-]n3)cs2)c(F)c1F ZINC001593481774 1349812660 /nfs/dbraw/zinc/81/26/60/1349812660.db2.gz 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CCCc1nc(C)c(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])o1 ZINC001604246313 1350901326 /nfs/dbraw/zinc/90/13/26/1350901326.db2.gz FURPEPKJZGSQBM-UHFFFAOYSA-N -1 1 344.335 2.031 20 5 EEBDMM CCCc1nc(C)c(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])o1 ZINC001604246313 1350901328 /nfs/dbraw/zinc/90/13/28/1350901328.db2.gz FURPEPKJZGSQBM-UHFFFAOYSA-N -1 1 344.335 2.031 20 5 EEBDMM CC[C@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)c1cccc([N+](=O)[O-])c1 ZINC001578477894 1403762436 /nfs/dbraw/zinc/76/24/36/1403762436.db2.gz VDMHOHCJYFMNPC-LBPRGKRZSA-N -1 1 340.347 2.437 20 5 EEBDMM CC[C@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)c1cccc([N+](=O)[O-])c1 ZINC001578477894 1403762441 /nfs/dbraw/zinc/76/24/41/1403762441.db2.gz VDMHOHCJYFMNPC-LBPRGKRZSA-N -1 1 340.347 2.437 20 5 EEBDMM CCSCCSCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000840203567 782392683 /nfs/dbraw/zinc/39/26/83/782392683.db2.gz HZALEVWUKVSQQA-UHFFFAOYSA-N -1 1 328.415 2.338 20 5 EEBDMM COC(=O)[C@@H]([N-]c1cc(F)c(OC)cc1[N+](=O)[O-])C(F)(F)F ZINC001171016161 787717553 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O=C(N[C@@H]1CCCOc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000156138860 462983780 /nfs/dbraw/zinc/98/37/80/462983780.db2.gz CTDATAGFNHVFGV-CYBMUJFWSA-N -1 1 329.312 2.339 20 5 EEBDMM CCS[C@H]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000162883972 463546984 /nfs/dbraw/zinc/54/69/84/463546984.db2.gz CEKGGVDANBBPIG-ONGXEEELSA-N -1 1 325.390 2.442 20 5 EEBDMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000195077640 463987486 /nfs/dbraw/zinc/98/74/86/463987486.db2.gz OPXNPSHHFXWOMI-SECBINFHSA-N -1 1 348.384 2.360 20 5 EEBDMM Cc1cc(F)cc2c1CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000337518888 465411155 /nfs/dbraw/zinc/41/11/55/465411155.db2.gz SIHFPYGPCWZYNC-UHFFFAOYSA-N -1 1 331.303 2.341 20 5 EEBDMM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1 ZINC000330445110 465663886 /nfs/dbraw/zinc/66/38/86/465663886.db2.gz CQIWZTZUHGWVAU-WDEREUQCSA-N -1 1 330.410 2.058 20 5 EEBDMM Cc1[n-][nH]c(=O)c1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000590397915 468245766 /nfs/dbraw/zinc/24/57/66/468245766.db2.gz IYMLZYDUNXIVNC-UHFFFAOYSA-N -1 1 345.359 2.187 20 5 EEBDMM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000155010338 528608593 /nfs/dbraw/zinc/60/85/93/528608593.db2.gz FHGIHAXRTYRCIP-CYBMUJFWSA-N -1 1 348.396 2.055 20 5 EEBDMM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cc(O)ccc1[N+](=O)[O-] ZINC000772796751 577298267 /nfs/dbraw/zinc/29/82/67/577298267.db2.gz LFALNNVWAJARAK-IWQZZHSRSA-N -1 1 331.240 2.472 20 5 EEBDMM COc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cl)n1 ZINC000760325695 577660723 /nfs/dbraw/zinc/66/07/23/577660723.db2.gz QMHGAYWHCLTUJE-UHFFFAOYSA-N -1 1 343.748 2.453 20 5 EEBDMM COC(=O)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc21 ZINC000741698986 578122535 /nfs/dbraw/zinc/12/25/35/578122535.db2.gz NATKLYYUMRDKAN-JTQLQIEISA-N -1 1 329.312 2.230 20 5 EEBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1nccnc1-c1nn[n-]n1 ZINC000737265046 578246904 /nfs/dbraw/zinc/24/69/04/578246904.db2.gz RZPOIFVPBTZROD-UHFFFAOYSA-N -1 1 333.695 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/nfs/dbraw/zinc/58/58/99/608585899.db2.gz DXZYLMLMFRINMS-UHFFFAOYSA-N -1 1 349.354 2.382 20 5 EEBDMM Cc1noc([C@@H](C)[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC000777971879 1206612841 /nfs/dbraw/zinc/61/28/41/1206612841.db2.gz NTRGQJMODQDRQC-SSDOTTSWSA-N -1 1 326.259 2.255 20 5 EEBDMM COCCC1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000795285255 1212424517 /nfs/dbraw/zinc/42/45/17/1212424517.db2.gz USJCSVJECHGGSY-UHFFFAOYSA-N -1 1 348.808 2.486 20 5 EEBDMM CSc1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000857752109 1293908233 /nfs/dbraw/zinc/90/82/33/1293908233.db2.gz APKSEQKSMFBMPP-UHFFFAOYSA-N -1 1 341.330 2.329 20 5 EEBDMM O=[N+]([O-])c1ccc([C@@H](OCC[P@@](=O)([O-])O)C(F)(F)F)cc1 ZINC001224603490 1300666118 /nfs/dbraw/zinc/66/61/18/1300666118.db2.gz YYWSSDVAGXCUPN-SECBINFHSA-N -1 1 329.167 2.393 20 5 EEBDMM NN1CCC(Oc2cc3c(=O)c4c(O)cccc4oc3cc2[O-])CC1 ZINC001227309151 1301776899 /nfs/dbraw/zinc/77/68/99/1301776899.db2.gz HYIUKLRGFOEGMG-UHFFFAOYSA-N -1 1 342.351 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O=C(c1ccc([O-])cc1F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000154617831 462789269 /nfs/dbraw/zinc/78/92/69/462789269.db2.gz ZMSZUDADCGOOFE-UHFFFAOYSA-N -1 1 345.330 2.402 20 5 EEBDMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000162883860 463546936 /nfs/dbraw/zinc/54/69/36/463546936.db2.gz CEKGGVDANBBPIG-GXSJLCMTSA-N -1 1 325.390 2.442 20 5 EEBDMM Cc1cc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)n[nH]1 ZINC000272352671 464575225 /nfs/dbraw/zinc/57/52/25/464575225.db2.gz CRUQALLXUXTDKU-UHFFFAOYSA-N -1 1 330.344 2.352 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000192805200 465000940 /nfs/dbraw/zinc/00/09/40/465000940.db2.gz ADUMSOXWFVYNDK-AWEZNQCLSA-N -1 1 347.302 2.048 20 5 EEBDMM COc1cc(F)cc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000412411773 467080985 /nfs/dbraw/zinc/08/09/85/467080985.db2.gz QYBWHUUTQIOLIY-VIFPVBQESA-N -1 1 349.318 2.204 20 5 EEBDMM COc1cccc([C@@H]2C[C@H]2CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000412876798 467138519 /nfs/dbraw/zinc/13/85/19/467138519.db2.gz OUDRODJQBOZELK-FZMZJTMJSA-N -1 1 343.339 2.238 20 5 EEBDMM Cc1[nH]nc(C(=O)[N-]c2cc(-c3cccc(F)c3)on2)c1[N+](=O)[O-] ZINC000448539082 467592377 /nfs/dbraw/zinc/59/23/77/467592377.db2.gz RICACICUNMXIDV-UHFFFAOYSA-N -1 1 331.263 2.673 20 5 EEBDMM CC[C@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(F)F ZINC000594729346 468665979 /nfs/dbraw/zinc/66/59/79/468665979.db2.gz XNJQVWYPGUAOKE-VIFPVBQESA-N -1 1 345.327 2.465 20 5 EEBDMM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000572429644 468931419 /nfs/dbraw/zinc/93/14/19/468931419.db2.gz AVVGHJUDGZUMFQ-IJLUTSLNSA-N -1 1 327.406 2.340 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCc2cc(F)ccc21 ZINC000610212317 469988537 /nfs/dbraw/zinc/98/85/37/469988537.db2.gz IQBMXJRWTDVDBX-LBPRGKRZSA-N -1 1 337.332 2.095 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000187068776 534767789 /nfs/dbraw/zinc/76/77/89/534767789.db2.gz DHWYUMJMFAOUPW-CQSZACIVSA-N -1 1 347.302 2.048 20 5 EEBDMM Cc1ncc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])s1 ZINC000771957126 577241345 /nfs/dbraw/zinc/24/13/45/577241345.db2.gz PFOGARRLWWSCQG-UHFFFAOYSA-N -1 1 345.377 2.020 20 5 EEBDMM Cc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000768882067 577564972 /nfs/dbraw/zinc/56/49/72/577564972.db2.gz MRVZJIVFGIRCKK-UHFFFAOYSA-N -1 1 342.354 2.464 20 5 EEBDMM O=C([O-])c1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768890525 577565161 /nfs/dbraw/zinc/56/51/61/577565161.db2.gz LAEYANBMPXNGSB-UHFFFAOYSA-N -1 1 328.327 2.155 20 5 EEBDMM O=[N+]([O-])c1c([N-]c2cnn(C[C@H]3CCCO3)c2)nc2ccccn21 ZINC000052428872 679158578 /nfs/dbraw/zinc/15/85/78/679158578.db2.gz FFRDDWBRIFJWJZ-GFCCVEGCSA-N -1 1 328.332 2.362 20 5 EEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccccn1 ZINC000814973534 1199815710 /nfs/dbraw/zinc/81/57/10/1199815710.db2.gz QTPMGHVLHZTLRZ-UHFFFAOYSA-N -1 1 345.739 2.261 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](O)C1 ZINC000121783108 1201666059 /nfs/dbraw/zinc/66/60/59/1201666059.db2.gz WMNIHTDHOJAIGB-MWLCHTKSSA-N -1 1 348.808 2.078 20 5 EEBDMM Cn1[n-]cc2c(=NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)ccnc1-2 ZINC000801704310 1236056885 /nfs/dbraw/zinc/05/68/85/1236056885.db2.gz IIHNTQVEESLOGA-UHFFFAOYSA-N -1 1 339.355 2.166 20 5 EEBDMM CCO[C@H](C)c1noc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000780074222 1236475855 /nfs/dbraw/zinc/47/58/55/1236475855.db2.gz DGWCTOBLIUJTRK-MRVPVSSYSA-N -1 1 337.288 2.138 20 5 EEBDMM O=C(NCCN(c1ccccc1[N+](=O)[O-])C1CC1)c1ncccc1[O-] ZINC001101323404 1245658623 /nfs/dbraw/zinc/65/86/23/1245658623.db2.gz GKAZVRSMLQERKT-UHFFFAOYSA-N -1 1 342.355 2.094 20 5 EEBDMM O=c1c2ccc(O)c(OC[C@H]3C[C@@H](O)C3)c2oc2cc([O-])cc(O)c12 ZINC001218435558 1297664554 /nfs/dbraw/zinc/66/45/54/1297664554.db2.gz GXFAZUJNDCKREU-DTORHVGOSA-N -1 1 344.319 2.213 20 5 EEBDMM CCOC(=O)[C@H]1CC[C@H](Oc2cc([N+](=O)[O-])c(C)cc2[O-])CO1 ZINC001229751973 1302935083 /nfs/dbraw/zinc/93/50/83/1302935083.db2.gz ZUZMGJIURUXIDT-GXFFZTMASA-N -1 1 325.317 2.098 20 5 EEBDMM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)O1 ZINC000841560290 1315577631 /nfs/dbraw/zinc/57/76/31/1315577631.db2.gz LKLWCMITVWMALU-KXUCPTDWSA-N -1 1 348.808 2.340 20 5 EEBDMM O=[N+]([O-])c1cc(Nc2ncc(Br)nc2CO)ccc1[O-] ZINC001210395194 1325263311 /nfs/dbraw/zinc/26/33/11/1325263311.db2.gz RLEZOOPWDBBZCC-UHFFFAOYSA-N -1 1 341.121 2.089 20 5 EEBDMM COC(=O)c1cnc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(C(=O)OC)c1 ZINC001210395516 1325263926 /nfs/dbraw/zinc/26/39/26/1325263926.db2.gz YURRZVWRPZDYPM-UHFFFAOYSA-N -1 1 347.283 2.012 20 5 EEBDMM COC[C@@H]1CCCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001605071089 1351071747 /nfs/dbraw/zinc/07/17/47/1351071747.db2.gz AVXQVLJPMIVLFX-LLVKDONJSA-N -1 1 332.364 2.028 20 5 EEBDMM COC[C@@H]1CCCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001605071089 1351071750 /nfs/dbraw/zinc/07/17/50/1351071750.db2.gz AVXQVLJPMIVLFX-LLVKDONJSA-N -1 1 332.364 2.028 20 5 EEBDMM CSC1CCC(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC001309846240 1331644587 /nfs/dbraw/zinc/64/45/87/1331644587.db2.gz TYFADSCEMUUOIP-UHFFFAOYSA-N -1 1 345.446 2.190 20 5 EEBDMM COCC1(C2CCC2)CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001591385269 1349478757 /nfs/dbraw/zinc/47/87/57/1349478757.db2.gz MDAATRHPVQXMQV-UHFFFAOYSA-N -1 1 344.375 2.028 20 5 EEBDMM Cc1cc(NCC2(O)CCC(C)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592042740 1349587351 /nfs/dbraw/zinc/58/73/51/1349587351.db2.gz NQPPGNIKFQDBLC-UHFFFAOYSA-N -1 1 346.391 2.436 20 5 EEBDMM Cc1cc(NCC2(O)CCC(C)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592042740 1349587355 /nfs/dbraw/zinc/58/73/55/1349587355.db2.gz NQPPGNIKFQDBLC-UHFFFAOYSA-N -1 1 346.391 2.436 20 5 EEBDMM Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592197755 1349605430 /nfs/dbraw/zinc/60/54/30/1349605430.db2.gz QLZUWZNZXVOEOM-UHFFFAOYSA-N -1 1 343.299 2.342 20 5 EEBDMM O=[N+]([O-])c1c(NC[C@@H](O)c2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC001593466028 1349804007 /nfs/dbraw/zinc/80/40/07/1349804007.db2.gz UTIQUCZNFSOZFL-CYBMUJFWSA-N -1 1 344.306 2.060 20 5 EEBDMM O=[N+]([O-])c1c(NC[C@@H](O)c2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC001593466028 1349804009 /nfs/dbraw/zinc/80/40/09/1349804009.db2.gz UTIQUCZNFSOZFL-CYBMUJFWSA-N -1 1 344.306 2.060 20 5 EEBDMM O=[N+]([O-])c1cc(N[C@H](CO)c2cccc(F)c2)ccc1-c1nn[n-]n1 ZINC001593473400 1349808038 /nfs/dbraw/zinc/80/80/38/1349808038.db2.gz AUDDYPKSPINWDC-CYBMUJFWSA-N -1 1 344.306 2.060 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@H]1CCOC2(CCC2)C1 ZINC001593488502 1349816107 /nfs/dbraw/zinc/81/61/07/1349816107.db2.gz HFFOKMYHSXLAJN-QMMMGPOBSA-N -1 1 336.377 2.350 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@H]1CCOC2(CCC2)C1 ZINC001593488502 1349816111 /nfs/dbraw/zinc/81/61/11/1349816111.db2.gz HFFOKMYHSXLAJN-QMMMGPOBSA-N -1 1 336.377 2.350 20 5 EEBDMM Cc1cc(N2CCC(c3n[nH]c(=O)o3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600240314 1349999568 /nfs/dbraw/zinc/99/95/68/1349999568.db2.gz SBKFENLCNWCHDU-UHFFFAOYSA-N -1 1 348.315 2.074 20 5 EEBDMM Cn1cc(CN[C@@H](C(=O)[O-])c2cccc3ccccc32)c([N+](=O)[O-])n1 ZINC001600953050 1350175766 /nfs/dbraw/zinc/17/57/66/1350175766.db2.gz RENYJVXFYLHJQX-OAHLLOKOSA-N -1 1 340.339 2.397 20 5 EEBDMM O=C([O-])CC1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC001601957080 1350405359 /nfs/dbraw/zinc/40/53/59/1350405359.db2.gz VBYIUFHTMYKJIZ-UHFFFAOYSA-N -1 1 336.344 2.148 20 5 EEBDMM CCOC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001604420585 1350934735 /nfs/dbraw/zinc/93/47/35/1350934735.db2.gz BEGZUPVCAOCBRB-SECBINFHSA-N -1 1 338.393 2.089 20 5 EEBDMM CCOC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001604420585 1350934738 /nfs/dbraw/zinc/93/47/38/1350934738.db2.gz BEGZUPVCAOCBRB-SECBINFHSA-N -1 1 338.393 2.089 20 5 EEBDMM CO[C@]1(C)CCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001605015325 1351055612 /nfs/dbraw/zinc/05/56/12/1351055612.db2.gz JYUNSSNSJZGMBX-OAHLLOKOSA-N -1 1 332.364 2.170 20 5 EEBDMM CO[C@]1(C)CCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001605015325 1351055614 /nfs/dbraw/zinc/05/56/14/1351055614.db2.gz JYUNSSNSJZGMBX-OAHLLOKOSA-N -1 1 332.364 2.170 20 5 EEBDMM Cc1cc(CN(C)c2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)no1 ZINC001605655809 1351211040 /nfs/dbraw/zinc/21/10/40/1351211040.db2.gz ORJCJIKOVWBIJO-UHFFFAOYSA-N -1 1 329.320 2.016 20 5 EEBDMM Cc1cc(CN(C)c2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)no1 ZINC001605655809 1351211042 /nfs/dbraw/zinc/21/10/42/1351211042.db2.gz ORJCJIKOVWBIJO-UHFFFAOYSA-N -1 1 329.320 2.016 20 5 EEBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nnn[n-]3)n2)c1C ZINC001605884571 1351246225 /nfs/dbraw/zinc/24/62/25/1351246225.db2.gz OIWWEUAGWBNJIK-UHFFFAOYSA-N -1 1 339.315 2.039 20 5 EEBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nn[n-]n3)n2)c1C ZINC001605884571 1351246228 /nfs/dbraw/zinc/24/62/28/1351246228.db2.gz OIWWEUAGWBNJIK-UHFFFAOYSA-N -1 1 339.315 2.039 20 5 EEBDMM Cc1ncsc1CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606103239 1351271313 /nfs/dbraw/zinc/27/13/13/1351271313.db2.gz FCPRQTCOQFEVNL-UHFFFAOYSA-N -1 1 331.361 2.194 20 5 EEBDMM Cc1ncsc1CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606103239 1351271317 /nfs/dbraw/zinc/27/13/17/1351271317.db2.gz FCPRQTCOQFEVNL-UHFFFAOYSA-N -1 1 331.361 2.194 20 5 EEBDMM O=[N+]([O-])c1cc(N2CCC[C@]3(CCCOC3)C2)ccc1-c1nn[n-]n1 ZINC001607078497 1351407956 /nfs/dbraw/zinc/40/79/56/1351407956.db2.gz CZDNPKUJBKVXMK-INIZCTEOSA-N -1 1 344.375 2.172 20 5 EEBDMM COc1ccccc1CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001607344883 1351479128 /nfs/dbraw/zinc/47/91/28/1351479128.db2.gz JNNGCXVIBZVQNK-UHFFFAOYSA-N -1 1 346.339 2.357 20 5 EEBDMM Cc1cnc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC001167937062 781006542 /nfs/dbraw/zinc/00/65/42/781006542.db2.gz QFRSLYJHKIGDRP-UHFFFAOYSA-N -1 1 349.283 2.383 20 5 EEBDMM C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C(=O)[O-] ZINC001589355805 954141017 /nfs/dbraw/zinc/14/10/17/954141017.db2.gz XKEZSYCXWJWCSN-QMTHXVAHSA-N -1 1 336.344 2.004 20 5 EEBDMM CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598068240 990363567 /nfs/dbraw/zinc/36/35/67/990363567.db2.gz MGXCKZSDDBFREP-BCMRRPTOSA-N -1 1 347.154 2.243 20 5 EEBDMM C[C@@](NC(=O)[C@@H]1CC1[N+](=O)[O-])(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593138431 993907983 /nfs/dbraw/zinc/90/79/83/993907983.db2.gz DTHCQXMGSQMLKR-OHILOLKFSA-N -1 1 347.154 2.075 20 5 EEBDMM CO[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)(C)C ZINC000173831942 231046384 /nfs/dbraw/zinc/04/63/84/231046384.db2.gz YUWUTFYJGGLKLQ-NSHDSACASA-N -1 1 334.369 2.073 20 5 EEBDMM O=C([N-]c1n[nH]c(-c2ccccn2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000056810067 214390130 /nfs/dbraw/zinc/39/01/30/214390130.db2.gz DCIKIRUMUKHRTE-UHFFFAOYSA-N -1 1 328.263 2.166 20 5 EEBDMM COc1ccc(C[C@@H](C)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193764388 240301549 /nfs/dbraw/zinc/30/15/49/240301549.db2.gz IKJKSBRKEJSMNV-LLVKDONJSA-N -1 1 345.355 2.313 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])n1 ZINC000360619563 164352909 /nfs/dbraw/zinc/35/29/09/164352909.db2.gz LSZAETMJBHQASX-SRVKXCTJSA-N -1 1 344.437 2.162 20 5 EEBDMM O=C(N[C@H]1CCCc2c(O)cccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000190310601 274991084 /nfs/dbraw/zinc/99/10/84/274991084.db2.gz VMMHMPMHQCRYFP-LBPRGKRZSA-N -1 1 329.312 2.208 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](CO)C1CCCC1 ZINC000289656120 275136226 /nfs/dbraw/zinc/13/62/26/275136226.db2.gz VSLNMDUOPGEXPI-NSHDSACASA-N -1 1 348.808 2.078 20 5 EEBDMM Cc1nn(C)c(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1[N+](=O)[O-] ZINC000186280963 293698677 /nfs/dbraw/zinc/69/86/77/293698677.db2.gz VJYAQQGWZVRGAG-VIFPVBQESA-N -1 1 330.344 2.496 20 5 EEBDMM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc(F)ccc1[O-] ZINC000444627701 315312940 /nfs/dbraw/zinc/31/29/40/315312940.db2.gz BAWXUNBGOFJUTQ-UHFFFAOYSA-N -1 1 330.275 2.246 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CCCCC1 ZINC000525698174 317068473 /nfs/dbraw/zinc/06/84/73/317068473.db2.gz PQVRPERJXDQKGN-NWDGAFQWSA-N -1 1 325.390 2.237 20 5 EEBDMM CCn1cnnc1-c1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000354604450 465050144 /nfs/dbraw/zinc/05/01/44/465050144.db2.gz RUAZGQXULUYHJM-UHFFFAOYSA-N -1 1 326.316 2.454 20 5 EEBDMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000336874131 465066221 /nfs/dbraw/zinc/06/62/21/465066221.db2.gz XDNDLBFFKBSOQY-UHFFFAOYSA-N -1 1 340.288 2.233 20 5 EEBDMM Cc1csc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)n1 ZINC000590589049 468279532 /nfs/dbraw/zinc/27/95/32/468279532.db2.gz QIQGFILXZLWDTR-UHFFFAOYSA-N -1 1 345.377 2.286 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCCO1 ZINC000145432073 463382012 /nfs/dbraw/zinc/38/20/12/463382012.db2.gz DWHHAOKFWQOLBH-VIFPVBQESA-N -1 1 334.781 2.096 20 5 EEBDMM C[C@@H](CCc1ccc(O)cc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185868662 463893991 /nfs/dbraw/zinc/89/39/91/463893991.db2.gz CNKFBEKIILDQPD-JTQLQIEISA-N 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Cc1cc(N2CCC[C@@H]2[C@@H]2CCCO2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592006425 1403983939 /nfs/dbraw/zinc/98/39/39/1403983939.db2.gz IEQIRCDONUSLAO-KGLIPLIRSA-N -1 1 344.375 2.231 20 5 EEBDMM Cc1cccnc1SCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000804922442 811072075 /nfs/dbraw/zinc/07/20/75/811072075.db2.gz RFIGJNNCBJDICE-UHFFFAOYSA-N -1 1 331.353 2.347 20 5 EEBDMM C[C@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C(=O)[O-] ZINC001589355247 954128083 /nfs/dbraw/zinc/12/80/83/954128083.db2.gz HSAKWKWGVRBPDT-CMPLNLGQSA-N -1 1 346.343 2.187 20 5 EEBDMM O=C([O-])[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000062133470 957599345 /nfs/dbraw/zinc/59/93/45/957599345.db2.gz KRXKBYSRRPVQSQ-SECBINFHSA-N -1 1 329.150 2.264 20 5 EEBDMM O=C([O-])[C@@H]1c2ccccc2CC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001606055879 973163847 /nfs/dbraw/zinc/16/38/47/973163847.db2.gz CHJVLMYJEQONLN-INIZCTEOSA-N -1 1 328.324 2.484 20 5 EEBDMM O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001606055879 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/nfs/dbraw/zinc/97/21/37/1349972137.db2.gz CCBUSSBENXMNON-LBPRGKRZSA-N -1 1 336.392 2.163 20 5 EEBDMM COc1c(C)cccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605155955 1351090374 /nfs/dbraw/zinc/09/03/74/1351090374.db2.gz WMAYNHIHYYEMOU-UHFFFAOYSA-N -1 1 341.331 2.099 20 5 EEBDMM COc1c(C)cccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605155955 1351090378 /nfs/dbraw/zinc/09/03/78/1351090378.db2.gz WMAYNHIHYYEMOU-UHFFFAOYSA-N -1 1 341.331 2.099 20 5 EEBDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC001605567756 1351191628 /nfs/dbraw/zinc/19/16/28/1351191628.db2.gz CPKQVRQLNQSGHX-JTQLQIEISA-N -1 1 340.347 2.355 20 5 EEBDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC001605567756 1351191630 /nfs/dbraw/zinc/19/16/30/1351191630.db2.gz CPKQVRQLNQSGHX-JTQLQIEISA-N -1 1 340.347 2.355 20 5 EEBDMM Cc1cc(C)cc(OCCCn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)c1 ZINC001605647622 1351209444 /nfs/dbraw/zinc/20/94/44/1351209444.db2.gz VUBWCMSSGKHFMJ-UHFFFAOYSA-N -1 1 343.347 2.057 20 5 EEBDMM Cc1cccc(CN(C)c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1 ZINC001605913499 1351252200 /nfs/dbraw/zinc/25/22/00/1351252200.db2.gz PKIWJCHKDTUFKV-UHFFFAOYSA-N -1 1 339.359 2.302 20 5 EEBDMM Cc1cccc(CN(C)c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)c1 ZINC001605913499 1351252205 /nfs/dbraw/zinc/25/22/05/1351252205.db2.gz PKIWJCHKDTUFKV-UHFFFAOYSA-N -1 1 339.359 2.302 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1C[C@]1(F)c1ccccc1 ZINC001607076694 1351407233 /nfs/dbraw/zinc/40/72/33/1351407233.db2.gz CVVKWILDVJVWEK-ABAIWWIYSA-N -1 1 341.306 2.219 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1C[C@]1(F)c1ccccc1 ZINC001607076694 1351407235 /nfs/dbraw/zinc/40/72/35/1351407235.db2.gz CVVKWILDVJVWEK-ABAIWWIYSA-N -1 1 341.306 2.219 20 5 EEBDMM O=[N+]([O-])c1c(N[C@@H](C2CCC2)[C@H]2CCOC2)cccc1-c1nnn[n-]1 ZINC001607077854 1351407427 /nfs/dbraw/zinc/40/74/27/1351407427.db2.gz GLRSBPIJUQPZCF-FZMZJTMJSA-N -1 1 344.375 2.392 20 5 EEBDMM O=[N+]([O-])c1c(N[C@@H](C2CCC2)[C@H]2CCOC2)cccc1-c1nn[n-]n1 ZINC001607077854 1351407430 /nfs/dbraw/zinc/40/74/30/1351407430.db2.gz GLRSBPIJUQPZCF-FZMZJTMJSA-N -1 1 344.375 2.392 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@@H]2CSC[C@H]2C1 ZINC001607086066 1351412598 /nfs/dbraw/zinc/41/25/98/1351412598.db2.gz RQQHZVFVYQYMHF-HTQZYQBOSA-N -1 1 338.418 2.026 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@@H]2CSC[C@H]2C1 ZINC001607086066 1351412600 /nfs/dbraw/zinc/41/26/00/1351412600.db2.gz RQQHZVFVYQYMHF-HTQZYQBOSA-N -1 1 338.418 2.026 20 5 EEBDMM COCC1(CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCC1 ZINC001591388144 1403909513 /nfs/dbraw/zinc/90/95/13/1403909513.db2.gz UPGJQUBOHCNSTE-UHFFFAOYSA-N -1 1 332.364 2.394 20 5 EEBDMM COCC1(CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCC1 ZINC001591388144 1403909517 /nfs/dbraw/zinc/90/95/17/1403909517.db2.gz UPGJQUBOHCNSTE-UHFFFAOYSA-N -1 1 332.364 2.394 20 5 EEBDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1cccc([N+](=O)[O-])c1C ZINC001606171207 1404773125 /nfs/dbraw/zinc/77/31/25/1404773125.db2.gz WRLHDVMWJVAURW-UHFFFAOYSA-N -1 1 343.299 2.342 20 5 EEBDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1cccc([N+](=O)[O-])c1C ZINC001606171207 1404773127 /nfs/dbraw/zinc/77/31/27/1404773127.db2.gz WRLHDVMWJVAURW-UHFFFAOYSA-N -1 1 343.299 2.342 20 5 EEBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1O[C@H]1CNCC1(F)F ZINC001218235451 761806969 /nfs/dbraw/zinc/80/69/69/761806969.db2.gz CSKFRDRRTCUSHI-QMMMGPOBSA-N -1 1 339.092 2.049 20 5 EEBDMM O=C([N-]c1nncs1)c1cc([N+](=O)[O-])ccc1Br ZINC000045625357 789488794 /nfs/dbraw/zinc/48/87/94/789488794.db2.gz OETNDGAZSHQQOC-UHFFFAOYSA-N -1 1 329.135 2.461 20 5 EEBDMM O=c1nc2nc[nH]c2c(Nc2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])[n-]1 ZINC001170222894 809841403 /nfs/dbraw/zinc/84/14/03/809841403.db2.gz HKEBTDFFKOLENQ-UHFFFAOYSA-N -1 1 348.710 2.031 20 5 EEBDMM COc1cc(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC001594056653 958042064 /nfs/dbraw/zinc/04/20/64/958042064.db2.gz RQCVNCSUOOBNEE-UWVGGRQHSA-N -1 1 326.324 2.428 20 5 EEBDMM COc1cc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)c([N+](=O)[O-])cc1F ZINC001594056656 958042571 /nfs/dbraw/zinc/04/25/71/958042571.db2.gz RQCVNCSUOOBNEE-ZJUUUORDSA-N -1 1 326.324 2.428 20 5 EEBDMM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588557574 959069247 /nfs/dbraw/zinc/06/92/47/959069247.db2.gz JXQBIYUWMJMNCT-QWHCGFSZSA-N -1 1 349.387 2.499 20 5 EEBDMM COC(CN(CCC(=O)[O-])Cc1ccc(Cl)c([N+](=O)[O-])c1)OC ZINC001599047325 999159567 /nfs/dbraw/zinc/15/95/67/999159567.db2.gz BLPVPWAKUPEABO-UHFFFAOYSA-N -1 1 346.767 2.144 20 5 EEBDMM O=C(c1cncc([O-])c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174807267 231315947 /nfs/dbraw/zinc/31/59/47/231315947.db2.gz OGIMZRQAQQLKFV-UHFFFAOYSA-N -1 1 343.339 2.379 20 5 EEBDMM COc1ccc([C@@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1 ZINC000187440585 533146158 /nfs/dbraw/zinc/14/61/58/533146158.db2.gz OMKWOVGRIMTJGC-GFCCVEGCSA-N -1 1 343.339 2.334 20 5 EEBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000271319540 256233036 /nfs/dbraw/zinc/23/30/36/256233036.db2.gz YBNMKNAYCHCQTM-DTWKUNHWSA-N -1 1 334.781 2.094 20 5 EEBDMM O=C1C[C@H](c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CN1CC1CCC1 ZINC000273811047 256329218 /nfs/dbraw/zinc/32/92/18/256329218.db2.gz CFWSBOXRDIXULB-JTQLQIEISA-N -1 1 331.332 2.089 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](O)C1 ZINC000121789718 292267747 /nfs/dbraw/zinc/26/77/47/292267747.db2.gz RAHKHCVEYSPWTL-VHSXEESVSA-N -1 1 348.808 2.078 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCOC(F)F ZINC000193964002 268623199 /nfs/dbraw/zinc/62/31/99/268623199.db2.gz KJAGIWXYDVPBMF-UHFFFAOYSA-N -1 1 344.723 2.156 20 5 EEBDMM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000290965600 275256263 /nfs/dbraw/zinc/25/62/63/275256263.db2.gz PDQKTMHZWJOUHB-UHFFFAOYSA-N -1 1 344.780 2.399 20 5 EEBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C(C)C)c1 ZINC000158913875 311334229 /nfs/dbraw/zinc/33/42/29/311334229.db2.gz GYQYXPZQCWILBY-UHFFFAOYSA-N -1 1 340.361 2.187 20 5 EEBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CS1 ZINC000416582681 313264695 /nfs/dbraw/zinc/26/46/95/313264695.db2.gz GUJDTVMQJJGZQB-JGVFFNPUSA-N -1 1 336.822 2.421 20 5 EEBDMM COc1ccc2c(c1)CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C2 ZINC000565931151 319226910 /nfs/dbraw/zinc/22/69/10/319226910.db2.gz WCEKQUUTXWERKI-UHFFFAOYSA-N -1 1 343.339 2.293 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CCCCC(F)(F)C1 ZINC000579185676 323792498 /nfs/dbraw/zinc/79/24/98/323792498.db2.gz ROTHEWPYZCANNF-SNVBAGLBSA-N -1 1 349.359 2.484 20 5 EEBDMM COc1ccccc1CC(C)(C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000582010361 324361211 /nfs/dbraw/zinc/36/12/11/324361211.db2.gz VYCBQDICOUABGQ-UHFFFAOYSA-N -1 1 345.355 2.455 20 5 EEBDMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000188103229 464201223 /nfs/dbraw/zinc/20/12/23/464201223.db2.gz VQICZYCXYHVEPE-VIFPVBQESA-N -1 1 348.384 2.360 20 5 EEBDMM COc1ccc([N+](=O)[O-])c(C(=O)NCc2n[n-]c(=S)n2C2CC2)c1 ZINC000066638007 462915795 /nfs/dbraw/zinc/91/57/95/462915795.db2.gz HJZBMGZUNZQSEW-UHFFFAOYSA-N -1 1 349.372 2.122 20 5 EEBDMM CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cccs1 ZINC000025385485 463123411 /nfs/dbraw/zinc/12/34/11/463123411.db2.gz NXNSVPBPJZUGGJ-GFCCVEGCSA-N -1 1 335.385 2.395 20 5 EEBDMM O=C(NCCc1cccc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000031955680 463360641 /nfs/dbraw/zinc/36/06/41/463360641.db2.gz BFYCCJUWDCNITA-UHFFFAOYSA-N -1 1 337.335 2.409 20 5 EEBDMM CCCCOCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000195236838 464023108 /nfs/dbraw/zinc/02/31/08/464023108.db2.gz QVIBBCQQPITVGZ-UHFFFAOYSA-N -1 1 336.797 2.343 20 5 EEBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c1[N+](=O)[O-] ZINC000189306015 464472293 /nfs/dbraw/zinc/47/22/93/464472293.db2.gz SRPYCGPHDBUBCJ-UHFFFAOYSA-N -1 1 347.356 2.284 20 5 EEBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3nn[nH]c3c2)c1[N+](=O)[O-] ZINC000189306015 464472299 /nfs/dbraw/zinc/47/22/99/464472299.db2.gz SRPYCGPHDBUBCJ-UHFFFAOYSA-N -1 1 347.356 2.284 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000182914154 464756689 /nfs/dbraw/zinc/75/66/89/464756689.db2.gz BNIBNVZHXZTPLI-ZDUSSCGKSA-N -1 1 347.302 2.128 20 5 EEBDMM C[C@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000360318960 465555740 /nfs/dbraw/zinc/55/57/40/465555740.db2.gz OQAIDZIASHNMQL-FUXBKTLASA-N -1 1 333.275 2.087 20 5 EEBDMM C[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCOC1 ZINC000357417350 466019905 /nfs/dbraw/zinc/01/99/05/466019905.db2.gz CWAJFSBDRAMZBQ-LBPRGKRZSA-N -1 1 334.781 2.096 20 5 EEBDMM O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340404688 466069535 /nfs/dbraw/zinc/06/95/35/466069535.db2.gz CQCZPVMHUHUZAU-UHFFFAOYSA-N -1 1 349.310 2.304 20 5 EEBDMM Cc1ccccc1[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCO1 ZINC000365652195 466897059 /nfs/dbraw/zinc/89/70/59/466897059.db2.gz ZNWBGYXPRLFEQI-HNNXBMFYSA-N -1 1 343.339 2.218 20 5 EEBDMM CCC(CC)[C@@H](CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)OC ZINC000438176374 467563174 /nfs/dbraw/zinc/56/31/74/467563174.db2.gz KFLZRYWUFHPQTG-CYBMUJFWSA-N -1 1 325.365 2.267 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cccc(Cl)c1 ZINC000610211922 469988566 /nfs/dbraw/zinc/98/85/66/469988566.db2.gz ILRFHZJLWDKRIJ-UHFFFAOYSA-N -1 1 327.749 2.122 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000186880937 534767876 /nfs/dbraw/zinc/76/78/76/534767876.db2.gz YQXJQYXCJXOXEO-CQSZACIVSA-N -1 1 347.302 2.048 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000187188638 534768693 /nfs/dbraw/zinc/76/86/93/534768693.db2.gz NQTLGNVAWMPHDP-ZDUSSCGKSA-N -1 1 347.327 2.110 20 5 EEBDMM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768866337 577564565 /nfs/dbraw/zinc/56/45/65/577564565.db2.gz SSXCHONOHHADBZ-UHFFFAOYSA-N -1 1 342.354 2.464 20 5 EEBDMM O=C1C[C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000768890070 577565130 /nfs/dbraw/zinc/56/51/30/577565130.db2.gz SOWCVMJOUIWTSK-NSHDSACASA-N -1 1 338.366 2.262 20 5 EEBDMM COC(=O)[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000769046605 577568003 /nfs/dbraw/zinc/56/80/03/577568003.db2.gz GLLLBWBBPMNHGJ-CQSZACIVSA-N -1 1 331.280 2.372 20 5 EEBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc3ccc(F)cn3n2)c1 ZINC000754629704 577809757 /nfs/dbraw/zinc/80/97/57/577809757.db2.gz LLABLIPDGUSZKC-UHFFFAOYSA-N -1 1 331.263 2.038 20 5 EEBDMM CCOc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821426283 599103000 /nfs/dbraw/zinc/10/30/00/599103000.db2.gz BBSXWFAFZNKERT-UHFFFAOYSA-N -1 1 328.288 2.361 20 5 EEBDMM CCOc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821426283 599103001 /nfs/dbraw/zinc/10/30/01/599103001.db2.gz BBSXWFAFZNKERT-UHFFFAOYSA-N -1 1 328.288 2.361 20 5 EEBDMM COc1ccccc1CN(C)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826219868 607448410 /nfs/dbraw/zinc/44/84/10/607448410.db2.gz UEWCGUXGGBWQFN-UHFFFAOYSA-N -1 1 340.343 2.420 20 5 EEBDMM COc1ccccc1CN(C)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826219868 607448411 /nfs/dbraw/zinc/44/84/11/607448411.db2.gz UEWCGUXGGBWQFN-UHFFFAOYSA-N -1 1 340.343 2.420 20 5 EEBDMM Cc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1F ZINC000822238671 607164834 /nfs/dbraw/zinc/16/48/34/607164834.db2.gz QCAYAWVFSUUTTO-UHFFFAOYSA-N -1 1 329.295 2.230 20 5 EEBDMM Cc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1F ZINC000822238671 607164835 /nfs/dbraw/zinc/16/48/35/607164835.db2.gz QCAYAWVFSUUTTO-UHFFFAOYSA-N -1 1 329.295 2.230 20 5 EEBDMM COc1cc(C)cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120099218 674604077 /nfs/dbraw/zinc/60/40/77/674604077.db2.gz CMWPLGPKOFTFJZ-UHFFFAOYSA-N -1 1 342.398 2.452 20 5 EEBDMM O=C([N-]c1nc2ccc(F)cn2n1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000129889742 1201925380 /nfs/dbraw/zinc/92/53/80/1201925380.db2.gz BDEVWFYYPURHHU-UHFFFAOYSA-N -1 1 337.217 2.307 20 5 EEBDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000135400596 1202349773 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CC(C)c1nc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n[nH]1 ZINC001118214096 1306316414 /nfs/dbraw/zinc/31/64/14/1306316414.db2.gz XMQHCWHLMNYSNV-UHFFFAOYSA-N -1 1 325.712 2.448 20 5 EEBDMM Cc1ccc(CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)s1 ZINC001605855910 1351238101 /nfs/dbraw/zinc/23/81/01/1351238101.db2.gz DSRVOZBXCRYAOC-UHFFFAOYSA-N -1 1 331.361 2.339 20 5 EEBDMM Cc1ccc(CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)s1 ZINC001605855910 1351238104 /nfs/dbraw/zinc/23/81/04/1351238104.db2.gz DSRVOZBXCRYAOC-UHFFFAOYSA-N -1 1 331.361 2.339 20 5 EEBDMM Cc1nccn1-c1ccncc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001320505281 1332899659 /nfs/dbraw/zinc/89/96/59/1332899659.db2.gz JAFPAIOVHJXFKH-UHFFFAOYSA-N -1 1 339.311 2.442 20 5 EEBDMM C[C@@H](NCc1nc(-c2nnn[n-]2)cs1)c1cccc([N+](=O)[O-])c1 ZINC001609125399 1351852961 /nfs/dbraw/zinc/85/29/61/1351852961.db2.gz XPNSZYCTSPEILW-MRVPVSSYSA-N -1 1 331.361 2.082 20 5 EEBDMM C[C@@H](NCc1nc(-c2nn[n-]n2)cs1)c1cccc([N+](=O)[O-])c1 ZINC001609125399 1351852969 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Cc1cc(NC[C@H]2CCC[C@H](O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592044611 1349587519 /nfs/dbraw/zinc/58/75/19/1349587519.db2.gz QCBQBCSJAWJKHL-JQWIXIFHSA-N -1 1 332.364 2.046 20 5 EEBDMM O=[N+]([O-])c1cnc(Oc2cnc(Cl)c(F)c2)c(-c2nnn[n-]2)c1 ZINC001593487875 1349815944 /nfs/dbraw/zinc/81/59/44/1349815944.db2.gz UMAUTDKAEZUFJN-UHFFFAOYSA-N -1 1 337.658 2.150 20 5 EEBDMM O=[N+]([O-])c1cnc(Oc2cnc(Cl)c(F)c2)c(-c2nn[n-]n2)c1 ZINC001593487875 1349815948 /nfs/dbraw/zinc/81/59/48/1349815948.db2.gz UMAUTDKAEZUFJN-UHFFFAOYSA-N -1 1 337.658 2.150 20 5 EEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H](c3ccncn3)C2)c1 ZINC001602403877 1350511383 /nfs/dbraw/zinc/51/13/83/1350511383.db2.gz PTCZXVWHYICAGI-ZDUSSCGKSA-N -1 1 342.355 2.463 20 5 EEBDMM CCC(C)(C)OCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603984500 1350820315 /nfs/dbraw/zinc/82/03/15/1350820315.db2.gz MRPDADIDYRWRLV-UHFFFAOYSA-N -1 1 326.382 2.454 20 5 EEBDMM CCC(C)(C)OCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603984500 1350820316 /nfs/dbraw/zinc/82/03/16/1350820316.db2.gz MRPDADIDYRWRLV-UHFFFAOYSA-N -1 1 326.382 2.454 20 5 EEBDMM CCc1cnc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])s1 ZINC001604537219 1350957311 /nfs/dbraw/zinc/95/73/11/1350957311.db2.gz GEMNKHVJDMTWQW-UHFFFAOYSA-N -1 1 331.361 2.406 20 5 EEBDMM CCc1cnc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])s1 ZINC001604537219 1350957312 /nfs/dbraw/zinc/95/73/12/1350957312.db2.gz GEMNKHVJDMTWQW-UHFFFAOYSA-N -1 1 331.361 2.406 20 5 EEBDMM Cc1ccc([C@H](O)CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC001605884438 1351245916 /nfs/dbraw/zinc/24/59/16/1351245916.db2.gz FPJXHNIQDFPFRT-CQSZACIVSA-N -1 1 340.343 2.229 20 5 EEBDMM Cc1ccc([C@H](O)CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC001605884438 1351245919 /nfs/dbraw/zinc/24/59/19/1351245919.db2.gz FPJXHNIQDFPFRT-CQSZACIVSA-N -1 1 340.343 2.229 20 5 EEBDMM Cc1ccccc1[C@H](O)CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001605935372 1351256541 /nfs/dbraw/zinc/25/65/41/1351256541.db2.gz QFLNVLZYVDCMAI-OAHLLOKOSA-N -1 1 340.343 2.229 20 5 EEBDMM Cc1ccccc1[C@H](O)CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001605935372 1351256547 /nfs/dbraw/zinc/25/65/47/1351256547.db2.gz QFLNVLZYVDCMAI-OAHLLOKOSA-N -1 1 340.343 2.229 20 5 EEBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1Sc1n[nH]c(C2CC2)n1 ZINC001607077526 1351407747 /nfs/dbraw/zinc/40/77/47/1351407747.db2.gz OIIRVOWBPGDZLU-UHFFFAOYSA-N -1 1 348.323 2.061 20 5 EEBDMM O=[N+]([O-])c1ccc(C(F)(F)F)c(Cn2ccnc2-c2nnn[n-]2)c1 ZINC001607082164 1351410227 /nfs/dbraw/zinc/41/02/27/1351410227.db2.gz QDHNVEGYWRZEKT-UHFFFAOYSA-N -1 1 339.237 2.039 20 5 EEBDMM O=[N+]([O-])c1ccc(C(F)(F)F)c(Cn2ccnc2-c2nn[n-]n2)c1 ZINC001607082164 1351410230 /nfs/dbraw/zinc/41/02/30/1351410230.db2.gz QDHNVEGYWRZEKT-UHFFFAOYSA-N -1 1 339.237 2.039 20 5 EEBDMM CCC1(O)CCC(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001590501569 1403881702 /nfs/dbraw/zinc/88/17/02/1403881702.db2.gz YBVOESQQUWDKBJ-UHFFFAOYSA-N -1 1 332.364 2.271 20 5 EEBDMM CCC1(O)CCC(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001590501569 1403881704 /nfs/dbraw/zinc/88/17/04/1403881704.db2.gz YBVOESQQUWDKBJ-UHFFFAOYSA-N -1 1 332.364 2.271 20 5 EEBDMM C[C@@H]1CC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000162905867 773518488 /nfs/dbraw/zinc/51/84/88/773518488.db2.gz ATJGGFBIKGHXMY-RKDXNWHRSA-N -1 1 348.808 2.483 20 5 EEBDMM C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C(=O)[O-] ZINC001589355807 954141619 /nfs/dbraw/zinc/14/16/19/954141619.db2.gz XKEZSYCXWJWCSN-YGRLFVJLSA-N -1 1 336.344 2.004 20 5 EEBDMM COc1cc(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC001594055846 958033650 /nfs/dbraw/zinc/03/36/50/958033650.db2.gz CBUZYYGWYZXCEX-MWLCHTKSSA-N -1 1 326.324 2.285 20 5 EEBDMM C[C@H]1CN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC[C@H]1C(=O)[O-] ZINC001599931456 985323823 /nfs/dbraw/zinc/32/38/23/985323823.db2.gz QTOBUACGGMCGJM-WDEREUQCSA-N -1 1 346.343 2.187 20 5 EEBDMM CSC1CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001599790461 987998149 /nfs/dbraw/zinc/99/81/49/987998149.db2.gz 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/nfs/dbraw/zinc/15/15/28/275151528.db2.gz KMDBSCPWQZPGSX-LURJTMIESA-N -1 1 343.188 2.215 20 5 EEBDMM Cc1cccc2oc(CCNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)nc21 ZINC000439563903 315085966 /nfs/dbraw/zinc/08/59/66/315085966.db2.gz WIUCDJUFWAKPLQ-UHFFFAOYSA-N -1 1 342.311 2.118 20 5 EEBDMM O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1ccc([N+](=O)[O-])[nH]1 ZINC000347486390 465051466 /nfs/dbraw/zinc/05/14/66/465051466.db2.gz YIBIWVDHTJVYFJ-UHFFFAOYSA-N -1 1 329.341 2.039 20 5 EEBDMM COC(=O)c1cc([N-]S(=O)(=O)CCC2CC2)c(C)c([N+](=O)[O-])c1 ZINC000277045606 463855275 /nfs/dbraw/zinc/85/52/75/463855275.db2.gz MUBBGWYKTFOXND-UHFFFAOYSA-N -1 1 342.373 2.232 20 5 EEBDMM C[C@H](C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1cccc([N+](=O)[O-])c1 ZINC000579703014 468398789 /nfs/dbraw/zinc/39/87/89/468398789.db2.gz LCTVDPARRJSSSN-JQWIXIFHSA-N -1 1 346.343 2.193 20 5 EEBDMM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Oc1ccc(F)cc1 ZINC000174546280 464421659 /nfs/dbraw/zinc/42/16/59/464421659.db2.gz CTIPNLXWZXWGGZ-VIFPVBQESA-N -1 1 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1302352032 /nfs/dbraw/zinc/35/20/32/1302352032.db2.gz REQJVDZHAVTUJJ-UHFFFAOYSA-N -1 1 333.373 2.116 20 5 EEBDMM C[C@@H](O)CCCC(=O)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228859260 1302488493 /nfs/dbraw/zinc/48/84/93/1302488493.db2.gz KECHNGCOLKLWCC-ZCFIWIBFSA-N -1 1 338.238 2.171 20 5 EEBDMM CC1=C(Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C(=O)O[C@H]1C ZINC001228860573 1302489798 /nfs/dbraw/zinc/48/97/98/1302489798.db2.gz WHONSLNDWIYUJD-YFKPBYRVSA-N -1 1 334.206 2.312 20 5 EEBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@@H]1CCOC[C@H]1F ZINC001228860455 1302489992 /nfs/dbraw/zinc/48/99/92/1302489992.db2.gz UVEASFGDTOBGFT-IYSWYEEDSA-N -1 1 326.202 2.220 20 5 EEBDMM CN(c1nc([O-])c(CC(=O)Nc2cccc([N+](=O)[O-])c2)s1)C1CC1 ZINC000783681685 1304327382 /nfs/dbraw/zinc/32/73/82/1304327382.db2.gz JYYPRSTULBLNMA-LBPRGKRZSA-N -1 1 348.384 2.016 20 5 EEBDMM CCN1CC(Oc2cc([O-])cc3oc4c(O)ccc(O)c4c(=O)c23)C1 ZINC001234118636 1304751030 /nfs/dbraw/zinc/75/10/30/1304751030.db2.gz HVBSLYXPUSZSER-UHFFFAOYSA-N -1 1 343.335 2.146 20 5 EEBDMM CC(C)c1ncc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2F)[n-]1 ZINC000832116860 1314647789 /nfs/dbraw/zinc/64/77/89/1314647789.db2.gz PDGVJWZFZAPAMM-UHFFFAOYSA-N -1 1 347.299 2.487 20 5 EEBDMM CC(C)c1nc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2F)c[n-]1 ZINC000832116860 1314647791 /nfs/dbraw/zinc/64/77/91/1314647791.db2.gz PDGVJWZFZAPAMM-UHFFFAOYSA-N -1 1 347.299 2.487 20 5 EEBDMM O=C([N-]CCNc1ccc2c(cccc2[N+](=O)[O-])n1)C(F)(F)F ZINC001156203028 1317919400 /nfs/dbraw/zinc/91/94/00/1317919400.db2.gz DIQTYIYJGNMCAQ-UHFFFAOYSA-N -1 1 328.250 2.233 20 5 EEBDMM CCC[C@H](O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001309912964 1331647790 /nfs/dbraw/zinc/64/77/90/1331647790.db2.gz XMTPOFMBEPLLNA-JTQLQIEISA-N -1 1 336.797 2.078 20 5 EEBDMM COc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001320869571 1332969076 /nfs/dbraw/zinc/96/90/76/1332969076.db2.gz QGIZEYKHBVWVLW-UHFFFAOYSA-N -1 1 347.279 2.054 20 5 EEBDMM CC(C)(NCc1nc(-c2nnn[n-]2)cs1)c1ccccc1[N+](=O)[O-] ZINC001609084858 1351835280 /nfs/dbraw/zinc/83/52/80/1351835280.db2.gz HKSITIDDYXMNMK-UHFFFAOYSA-N -1 1 345.388 2.256 20 5 EEBDMM CC(C)(NCc1nc(-c2nn[n-]n2)cs1)c1ccccc1[N+](=O)[O-] ZINC001609084858 1351835284 /nfs/dbraw/zinc/83/52/84/1351835284.db2.gz HKSITIDDYXMNMK-UHFFFAOYSA-N -1 1 345.388 2.256 20 5 EEBDMM CCC1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCOCC1 ZINC001609197508 1351886768 /nfs/dbraw/zinc/88/67/68/1351886768.db2.gz GMRLVNFVIGJDMZ-UHFFFAOYSA-N -1 1 332.364 2.394 20 5 EEBDMM CCC1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCOCC1 ZINC001609197508 1351886770 /nfs/dbraw/zinc/88/67/70/1351886770.db2.gz GMRLVNFVIGJDMZ-UHFFFAOYSA-N -1 1 332.364 2.394 20 5 EEBDMM Cc1ccc([C@H](C)Nc2cc(-c3nnn[n-]3)ncn2)cc1[N+](=O)[O-] ZINC001609420300 1351969519 /nfs/dbraw/zinc/96/95/19/1351969519.db2.gz DDYDDSPEZOSYNG-VIFPVBQESA-N -1 1 326.320 2.046 20 5 EEBDMM Cc1ccc([C@H](C)Nc2cc(-c3nn[n-]n3)ncn2)cc1[N+](=O)[O-] ZINC001609420300 1351969520 /nfs/dbraw/zinc/96/95/20/1351969520.db2.gz DDYDDSPEZOSYNG-VIFPVBQESA-N -1 1 326.320 2.046 20 5 EEBDMM O=[N+]([O-])c1cc(N[C@@H]2CCO[C@H](C3CC3)C2)ccc1-c1nn[n-]n1 ZINC001609601298 1352031024 /nfs/dbraw/zinc/03/10/24/1352031024.db2.gz WBIDWYAPSIJDJQ-RISCZKNCSA-N -1 1 330.348 2.144 20 5 EEBDMM O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccsc1-c1nnn[n-]1 ZINC001582641825 1344775881 /nfs/dbraw/zinc/77/58/81/1344775881.db2.gz UKRYJRLDUMQAHO-UHFFFAOYSA-N -1 1 334.292 2.228 20 5 EEBDMM O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccsc1-c1nn[n-]n1 ZINC001582641825 1344775884 /nfs/dbraw/zinc/77/58/84/1344775884.db2.gz UKRYJRLDUMQAHO-UHFFFAOYSA-N -1 1 334.292 2.228 20 5 EEBDMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC001590474127 1349348394 /nfs/dbraw/zinc/34/83/94/1349348394.db2.gz YQZSYAHKGASANO-ZYHUDNBSSA-N -1 1 332.364 2.392 20 5 EEBDMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC001590474127 1349348396 /nfs/dbraw/zinc/34/83/96/1349348396.db2.gz YQZSYAHKGASANO-ZYHUDNBSSA-N -1 1 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-1 1 346.391 2.415 20 5 EEBDMM O=[N+]([O-])c1cc(N2CCC[C@@H]2[C@@H]2CCCOC2)ccc1-c1nn[n-]n1 ZINC001609600955 1352030670 /nfs/dbraw/zinc/03/06/70/1352030670.db2.gz LAOHQLQGIWPWRV-BXUZGUMPSA-N -1 1 344.375 2.170 20 5 EEBDMM O=[N+]([O-])c1cc(N2CCC[C@H]2[C@@H]2CCCOC2)ccc1-c1nn[n-]n1 ZINC001609600957 1352031076 /nfs/dbraw/zinc/03/10/76/1352031076.db2.gz LAOHQLQGIWPWRV-RISCZKNCSA-N -1 1 344.375 2.170 20 5 EEBDMM C[C@@H]1CC[C@]2(CCN(c3cc(N)c([N+](=O)[O-])c(-c4nnn[n-]4)c3)C2)C1 ZINC001590240059 1349219272 /nfs/dbraw/zinc/21/92/72/1349219272.db2.gz LSISIYNMADCUSS-HWPZZCPQSA-N -1 1 343.391 2.374 20 5 EEBDMM C[C@@H]1CC[C@]2(CCN(c3cc(N)c([N+](=O)[O-])c(-c4nn[n-]n4)c3)C2)C1 ZINC001590240059 1349219275 /nfs/dbraw/zinc/21/92/75/1349219275.db2.gz LSISIYNMADCUSS-HWPZZCPQSA-N -1 1 343.391 2.374 20 5 EEBDMM O=[N+]([O-])c1cc(Cl)cnc1Oc1ccc(F)nc1-c1nn[n-]n1 ZINC001593471118 1349806069 /nfs/dbraw/zinc/80/60/69/1349806069.db2.gz JHHUCVWKXGZWNL-UHFFFAOYSA-N -1 1 337.658 2.150 20 5 EEBDMM O=[N+]([O-])c1ccc(N(Cc2cccnc2)C2CC2)cc1-c1nnn[n-]1 ZINC001593476377 1349810582 /nfs/dbraw/zinc/81/05/82/1349810582.db2.gz NNNOOHIVBNLQPY-UHFFFAOYSA-N -1 1 337.343 2.339 20 5 EEBDMM O=[N+]([O-])c1ccc(N(Cc2cccnc2)C2CC2)cc1-c1nn[n-]n1 ZINC001593476377 1349810588 /nfs/dbraw/zinc/81/05/88/1349810588.db2.gz NNNOOHIVBNLQPY-UHFFFAOYSA-N -1 1 337.343 2.339 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1CCOC12CCCC2 ZINC001593487342 1349816290 /nfs/dbraw/zinc/81/62/90/1349816290.db2.gz CRLKXRHHDDLGKN-SNVBAGLBSA-N -1 1 336.377 2.350 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1CCOC12CCCC2 ZINC001593487342 1349816292 /nfs/dbraw/zinc/81/62/92/1349816292.db2.gz CRLKXRHHDDLGKN-SNVBAGLBSA-N -1 1 336.377 2.350 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCC[C@@H]1CCCC[C@@H]1O ZINC001593489067 1349817434 /nfs/dbraw/zinc/81/74/34/1349817434.db2.gz UODNXCKMSNTSCU-WPRPVWTQSA-N -1 1 338.393 2.190 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCC[C@@H]1CCCC[C@@H]1O ZINC001593489067 1349817439 /nfs/dbraw/zinc/81/74/39/1349817439.db2.gz UODNXCKMSNTSCU-WPRPVWTQSA-N -1 1 338.393 2.190 20 5 EEBDMM c1nc(-c2nn[n-]n2)nn1Cc1nc2ccccc2c2ccccc21 ZINC001593580320 1349862374 /nfs/dbraw/zinc/86/23/74/1349862374.db2.gz TXOIIQZKYHIJML-UHFFFAOYSA-N -1 1 328.339 2.208 20 5 EEBDMM O=C([O-])C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001601903464 1350393749 /nfs/dbraw/zinc/39/37/49/1350393749.db2.gz SOHFUZKNBDRTTG-GMTAPVOTSA-N -1 1 346.261 2.003 20 5 EEBDMM O=C([O-])c1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cs1 ZINC001602255489 1350478510 /nfs/dbraw/zinc/47/85/10/1350478510.db2.gz JGTBKVFGSPLZSN-UHFFFAOYSA-N -1 1 336.373 2.388 20 5 EEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(c3ncccn3)CC2)c1 ZINC001602405608 1350511865 /nfs/dbraw/zinc/51/18/65/1350511865.db2.gz ZYXCUHFGRKSCHW-UHFFFAOYSA-N -1 1 342.355 2.463 20 5 EEBDMM CC(C)OC1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001603346562 1350692327 /nfs/dbraw/zinc/69/23/27/1350692327.db2.gz AQKFNEUBZVTTCN-UHFFFAOYSA-N -1 1 338.393 2.230 20 5 EEBDMM CC(C)OC1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001603346562 1350692333 /nfs/dbraw/zinc/69/23/33/1350692333.db2.gz AQKFNEUBZVTTCN-UHFFFAOYSA-N -1 1 338.393 2.230 20 5 EEBDMM C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC001603668452 1350738041 /nfs/dbraw/zinc/73/80/41/1350738041.db2.gz VWNGWXUTBGHGFH-JTQLQIEISA-N -1 1 325.332 2.021 20 5 EEBDMM C[C@@H](c1cccc(Cl)c1F)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001603734948 1350754847 /nfs/dbraw/zinc/75/48/47/1350754847.db2.gz LEWPGSFDFBPYEA-LURJTMIESA-N -1 1 337.702 2.373 20 5 EEBDMM CO[C@]1(C)CCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001605014797 1351055090 /nfs/dbraw/zinc/05/50/90/1351055090.db2.gz BSMGPRRFFCTEOP-CYBMUJFWSA-N -1 1 338.393 2.232 20 5 EEBDMM CO[C@]1(C)CCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001605014797 1351055094 /nfs/dbraw/zinc/05/50/94/1351055094.db2.gz BSMGPRRFFCTEOP-CYBMUJFWSA-N -1 1 338.393 2.232 20 5 EEBDMM Cc1ccccc1[C@H](O)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605935437 1351256270 /nfs/dbraw/zinc/25/62/70/1351256270.db2.gz SDGIHSLZNVBAMG-CQSZACIVSA-N -1 1 340.343 2.229 20 5 EEBDMM Cc1ccccc1[C@H](O)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605935437 1351256273 /nfs/dbraw/zinc/25/62/73/1351256273.db2.gz SDGIHSLZNVBAMG-CQSZACIVSA-N -1 1 340.343 2.229 20 5 EEBDMM Nc1ccc(F)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC001175737524 798210378 /nfs/dbraw/zinc/21/03/78/798210378.db2.gz XMCNBJRAOFOPEE-UHFFFAOYSA-N -1 1 329.284 2.256 20 5 EEBDMM COc1ccc(C[C@@H](C)Nc2[n-]c(=O)nc3nc[nH]c32)c([N+](=O)[O-])c1 ZINC001170313317 809886277 /nfs/dbraw/zinc/88/62/77/809886277.db2.gz LCPBCHTUJPPTKF-MRVPVSSYSA-N -1 1 344.331 2.018 20 5 EEBDMM COc1cc(CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC001594055847 958033505 /nfs/dbraw/zinc/03/35/05/958033505.db2.gz CBUZYYGWYZXCEX-ONGXEEELSA-N -1 1 326.324 2.285 20 5 EEBDMM CO[C@@]1(C(=O)[O-])CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000901541434 980369938 /nfs/dbraw/zinc/36/99/38/980369938.db2.gz HMRIPBJTNRLQHB-ZDUSSCGKSA-N -1 1 348.277 2.289 20 5 EEBDMM C[C@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)N1[C@H](C)CC[C@H]1C ZINC001594303556 999175056 /nfs/dbraw/zinc/17/50/56/999175056.db2.gz XHLYVCFYNKPMDO-GMTAPVOTSA-N -1 1 335.360 2.493 20 5 EEBDMM O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000023387608 212374481 /nfs/dbraw/zinc/37/44/81/212374481.db2.gz ICRMFHGCJFNKAS-HTQZYQBOSA-N -1 1 333.266 2.134 20 5 EEBDMM CCC(CC)[C@H]1C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCO1 ZINC000193869980 240340518 /nfs/dbraw/zinc/34/05/18/240340518.db2.gz LJESMDGTTWQWLC-GXTWGEPZSA-N -1 1 337.376 2.409 20 5 EEBDMM Cc1csc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000343512318 161142527 /nfs/dbraw/zinc/14/25/27/161142527.db2.gz UMOCIOVUJYGYLF-UHFFFAOYSA-N -1 1 333.416 2.208 20 5 EEBDMM CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n[nH]1 ZINC000277820588 269186866 /nfs/dbraw/zinc/18/68/66/269186866.db2.gz LOXRHFJVDXHBCP-BDAKNGLRSA-N -1 1 333.348 2.423 20 5 EEBDMM Cc1cc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)cc([N+](=O)[O-])c1F ZINC000288619505 275076643 /nfs/dbraw/zinc/07/66/43/275076643.db2.gz MBRKOURNBMVXDD-ZCFIWIBFSA-N -1 1 330.259 2.271 20 5 EEBDMM C[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000525186348 317043851 /nfs/dbraw/zinc/04/38/51/317043851.db2.gz BPZSBNNKGNQENU-JTQLQIEISA-N -1 1 339.348 2.211 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC=C(c2cccnc2)C1 ZINC000578894321 468275870 /nfs/dbraw/zinc/27/58/70/468275870.db2.gz LLAVBSIRMRJIRA-UHFFFAOYSA-N -1 1 326.312 2.020 20 5 EEBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1n[nH]c(-c2ccccc2Cl)n1 ZINC000123177329 463322108 /nfs/dbraw/zinc/32/21/08/463322108.db2.gz SDHGCMDLXVSINN-UHFFFAOYSA-N -1 1 347.722 2.019 20 5 EEBDMM CSC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000194019080 463773492 /nfs/dbraw/zinc/77/34/92/463773492.db2.gz RDFBRLOLRVZCHS-UHFFFAOYSA-N -1 1 336.822 2.422 20 5 EEBDMM CCS[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000174909382 464468267 /nfs/dbraw/zinc/46/82/67/464468267.db2.gz MCJHCMSDLPXTND-KOLCDFICSA-N -1 1 325.390 2.490 20 5 EEBDMM O=[N+]([O-])c1cccc(C=C([O-])Nc2nc(-c3cccnc3)ns2)c1 ZINC000339594664 465370782 /nfs/dbraw/zinc/37/07/82/465370782.db2.gz BNTKVPFGMBFMTM-UHFFFAOYSA-N -1 1 341.352 2.111 20 5 EEBDMM O=C1CC[C@@H]2CN(Cc3cc([O-])ccc3[N+](=O)[O-])CC[C@@H]2N1C1CC1 ZINC000569509506 468503706 /nfs/dbraw/zinc/50/37/06/468503706.db2.gz XJUGWFYRGMOLMY-WBMJQRKESA-N -1 1 345.399 2.276 20 5 EEBDMM C[C@H](CCCc1cccnc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000457949038 467737080 /nfs/dbraw/zinc/73/70/80/467737080.db2.gz UKEZPDJPSFLHME-LLVKDONJSA-N -1 1 330.344 2.232 20 5 EEBDMM C[C@@H]1c2ccccc2OCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598567871 468917292 /nfs/dbraw/zinc/91/72/92/468917292.db2.gz HSRYZTYXJOFNQW-SNVBAGLBSA-N -1 1 329.312 2.291 20 5 EEBDMM CCOC(=O)c1nnc([N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])s1 ZINC000610895025 469106666 /nfs/dbraw/zinc/10/66/66/469106666.db2.gz LKIIJUOBJKXJGJ-UHFFFAOYSA-N -1 1 336.329 2.184 20 5 EEBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000773316156 577332757 /nfs/dbraw/zinc/33/27/57/577332757.db2.gz SUGQIULYTNGORU-FZKGZDJFSA-N -1 1 344.327 2.103 20 5 EEBDMM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000770715453 577602373 /nfs/dbraw/zinc/60/23/73/577602373.db2.gz GWOYGGWTVMRHRZ-SNVBAGLBSA-N -1 1 339.348 2.477 20 5 EEBDMM O=C(OCCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1 ZINC000823410200 606824631 /nfs/dbraw/zinc/82/46/31/606824631.db2.gz REMZBEUKIKZJMX-UHFFFAOYSA-N -1 1 345.340 2.236 20 5 EEBDMM O=C(OCCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)s1 ZINC000823410200 606824632 /nfs/dbraw/zinc/82/46/32/606824632.db2.gz REMZBEUKIKZJMX-UHFFFAOYSA-N -1 1 345.340 2.236 20 5 EEBDMM CN(CCNc1cccc(F)c1[N+](=O)[O-])C(=O)c1ncccc1[O-] ZINC001101561376 1245964046 /nfs/dbraw/zinc/96/40/46/1245964046.db2.gz SYXDLIIROWJHPV-UHFFFAOYSA-N -1 1 334.307 2.019 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCSC2)cc1F ZINC000867207473 1284328959 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269344610 /nfs/dbraw/zinc/34/46/10/269344610.db2.gz OGLXPYBMOMBHKR-JTQLQIEISA-N -1 1 348.808 2.078 20 5 EEBDMM CN(Cc1ccccc1)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000288576040 275071724 /nfs/dbraw/zinc/07/17/24/275071724.db2.gz XBTXLYREJPRJFP-UHFFFAOYSA-N -1 1 341.367 2.257 20 5 EEBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H](c2ccccc2)CO1 ZINC000185767699 288055360 /nfs/dbraw/zinc/05/53/60/288055360.db2.gz CCPKWCBIWDBLKM-IAQYHMDHSA-N -1 1 343.339 2.298 20 5 EEBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H](c2ccsc2)O1 ZINC000193704258 278692111 /nfs/dbraw/zinc/69/21/11/278692111.db2.gz PIUKOHLUYOASHP-RNCFNFMXSA-N -1 1 349.368 2.359 20 5 EEBDMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)O ZINC000293868573 293314474 /nfs/dbraw/zinc/31/44/74/293314474.db2.gz SJQASNUIIQXXCI-SNVBAGLBSA-N -1 1 336.797 2.076 20 5 EEBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ccc2c(n1)CCC2 ZINC000296685079 294040102 /nfs/dbraw/zinc/04/01/02/294040102.db2.gz 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ZINC000185745758 160047468 /nfs/dbraw/zinc/04/74/68/160047468.db2.gz QIIGMFKVJDCFCS-SECBINFHSA-N -1 1 335.291 2.032 20 5 EEBDMM CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])n[nH]1 ZINC000278006321 269205982 /nfs/dbraw/zinc/20/59/82/269205982.db2.gz XEAMJTAGVYSPBL-DTWKUNHWSA-N -1 1 333.348 2.423 20 5 EEBDMM O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445018215 315337824 /nfs/dbraw/zinc/33/78/24/315337824.db2.gz IHMVDNHRYIECQI-KCJUWKMLSA-N -1 1 335.266 2.260 20 5 EEBDMM O=C([O-])C[C@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000577286071 320247198 /nfs/dbraw/zinc/24/71/98/320247198.db2.gz NLKANKGYIKVMKB-GFCCVEGCSA-N -1 1 332.316 2.084 20 5 EEBDMM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000336865049 465058476 /nfs/dbraw/zinc/05/84/76/465058476.db2.gz ISYIJTJUHOLWNB-UHFFFAOYSA-N -1 1 336.325 2.402 20 5 EEBDMM O=C([O-])CCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000070638167 463377744 /nfs/dbraw/zinc/37/77/44/463377744.db2.gz OILDDGWYYWYMIA-UHFFFAOYSA-N -1 1 347.293 2.210 20 5 EEBDMM CCn1ccnc1[C@H]1CCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000281740110 464567103 /nfs/dbraw/zinc/56/71/03/464567103.db2.gz JGZJCLHFUZNDQL-GFCCVEGCSA-N -1 1 345.359 2.279 20 5 EEBDMM CCC1(CC)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCS1 ZINC000274461353 464745915 /nfs/dbraw/zinc/74/59/15/464745915.db2.gz LDEIGXUOHRIEMT-UHFFFAOYSA-N -1 1 325.390 2.443 20 5 EEBDMM C[C@@H](CC(C)(C)O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000295293601 464778173 /nfs/dbraw/zinc/77/81/73/464778173.db2.gz GTBGPFMWWYBTPS-QMMMGPOBSA-N -1 1 336.797 2.076 20 5 EEBDMM Cc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000316298598 466570794 /nfs/dbraw/zinc/57/07/94/466570794.db2.gz LLLLPOSDYNCNEP-UHFFFAOYSA-N -1 1 342.354 2.464 20 5 EEBDMM C[C@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000377127492 467035341 /nfs/dbraw/zinc/03/53/41/467035341.db2.gz HIRPPYKGKOXVSM-FUXBKTLASA-N -1 1 333.275 2.087 20 5 EEBDMM O=C([O-])c1cc(N[C@H]2CCCC[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000519763661 468207201 /nfs/dbraw/zinc/20/72/01/468207201.db2.gz CRTDCPGPOXHQTK-GOEBONIOSA-N -1 1 349.387 2.348 20 5 EEBDMM O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738174729 578002537 /nfs/dbraw/zinc/00/25/37/578002537.db2.gz MDHXWRMATYVGDX-UHFFFAOYSA-N -1 1 345.706 2.076 20 5 EEBDMM O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738174729 578002538 /nfs/dbraw/zinc/00/25/38/578002538.db2.gz MDHXWRMATYVGDX-UHFFFAOYSA-N -1 1 345.706 2.076 20 5 EEBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000758172339 577617574 /nfs/dbraw/zinc/61/75/74/577617574.db2.gz HHJIVXOTQRLGHV-MRVPVSSYSA-N -1 1 328.371 2.401 20 5 EEBDMM C[C@@]1(c2ccccc2)C[C@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820633417 606711571 /nfs/dbraw/zinc/71/15/71/606711571.db2.gz BDPCHBLHEYEOMH-WBMJQRKESA-N -1 1 337.343 2.312 20 5 EEBDMM C[C@@]1(c2ccccc2)C[C@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820633417 606711572 /nfs/dbraw/zinc/71/15/72/606711572.db2.gz BDPCHBLHEYEOMH-WBMJQRKESA-N -1 1 337.343 2.312 20 5 EEBDMM C[C@]1(c2ccccc2)C[C@@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820633414 606711853 /nfs/dbraw/zinc/71/18/53/606711853.db2.gz BDPCHBLHEYEOMH-BLLLJJGKSA-N -1 1 337.343 2.312 20 5 EEBDMM C[C@]1(c2ccccc2)C[C@@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820633414 606711854 /nfs/dbraw/zinc/71/18/54/606711854.db2.gz BDPCHBLHEYEOMH-BLLLJJGKSA-N -1 1 337.343 2.312 20 5 EEBDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000018707256 683071664 /nfs/dbraw/zinc/07/16/64/683071664.db2.gz VTCODWWDTOBZSS-UHFFFAOYSA-N -1 1 335.341 2.180 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[C@H]2CCOC2)cc1F ZINC000867366823 1286903528 /nfs/dbraw/zinc/90/35/28/1286903528.db2.gz GSSDVHFADVJADS-NSHDSACASA-N -1 1 346.380 2.137 20 5 EEBDMM CCOC(=O)N1CCC[C@H](Oc2nc(C)cc([O-])c2[N+](=O)[O-])C1 ZINC001231261281 1303709283 /nfs/dbraw/zinc/70/92/83/1303709283.db2.gz ZXAJNGOMTXSMLP-JTQLQIEISA-N -1 1 325.321 2.004 20 5 EEBDMM COC(=O)[C@H]1C[C@@H](Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C1 ZINC001234881266 1305045526 /nfs/dbraw/zinc/04/55/26/1305045526.db2.gz NMVHPRDFLASSGW-WRXNHJIOSA-N -1 1 346.133 2.393 20 5 EEBDMM Cc1c(C)c(N2CCC([N-]C(=O)C(F)(F)F)CC2)ncc1[N+](=O)[O-] ZINC001166894399 1321811328 /nfs/dbraw/zinc/81/13/28/1321811328.db2.gz QHPJYDKRSDDMAD-UHFFFAOYSA-N -1 1 346.309 2.254 20 5 EEBDMM CC(=O)N1CCC(n2nccc2Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC001210396411 1325264013 /nfs/dbraw/zinc/26/40/13/1325264013.db2.gz QYSWFYDIEGSNEP-UHFFFAOYSA-N -1 1 345.359 2.424 20 5 EEBDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C(=O)[O-])C1CCCCC1 ZINC001607708977 1351543825 /nfs/dbraw/zinc/54/38/25/1351543825.db2.gz DIAPPQWWVAFTSJ-MRXNPFEDSA-N -1 1 349.387 2.465 20 5 EEBDMM CC(C)[C@@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS1 ZINC001609091362 1351839028 /nfs/dbraw/zinc/83/90/28/1351839028.db2.gz JUHJDRYTOXWLDX-LBPRGKRZSA-N -1 1 334.405 2.353 20 5 EEBDMM CC(C)[C@@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCS1 ZINC001609091362 1351839029 /nfs/dbraw/zinc/83/90/29/1351839029.db2.gz JUHJDRYTOXWLDX-LBPRGKRZSA-N -1 1 334.405 2.353 20 5 EEBDMM CCc1noc(C)c1CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609256283 1351912240 /nfs/dbraw/zinc/91/22/40/1351912240.db2.gz XAABSINYYSAPMA-UHFFFAOYSA-N -1 1 329.320 2.246 20 5 EEBDMM CCc1noc(C)c1CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609256283 1351912241 /nfs/dbraw/zinc/91/22/41/1351912241.db2.gz XAABSINYYSAPMA-UHFFFAOYSA-N -1 1 329.320 2.246 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CC12CCSCC2 ZINC001609599606 1352030335 /nfs/dbraw/zinc/03/03/35/1352030335.db2.gz NYPHKSJGCOMLFR-SECBINFHSA-N -1 1 347.404 2.115 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CC12CCSCC2 ZINC001609599606 1352030340 /nfs/dbraw/zinc/03/03/40/1352030340.db2.gz NYPHKSJGCOMLFR-SECBINFHSA-N -1 1 347.404 2.115 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCC(OC3CCC3)CC2)cc1-c1nnn[n-]1 ZINC001609601194 1352030790 /nfs/dbraw/zinc/03/07/90/1352030790.db2.gz FMKHESVNMOYFDX-UHFFFAOYSA-N -1 1 344.375 2.313 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCC(OC3CCC3)CC2)cc1-c1nn[n-]n1 ZINC001609601194 1352030795 /nfs/dbraw/zinc/03/07/95/1352030795.db2.gz FMKHESVNMOYFDX-UHFFFAOYSA-N -1 1 344.375 2.313 20 5 EEBDMM O=C([O-])[C@H]1[C@@H]2CN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC001610803540 1352277717 /nfs/dbraw/zinc/27/77/17/1352277717.db2.gz BUKUABWDJTWTRD-WDNDVIMCSA-N -1 1 329.312 2.012 20 5 EEBDMM CC(C)O[C@H]1CCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001589739243 1349026797 /nfs/dbraw/zinc/02/67/97/1349026797.db2.gz HNRBWJKPBDTSAI-VIFPVBQESA-N -1 1 338.393 2.230 20 5 EEBDMM CC(C)O[C@H]1CCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001589739243 1349026800 /nfs/dbraw/zinc/02/68/00/1349026800.db2.gz HNRBWJKPBDTSAI-VIFPVBQESA-N -1 1 338.393 2.230 20 5 EEBDMM CC1(C)C[C@@H](CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001590080299 1349141511 /nfs/dbraw/zinc/14/15/11/1349141511.db2.gz LKWPGGCYOUOBJK-QMMMGPOBSA-N -1 1 338.393 2.454 20 5 EEBDMM CC1(C)C[C@@H](CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001590080299 1349141512 /nfs/dbraw/zinc/14/15/12/1349141512.db2.gz LKWPGGCYOUOBJK-QMMMGPOBSA-N -1 1 338.393 2.454 20 5 EEBDMM CC[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC001590868549 1349407296 /nfs/dbraw/zinc/40/72/96/1349407296.db2.gz AFHGTDLLGLSWIE-ZDUSSCGKSA-N -1 1 325.332 2.155 20 5 EEBDMM CC[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001590868549 1349407297 /nfs/dbraw/zinc/40/72/97/1349407297.db2.gz AFHGTDLLGLSWIE-ZDUSSCGKSA-N -1 1 325.332 2.155 20 5 EEBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1cc(-c2nnn[n-]2)ncn1 ZINC001591974241 1349573244 /nfs/dbraw/zinc/57/32/44/1349573244.db2.gz KJEHIANIAOIDPG-UHFFFAOYSA-N -1 1 333.695 2.319 20 5 EEBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1cc(-c2nn[n-]n2)ncn1 ZINC001591974241 1349573249 /nfs/dbraw/zinc/57/32/49/1349573249.db2.gz KJEHIANIAOIDPG-UHFFFAOYSA-N -1 1 333.695 2.319 20 5 EEBDMM O=[N+]([O-])c1c(N[C@H]2COCc3ccccc32)cccc1-c1nnn[n-]1 ZINC001593465774 1349803312 /nfs/dbraw/zinc/80/33/12/1349803312.db2.gz SFHQMPSJKBGUHK-AWEZNQCLSA-N -1 1 338.327 2.458 20 5 EEBDMM O=[N+]([O-])c1c(N[C@H]2COCc3ccccc32)cccc1-c1nn[n-]n1 ZINC001593465774 1349803316 /nfs/dbraw/zinc/80/33/16/1349803316.db2.gz SFHQMPSJKBGUHK-AWEZNQCLSA-N -1 1 338.327 2.458 20 5 EEBDMM O=[N+]([O-])c1c(NCCOc2ccccc2F)cccc1-c1nnn[n-]1 ZINC001593466090 1349804113 /nfs/dbraw/zinc/80/41/13/1349804113.db2.gz WTVPQVUZNHKJMA-UHFFFAOYSA-N -1 1 344.306 2.405 20 5 EEBDMM O=[N+]([O-])c1c(NCCOc2ccccc2F)cccc1-c1nn[n-]n1 ZINC001593466090 1349804115 /nfs/dbraw/zinc/80/41/15/1349804115.db2.gz WTVPQVUZNHKJMA-UHFFFAOYSA-N -1 1 344.306 2.405 20 5 EEBDMM O=[N+]([O-])c1c(NCc2cc(Cl)ccn2)cccc1-c1nnn[n-]1 ZINC001593468309 1349805225 /nfs/dbraw/zinc/80/52/25/1349805225.db2.gz CSYMZGQPVPLHOS-UHFFFAOYSA-N -1 1 331.723 2.435 20 5 EEBDMM O=[N+]([O-])c1c(NCc2cc(Cl)ccn2)cccc1-c1nn[n-]n1 ZINC001593468309 1349805228 /nfs/dbraw/zinc/80/52/28/1349805228.db2.gz CSYMZGQPVPLHOS-UHFFFAOYSA-N -1 1 331.723 2.435 20 5 EEBDMM O=C([O-])[C@@H]1C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])Cc2ccccc21 ZINC001601848375 1350380170 /nfs/dbraw/zinc/38/01/70/1350380170.db2.gz MOMQHVNSFFHWNV-OAHLLOKOSA-N -1 1 328.324 2.484 20 5 EEBDMM O=C([O-])[C@@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])Cc2ccccc21 ZINC001601848375 1350380173 /nfs/dbraw/zinc/38/01/73/1350380173.db2.gz MOMQHVNSFFHWNV-OAHLLOKOSA-N -1 1 328.324 2.484 20 5 EEBDMM C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001602985418 1350618715 /nfs/dbraw/zinc/61/87/15/1350618715.db2.gz XXEUUESDXLJJRP-SNQZOLJRSA-N -1 1 345.355 2.304 20 5 EEBDMM C[C@@]1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC001603807145 1350772824 /nfs/dbraw/zinc/77/28/24/1350772824.db2.gz NJSFLJAIGOLTBN-HOCLYGCPSA-N -1 1 344.375 2.392 20 5 EEBDMM C[C@@]1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC001603807145 1350772829 /nfs/dbraw/zinc/77/28/29/1350772829.db2.gz NJSFLJAIGOLTBN-HOCLYGCPSA-N -1 1 344.375 2.392 20 5 EEBDMM CCC[C@@H](CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])OCC ZINC001604143678 1350872291 /nfs/dbraw/zinc/87/22/91/1350872291.db2.gz JTCDXVHRYUGQLR-QMMMGPOBSA-N -1 1 326.382 2.454 20 5 EEBDMM CCC[C@@H](CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])OCC ZINC001604143678 1350872296 /nfs/dbraw/zinc/87/22/96/1350872296.db2.gz JTCDXVHRYUGQLR-QMMMGPOBSA-N -1 1 326.382 2.454 20 5 EEBDMM O=Cc1cc(Cl)cc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001607056657 1351405113 /nfs/dbraw/zinc/40/51/13/1351405113.db2.gz HJGUUOPHIINYQJ-UHFFFAOYSA-N -1 1 346.690 2.428 20 5 EEBDMM O=Cc1cc(Cl)cc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001607056657 1351405117 /nfs/dbraw/zinc/40/51/17/1351405117.db2.gz HJGUUOPHIINYQJ-UHFFFAOYSA-N -1 1 346.690 2.428 20 5 EEBDMM O=[N+]([O-])c1cc(F)c(NCc2ccnc(-c3nnn[n-]3)c2)c(F)c1 ZINC001607078821 1351408737 /nfs/dbraw/zinc/40/87/37/1351408737.db2.gz OLLRMAOJOCCNOQ-UHFFFAOYSA-N -1 1 333.258 2.060 20 5 EEBDMM O=[N+]([O-])c1cc(F)c(NCc2ccnc(-c3nn[n-]n3)c2)c(F)c1 ZINC001607078821 1351408739 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RCWSAOPRXZSKCD-UHFFFAOYSA-N -1 1 327.300 2.016 20 5 EEBDMM COc1c(C(=O)[N-]c2nc(SC)ns2)cccc1[N+](=O)[O-] ZINC000359076739 164052326 /nfs/dbraw/zinc/05/23/26/164052326.db2.gz ASNFDRZSYAWEMR-UHFFFAOYSA-N -1 1 326.359 2.429 20 5 EEBDMM CCc1nc(C)c(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])o1 ZINC000291898461 275351208 /nfs/dbraw/zinc/35/12/08/275351208.db2.gz IRTBOWPDCWODQJ-UHFFFAOYSA-N -1 1 339.373 2.241 20 5 EEBDMM CC1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]1c1cccnc1 ZINC000293599284 293247907 /nfs/dbraw/zinc/24/79/07/293247907.db2.gz ARAYYSAZYNJWCW-ZDUSSCGKSA-N -1 1 328.328 2.314 20 5 EEBDMM CC[C@@H](O)CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000443233220 315234782 /nfs/dbraw/zinc/23/47/82/315234782.db2.gz IBKRWNNVIQFWIH-SECBINFHSA-N -1 1 336.797 2.078 20 5 EEBDMM CCSc1cc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccn1 ZINC000445212110 315351782 /nfs/dbraw/zinc/35/17/82/315351782.db2.gz LSKVDFODAPNTGZ-UHFFFAOYSA-N -1 1 334.357 2.132 20 5 EEBDMM COc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c([O-])c1 ZINC000525949082 317096054 /nfs/dbraw/zinc/09/60/54/317096054.db2.gz QQTBLFBACKSSPJ-UHFFFAOYSA-N -1 1 332.268 2.290 20 5 EEBDMM O=C([O-])C[C@@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000577286072 320247041 /nfs/dbraw/zinc/24/70/41/320247041.db2.gz NLKANKGYIKVMKB-LBPRGKRZSA-N -1 1 332.316 2.084 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000339039427 465042364 /nfs/dbraw/zinc/04/23/64/465042364.db2.gz CQRFKOQTRGSPAR-SNVBAGLBSA-N -1 1 330.410 2.058 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](c2ccncc2)C1 ZINC000579017260 468298083 /nfs/dbraw/zinc/29/80/83/468298083.db2.gz UDZNSXBAYDBNMR-GFCCVEGCSA-N -1 1 328.328 2.110 20 5 EEBDMM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@H](c2ccccc2)O1 ZINC000130974675 462785315 /nfs/dbraw/zinc/78/53/15/462785315.db2.gz GZFRCOONJUVBOF-IAQYHMDHSA-N -1 1 343.339 2.298 20 5 EEBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000066637548 462915475 /nfs/dbraw/zinc/91/54/75/462915475.db2.gz IQKNSPXJJWJYBJ-UHFFFAOYSA-N -1 1 333.373 2.422 20 5 EEBDMM COCCC1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCCC1 ZINC000194031731 463776082 /nfs/dbraw/zinc/77/60/82/463776082.db2.gz JMKNBRQQHVUHDH-UHFFFAOYSA-N -1 1 337.376 2.412 20 5 EEBDMM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185807953 463883117 /nfs/dbraw/zinc/88/31/17/463883117.db2.gz VBLIONBDWVCIJP-CMPLNLGQSA-N -1 1 325.390 2.490 20 5 EEBDMM CCOC1CC(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000188296878 464246911 /nfs/dbraw/zinc/24/69/11/464246911.db2.gz FEHWVBLDLWIKLP-UHFFFAOYSA-N -1 1 346.380 2.217 20 5 EEBDMM Cc1cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc([N+](=O)[O-])c1 ZINC000361015813 465706374 /nfs/dbraw/zinc/70/63/74/465706374.db2.gz VSLSGGSOQOJVPV-UHFFFAOYSA-N -1 1 332.316 2.012 20 5 EEBDMM Cc1cccc(OC[C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000302990118 466215673 /nfs/dbraw/zinc/21/56/73/466215673.db2.gz LCYZOFLZNLTYRX-LLVKDONJSA-N -1 1 331.328 2.201 20 5 EEBDMM COc1ccc(CC[C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000303085138 466221435 /nfs/dbraw/zinc/22/14/35/466221435.db2.gz XGOJNKPKJRZZEF-NSHDSACASA-N -1 1 345.355 2.455 20 5 EEBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cs1 ZINC000318769330 466590654 /nfs/dbraw/zinc/59/06/54/466590654.db2.gz GBCXBFZAGXFGQK-UHFFFAOYSA-N -1 1 346.317 2.294 20 5 EEBDMM O=C(c1ccc([O-])cc1F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373345268 466773122 /nfs/dbraw/zinc/77/31/22/466773122.db2.gz PRYNSCRNVJINBH-UHFFFAOYSA-N -1 1 334.307 2.113 20 5 EEBDMM CN(Cc1cccc2[nH]ccc21)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000428034386 467196868 /nfs/dbraw/zinc/19/68/68/467196868.db2.gz CPMHWBOOPBOTQC-UHFFFAOYSA-N -1 1 326.312 2.449 20 5 EEBDMM C[C@@H](CCCc1cccnc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000457949040 467737460 /nfs/dbraw/zinc/73/74/60/467737460.db2.gz UKEZPDJPSFLHME-NSHDSACASA-N -1 1 330.344 2.232 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)CC2CCCCC2)c([N+](=O)[O-])n1 ZINC000487348049 468033503 /nfs/dbraw/zinc/03/35/03/468033503.db2.gz ASBWTLGTTQMOGE-LLVKDONJSA-N -1 1 344.437 2.448 20 5 EEBDMM O=C([O-])c1cc(N[C@@H]2CCCC[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000519763653 468207020 /nfs/dbraw/zinc/20/70/20/468207020.db2.gz CRTDCPGPOXHQTK-GDBMZVCRSA-N -1 1 349.387 2.348 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1Cc2ccccc2C(F)(F)C1 ZINC000610925700 469113497 /nfs/dbraw/zinc/11/34/97/469113497.db2.gz DTOXHPRPKYVSFK-UHFFFAOYSA-N -1 1 335.266 2.443 20 5 EEBDMM O=C(Nc1ccc(-c2nnc[nH]2)cc1F)c1cccc([N+](=O)[O-])c1[O-] ZINC000619252759 469558914 /nfs/dbraw/zinc/55/89/14/469558914.db2.gz FMUUXEMRHFZPIV-UHFFFAOYSA-N -1 1 343.274 2.477 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000618359549 469975635 /nfs/dbraw/zinc/97/56/35/469975635.db2.gz IRTPZFYPBJAATE-CYBMUJFWSA-N -1 1 329.312 2.378 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CCc2ccccc2C1 ZINC000610264376 469996494 /nfs/dbraw/zinc/99/64/94/469996494.db2.gz SSHOFPHUPLRVOQ-GFCCVEGCSA-N -1 1 347.396 2.073 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCCOc2ccccc21 ZINC000610262299 469996539 /nfs/dbraw/zinc/99/65/39/469996539.db2.gz APPYYQKGDARBQM-LBPRGKRZSA-N -1 1 349.368 2.182 20 5 EEBDMM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2nc(C3CC3)no2)cc1[N+](=O)[O-] ZINC000734877949 577333191 /nfs/dbraw/zinc/33/31/91/577333191.db2.gz BKKXCQSQQHVHNL-UHFFFAOYSA-N -1 1 333.260 2.324 20 5 EEBDMM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000774797519 577418615 /nfs/dbraw/zinc/41/86/15/577418615.db2.gz JNJMWUBZTCMEIB-JOYOIKCWSA-N -1 1 348.808 2.342 20 5 EEBDMM COc1ccc(C)cc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768806246 577562936 /nfs/dbraw/zinc/56/29/36/577562936.db2.gz UUSOMDHSCXJCRC-UHFFFAOYSA-N -1 1 342.398 2.452 20 5 EEBDMM COC(=O)c1cccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000769048727 577568055 /nfs/dbraw/zinc/56/80/55/577568055.db2.gz RHLJYSDXYWTDOV-UHFFFAOYSA-N -1 1 331.280 2.444 20 5 EEBDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000759993655 577655602 /nfs/dbraw/zinc/65/56/02/577655602.db2.gz CWVSCQNQILTJHX-UHFFFAOYSA-N -1 1 344.371 2.495 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826499403 607552496 /nfs/dbraw/zinc/55/24/96/607552496.db2.gz HORKRONRQYJDTA-UHFFFAOYSA-N -1 1 332.707 2.402 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826499403 607552498 /nfs/dbraw/zinc/55/24/98/607552498.db2.gz HORKRONRQYJDTA-UHFFFAOYSA-N -1 1 332.707 2.402 20 5 EEBDMM CC(C)c1[nH]nc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1[N+](=O)[O-] ZINC000827097441 604892690 /nfs/dbraw/zinc/89/26/90/604892690.db2.gz OPMDCUAHRZKOQG-UHFFFAOYSA-N -1 1 344.327 2.296 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCSC2)cc1F ZINC000866918071 686539659 /nfs/dbraw/zinc/53/96/59/686539659.db2.gz CYXIERQYXPCDJX-SECBINFHSA-N -1 1 334.394 2.216 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@H](O)C1 ZINC000121782930 1201665862 /nfs/dbraw/zinc/66/58/62/1201665862.db2.gz WMNIHTDHOJAIGB-ONGXEEELSA-N -1 1 348.808 2.078 20 5 EEBDMM Cc1noc([C@H](C)[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC000777971881 1206612665 /nfs/dbraw/zinc/61/26/65/1206612665.db2.gz NTRGQJMODQDRQC-ZETCQYMHSA-N -1 1 326.259 2.255 20 5 EEBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cccc(C3OCCO3)c2)no1 ZINC001212892896 1214379444 /nfs/dbraw/zinc/37/94/44/1214379444.db2.gz BDAZEQKNOYSNOC-UHFFFAOYSA-N -1 1 329.272 2.080 20 5 EEBDMM O=C1C[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])CN1Cc1ccccc1 ZINC001229394702 1302761625 /nfs/dbraw/zinc/76/16/25/1302761625.db2.gz BAAUCEVOIMKWIM-AWEZNQCLSA-N -1 1 328.324 2.480 20 5 EEBDMM O=C1OCC[C@@H]1Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234744878 1305017247 /nfs/dbraw/zinc/01/72/47/1305017247.db2.gz PLDNMGYGLUCFCY-LBPRGKRZSA-N -1 1 328.276 2.052 20 5 EEBDMM COCC[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000841554094 1315576252 /nfs/dbraw/zinc/57/62/52/1315576252.db2.gz KBLXLLPVRSGMRC-VIFPVBQESA-N -1 1 336.797 2.199 20 5 EEBDMM C[C@H]1CN(CCc2nnc(-c3ccc([N+](=O)[O-])cc3[O-])o2)C[C@H](C)O1 ZINC001258146509 1319189890 /nfs/dbraw/zinc/18/98/90/1319189890.db2.gz NYZAPZVKSQUJAX-QWRGUYRKSA-N -1 1 348.359 2.002 20 5 EEBDMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001602194470 1350462499 /nfs/dbraw/zinc/46/24/99/1350462499.db2.gz NXQPSTBYNRSGOI-HERUPUMHSA-N -1 1 334.328 2.158 20 5 EEBDMM O=C([O-])COc1ccc(CNCc2cccc(O)c2)cc1[N+](=O)[O-] ZINC001608759306 1351756890 /nfs/dbraw/zinc/75/68/90/1351756890.db2.gz GMBQWBCNEDSOHD-UHFFFAOYSA-N -1 1 332.312 2.054 20 5 EEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC001608914592 1351792666 /nfs/dbraw/zinc/79/26/66/1351792666.db2.gz ZCZNOQVWLBOSJM-LBPRGKRZSA-N -1 1 330.344 2.396 20 5 EEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H](n3ccnc3)C2)c1 ZINC001608914455 1351793116 /nfs/dbraw/zinc/79/31/16/1351793116.db2.gz ROYZGMCLMGJSNL-AWEZNQCLSA-N -1 1 330.344 2.327 20 5 EEBDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])cc2O)cc([N+](=O)[O-])c1 ZINC001320163936 1332841621 /nfs/dbraw/zinc/84/16/21/1332841621.db2.gz YWPCHHAVTITKGG-UHFFFAOYSA-N -1 1 331.280 2.354 20 5 EEBDMM CCn1nc(C)c(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1C ZINC001609259947 1351914281 /nfs/dbraw/zinc/91/42/81/1351914281.db2.gz ZPRJXPQIWIPKGI-UHFFFAOYSA-N -1 1 328.336 2.352 20 5 EEBDMM O=[N+]([O-])c1ccc2[nH]c(NCc3ccc(-c4nn[n-]n4)s3)nc2c1 ZINC001582804063 1344793318 /nfs/dbraw/zinc/79/33/18/1344793318.db2.gz HPTZXUAITIOZHJ-UHFFFAOYSA-N -1 1 342.344 2.325 20 5 EEBDMM CCn1cc([C@@H](C)Nc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)cn1 ZINC001590951532 1349421629 /nfs/dbraw/zinc/42/16/29/1349421629.db2.gz BVAJJBCQSPITOX-SNVBAGLBSA-N -1 1 342.363 2.473 20 5 EEBDMM CCn1cc([C@@H](C)Nc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)cn1 ZINC001590951532 1349421633 /nfs/dbraw/zinc/42/16/33/1349421633.db2.gz BVAJJBCQSPITOX-SNVBAGLBSA-N -1 1 342.363 2.473 20 5 EEBDMM Cc1cc(NCC2(C)CCOCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592042415 1349587259 /nfs/dbraw/zinc/58/72/59/1349587259.db2.gz FAMOEFXNUQEMKN-UHFFFAOYSA-N -1 1 332.364 2.312 20 5 EEBDMM Cc1cc(NCC2(C)CCOCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592042415 1349587263 /nfs/dbraw/zinc/58/72/63/1349587263.db2.gz FAMOEFXNUQEMKN-UHFFFAOYSA-N -1 1 332.364 2.312 20 5 EEBDMM Cn1ncc2c1CCC[C@H]2Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001592603790 1349667985 /nfs/dbraw/zinc/66/79/85/1349667985.db2.gz VCNQKZLPYWDYBO-MRVPVSSYSA-N -1 1 346.376 2.059 20 5 EEBDMM Cn1ncc2c1CCC[C@H]2Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001592603790 1349667989 /nfs/dbraw/zinc/66/79/89/1349667989.db2.gz VCNQKZLPYWDYBO-MRVPVSSYSA-N -1 1 346.376 2.059 20 5 EEBDMM Nc1cc(NC[C@@H]2CCC[C@H]3C[C@H]32)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759862 1349714030 /nfs/dbraw/zinc/71/40/30/1349714030.db2.gz IUIQCAZGBZFZQD-ATZCPNFKSA-N -1 1 329.364 2.205 20 5 EEBDMM Nc1cc(NC[C@@H]2CCC[C@H]3C[C@H]32)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759862 1349714036 /nfs/dbraw/zinc/71/40/36/1349714036.db2.gz IUIQCAZGBZFZQD-ATZCPNFKSA-N -1 1 329.364 2.205 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc2c(c1)CCC2 ZINC001593465706 1349802533 /nfs/dbraw/zinc/80/25/33/1349802533.db2.gz WWJNPICAGCZSPE-UHFFFAOYSA-N -1 1 337.343 2.271 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc2c(c1)CCC2 ZINC001593465706 1349802538 /nfs/dbraw/zinc/80/25/38/1349802538.db2.gz WWJNPICAGCZSPE-UHFFFAOYSA-N -1 1 337.343 2.271 20 5 EEBDMM O=[N+]([O-])c1cc(N2CCC=C(c3ccncc3)C2)ccc1-c1nn[n-]n1 ZINC001593471600 1349806626 /nfs/dbraw/zinc/80/66/26/1349806626.db2.gz ONINCPXUKDIQAA-UHFFFAOYSA-N -1 1 349.354 2.464 20 5 EEBDMM O=[N+]([O-])c1ccccc1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001593485115 1349814874 /nfs/dbraw/zinc/81/48/74/1349814874.db2.gz IDJPMUKMKNVTLF-UHFFFAOYSA-N -1 1 337.752 2.497 20 5 EEBDMM O=[N+]([O-])c1ccccc1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001593485115 1349814880 /nfs/dbraw/zinc/81/48/80/1349814880.db2.gz IDJPMUKMKNVTLF-UHFFFAOYSA-N -1 1 337.752 2.497 20 5 EEBDMM O=C([O-])[C@H]1C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])Cc2ccccc21 ZINC001601848374 1350380010 /nfs/dbraw/zinc/38/00/10/1350380010.db2.gz MOMQHVNSFFHWNV-HNNXBMFYSA-N -1 1 328.324 2.484 20 5 EEBDMM O=C([O-])[C@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])Cc2ccccc21 ZINC001601848374 1350380013 /nfs/dbraw/zinc/38/00/13/1350380013.db2.gz MOMQHVNSFFHWNV-HNNXBMFYSA-N -1 1 328.324 2.484 20 5 EEBDMM CCc1ncc(CNc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)o1 ZINC001604575121 1350963075 /nfs/dbraw/zinc/96/30/75/1350963075.db2.gz MIDTZRKJIWQRID-UHFFFAOYSA-N -1 1 329.320 2.246 20 5 EEBDMM CCc1ncc(CNc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)o1 ZINC001604575121 1350963077 /nfs/dbraw/zinc/96/30/77/1350963077.db2.gz MIDTZRKJIWQRID-UHFFFAOYSA-N -1 1 329.320 2.246 20 5 EEBDMM O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001606928123 1351378129 /nfs/dbraw/zinc/37/81/29/1351378129.db2.gz FGODRONMDVNUAZ-UHFFFAOYSA-N -1 1 334.679 2.274 20 5 EEBDMM O=[N+]([O-])c1cccc(Cn2nnc(-c3ccccc3)c2-c2nn[n-]n2)c1 ZINC001607084662 1351411974 /nfs/dbraw/zinc/41/19/74/1351411974.db2.gz RSEGQHKMDFLYTL-UHFFFAOYSA-N -1 1 348.326 2.082 20 5 EEBDMM Cc1cc(C)c(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000832634150 1372457114 /nfs/dbraw/zinc/45/71/14/1372457114.db2.gz KUJCVJLREOYWSM-UHFFFAOYSA-N -1 1 327.387 2.147 20 5 EEBDMM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000047471449 1404812149 /nfs/dbraw/zinc/81/21/49/1404812149.db2.gz JUQKOOOUHLBZST-UHFFFAOYSA-N -1 1 347.278 2.463 20 5 EEBDMM O=C(OCc1csc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823440252 787749855 /nfs/dbraw/zinc/74/98/55/787749855.db2.gz JVYUBHFUDRQGFJ-UHFFFAOYSA-N -1 1 337.342 2.255 20 5 EEBDMM O=C(OCc1csc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823440252 787749867 /nfs/dbraw/zinc/74/98/67/787749867.db2.gz JVYUBHFUDRQGFJ-UHFFFAOYSA-N -1 1 337.342 2.255 20 5 EEBDMM O=C(NCCCNc1cccc(F)c1[N+](=O)[O-])c1ncccc1[O-] ZINC001094375888 796183696 /nfs/dbraw/zinc/18/36/96/796183696.db2.gz SSNPJJBAKFTOJY-UHFFFAOYSA-N -1 1 334.307 2.067 20 5 EEBDMM Cc1cccc([C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001605327415 973167675 /nfs/dbraw/zinc/16/76/75/973167675.db2.gz CQXVIMBVTYXQRZ-AWEZNQCLSA-N -1 1 330.296 2.165 20 5 EEBDMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000066638441 215062744 /nfs/dbraw/zinc/06/27/44/215062744.db2.gz ZHAGFYOTQURBHQ-UHFFFAOYSA-N -1 1 337.336 2.253 20 5 EEBDMM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187211176 236147078 /nfs/dbraw/zinc/14/70/78/236147078.db2.gz WWLWBPMPYJQQBT-LLVKDONJSA-N -1 1 331.332 2.013 20 5 EEBDMM CCO[C@@H]1C[C@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C12CCC2 ZINC000193727019 240285459 /nfs/dbraw/zinc/28/54/59/240285459.db2.gz OFYFLJZNSKEOIN-QWHCGFSZSA-N -1 1 335.360 2.115 20 5 EEBDMM O=C(N[C@H]1CCCOc2c(F)cccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193871665 284176552 /nfs/dbraw/zinc/17/65/52/284176552.db2.gz QQLISDWXCFWGIY-LBPRGKRZSA-N -1 1 347.302 2.478 20 5 EEBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000171415344 533481933 /nfs/dbraw/zinc/48/19/33/533481933.db2.gz VDPYHFWIFZQEKM-SSDOTTSWSA-N -1 1 349.206 2.434 20 5 EEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000154284034 296496184 /nfs/dbraw/zinc/49/61/84/296496184.db2.gz LQWGDBBPGYQWFJ-NILFDRSVSA-N -1 1 348.355 2.351 20 5 EEBDMM O=C([N-]C[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000289599217 275131260 /nfs/dbraw/zinc/13/12/60/275131260.db2.gz XRJDUCDRDZAJGJ-GFCCVEGCSA-N -1 1 345.321 2.485 20 5 EEBDMM CSCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290343329 275199686 /nfs/dbraw/zinc/19/96/86/275199686.db2.gz BTOSZDRYTMAETQ-UHFFFAOYSA-N -1 1 342.801 2.419 20 5 EEBDMM CSC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290698322 275231022 /nfs/dbraw/zinc/23/10/22/275231022.db2.gz IIVFZKQGQUZPAE-LURJTMIESA-N -1 1 342.801 2.417 20 5 EEBDMM Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2CO)ccc1[N+](=O)[O-] ZINC000179263319 311446651 /nfs/dbraw/zinc/44/66/51/311446651.db2.gz LTPQDWRCSFDZMB-UHFFFAOYSA-N -1 1 340.332 2.335 20 5 EEBDMM CS(=O)(=O)[N-]c1ccc(Oc2ncc(Cl)cc2[N+](=O)[O-])cn1 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ZINC000371821546 466017992 /nfs/dbraw/zinc/01/79/92/466017992.db2.gz APHMYAZMMHQCSV-UHFFFAOYSA-N -1 1 325.284 2.338 20 5 EEBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nc2n(n1)CCCC2 ZINC000457122110 467759433 /nfs/dbraw/zinc/75/94/33/467759433.db2.gz LQKZLVOFUWCKQG-UHFFFAOYSA-N -1 1 331.332 2.174 20 5 EEBDMM C[C@H](COCC1CC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000593654421 469081644 /nfs/dbraw/zinc/08/16/44/469081644.db2.gz XFMVPTICGHVDIP-SECBINFHSA-N -1 1 348.808 2.342 20 5 EEBDMM COc1ccccc1C(C)(C)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618368294 469976716 /nfs/dbraw/zinc/97/67/16/469976716.db2.gz VKRVBUCNDVRNRH-UHFFFAOYSA-N -1 1 345.355 2.412 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(Cl)s1 ZINC000610260476 469996068 /nfs/dbraw/zinc/99/60/68/469996068.db2.gz FAIFTLWEYQLRTN-UHFFFAOYSA-N -1 1 333.778 2.183 20 5 EEBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000773495732 577346504 /nfs/dbraw/zinc/34/65/04/577346504.db2.gz HIPPJHFSOBXMOY-UTCJRWHESA-N -1 1 344.327 2.103 20 5 EEBDMM Cn1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000748070379 577954514 /nfs/dbraw/zinc/95/45/14/577954514.db2.gz XYGTWPAJOCPHSH-UHFFFAOYSA-N -1 1 329.765 2.065 20 5 EEBDMM C[C@@H]1C[C@@H]1Nc1cc(N[C@H]2C[C@@H]2C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000820674711 599520561 /nfs/dbraw/zinc/52/05/61/599520561.db2.gz GHVPPYVFSIPUJJ-ULCXWNMLSA-N -1 1 329.364 2.416 20 5 EEBDMM C[C@@H]1C[C@@H]1Nc1cc(N[C@H]2C[C@@H]2C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000820674711 599520562 /nfs/dbraw/zinc/52/05/62/599520562.db2.gz GHVPPYVFSIPUJJ-ULCXWNMLSA-N -1 1 329.364 2.416 20 5 EEBDMM Cc1cc(C)n(CCCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)n1 ZINC000826265390 607448419 /nfs/dbraw/zinc/44/84/19/607448419.db2.gz XCXFZIZAEAOESU-UHFFFAOYSA-N -1 1 342.363 2.090 20 5 EEBDMM Cc1cc(C)n(CCCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)n1 ZINC000826265390 607448420 /nfs/dbraw/zinc/44/84/20/607448420.db2.gz XCXFZIZAEAOESU-UHFFFAOYSA-N -1 1 342.363 2.090 20 5 EEBDMM O=C(c1ncccc1[O-])N1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001057127426 1241906098 /nfs/dbraw/zinc/90/60/98/1241906098.db2.gz SWIOCYXBCDSMRN-UHFFFAOYSA-N -1 1 342.355 2.048 20 5 EEBDMM O=C(c1ncccc1[O-])N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001057314118 1243228542 /nfs/dbraw/zinc/22/85/42/1243228542.db2.gz KECPYRDQUPPWJQ-UHFFFAOYSA-N -1 1 342.355 2.412 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCO[C@@H](C)C2)cc1F ZINC000867047401 1280174512 /nfs/dbraw/zinc/17/45/12/1280174512.db2.gz OKKJCAZITHTPGX-QWRGUYRKSA-N -1 1 346.380 2.136 20 5 EEBDMM CCCOC[C@H](C)Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-] ZINC001226310790 1301347460 /nfs/dbraw/zinc/34/74/60/1301347460.db2.gz QNGJXBHHBKYSGH-VIFPVBQESA-N -1 1 328.321 2.066 20 5 EEBDMM O=C1[N-]C(=O)[C@H](Cc2ccc(O[C@@H](C[N+](=O)[O-])C3CC3)cc2)S1 ZINC001229626592 1302899628 /nfs/dbraw/zinc/89/96/28/1302899628.db2.gz TWPVFPILJIRGKA-STQMWFEESA-N -1 1 336.369 2.015 20 5 EEBDMM COC(=O)[C@H](Cc1ccccc1)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231259884 1303708183 /nfs/dbraw/zinc/70/81/83/1303708183.db2.gz PYEWKGHSXXBQSB-ZDUSSCGKSA-N -1 1 332.312 2.167 20 5 EEBDMM CSCCCCCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000784373402 1304476210 /nfs/dbraw/zinc/47/62/10/1304476210.db2.gz NPMHAUTWVIQVPE-UHFFFAOYSA-N -1 1 333.435 2.192 20 5 EEBDMM O=C([N-]CCNc1ccc2ncccc2c1[N+](=O)[O-])C(F)(F)F ZINC001164245914 1321329250 /nfs/dbraw/zinc/32/92/50/1321329250.db2.gz DITTVWAWIJGMFB-UHFFFAOYSA-N -1 1 328.250 2.233 20 5 EEBDMM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1noc(C)n1 ZINC001309274105 1331624216 /nfs/dbraw/zinc/62/42/16/1331624216.db2.gz FDYVQSPWPQOLCK-LLVKDONJSA-N -1 1 340.361 2.024 20 5 EEBDMM CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001309611561 1331635652 /nfs/dbraw/zinc/63/56/52/1331635652.db2.gz HKQQPESGDXLAKN-MWLCHTKSSA-N -1 1 348.396 2.118 20 5 EEBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@]12C[C@@H]1CCCC2 ZINC001309758635 1331641217 /nfs/dbraw/zinc/64/12/17/1331641217.db2.gz PJZBZGYJATZEOR-COPLHBTASA-N 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ZINC001593476243 1349809273 /nfs/dbraw/zinc/80/92/73/1349809273.db2.gz VGYQKDMJNGSKTE-UHFFFAOYSA-N -1 1 332.707 2.402 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)c(COc2cccnc2-c2nn[n-]n2)c1 ZINC001593476243 1349809277 /nfs/dbraw/zinc/80/92/77/1349809277.db2.gz VGYQKDMJNGSKTE-UHFFFAOYSA-N -1 1 332.707 2.402 20 5 EEBDMM O=[N+]([O-])c1cn(Cc2csc(C3CCCC3)n2)nc1-c1nn[n-]n1 ZINC001593486444 1349815595 /nfs/dbraw/zinc/81/55/95/1349815595.db2.gz SUKGEANWEGUMKP-UHFFFAOYSA-N -1 1 346.376 2.134 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1Sc1cccc(CO)c1 ZINC001593488696 1349815808 /nfs/dbraw/zinc/81/58/08/1349815808.db2.gz RNQLMRNFNJNKGM-UHFFFAOYSA-N -1 1 335.370 2.480 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1Sc1cccc(CO)c1 ZINC001593488696 1349815812 /nfs/dbraw/zinc/81/58/12/1349815812.db2.gz RNQLMRNFNJNKGM-UHFFFAOYSA-N -1 1 335.370 2.480 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCC[C@H]1CCCC[C@H]1O ZINC001593489066 1349816284 /nfs/dbraw/zinc/81/62/84/1349816284.db2.gz UODNXCKMSNTSCU-PSASIEDQSA-N -1 1 338.393 2.190 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCC[C@H]1CCCC[C@H]1O ZINC001593489066 1349816286 /nfs/dbraw/zinc/81/62/86/1349816286.db2.gz UODNXCKMSNTSCU-PSASIEDQSA-N -1 1 338.393 2.190 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCc1ccc2c(c1)CCO2 ZINC001593489262 1349816830 /nfs/dbraw/zinc/81/68/30/1349816830.db2.gz YJHFFIMMAZMQDX-UHFFFAOYSA-N -1 1 344.356 2.383 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCc1ccc2c(c1)CCO2 ZINC001593489262 1349816835 /nfs/dbraw/zinc/81/68/35/1349816835.db2.gz YJHFFIMMAZMQDX-UHFFFAOYSA-N -1 1 344.356 2.383 20 5 EEBDMM O=C([O-])c1ccc(OC(=O)c2ccc3cncn3c2)cc1[N+](=O)[O-] ZINC001602621353 1350559639 /nfs/dbraw/zinc/55/96/39/1350559639.db2.gz NGLLYJYTTBNNMT-UHFFFAOYSA-N -1 1 327.252 2.160 20 5 EEBDMM C[C@H](c1cccc(Cl)c1F)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001603734949 1350754122 /nfs/dbraw/zinc/75/41/22/1350754122.db2.gz LEWPGSFDFBPYEA-ZCFIWIBFSA-N -1 1 337.702 2.373 20 5 EEBDMM CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCCO1 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CFPYQYGVDFVLMW-UHFFFAOYSA-N -1 1 341.776 2.430 20 5 EEBDMM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000237937797 774417079 /nfs/dbraw/zinc/41/70/79/774417079.db2.gz XZNRQVVWRULUHM-JTQLQIEISA-N -1 1 346.343 2.331 20 5 EEBDMM Cn1nc(C(=O)[O-])cc1CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001605539113 973734889 /nfs/dbraw/zinc/73/48/89/973734889.db2.gz SWSCUNKHHVLFSB-CYBMUJFWSA-N -1 1 344.371 2.406 20 5 EEBDMM C[C@@](CO)(NCc1ccc(C(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC001592749568 979304630 /nfs/dbraw/zinc/30/46/30/979304630.db2.gz HAXNHHUEVKACFP-KRWDZBQOSA-N -1 1 330.340 2.290 20 5 EEBDMM C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ncc(C(=O)[O-])s1 ZINC001593246676 994457094 /nfs/dbraw/zinc/45/70/94/994457094.db2.gz NPJWNVNTCLQIJY-GZMMTYOYSA-N -1 1 337.357 2.134 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCN(c2ccccc2)CC1 ZINC000193441411 240165274 /nfs/dbraw/zinc/16/52/74/240165274.db2.gz BMFNCXOGGXYJLY-UHFFFAOYSA-N -1 1 342.355 2.048 20 5 EEBDMM Cc1ccccc1O[C@H](C)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193634514 240245470 /nfs/dbraw/zinc/24/54/70/240245470.db2.gz YZSXXCLOUQJWQW-LLVKDONJSA-N -1 1 331.328 2.201 20 5 EEBDMM CCOC(=O)c1nc(C)[nH]c1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000491934041 246222787 /nfs/dbraw/zinc/22/27/87/246222787.db2.gz DGBFIKMRQOWMSO-TWGQIWQCSA-N -1 1 344.327 2.455 20 5 EEBDMM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000276412286 256429859 /nfs/dbraw/zinc/42/98/59/256429859.db2.gz YJTGZXWFVNTNDC-VIFPVBQESA-N -1 1 333.266 2.498 20 5 EEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCOC(F)(F)F ZINC000353816050 296499757 /nfs/dbraw/zinc/49/97/57/296499757.db2.gz NUHHMBYNZUWCSU-UHFFFAOYSA-N -1 1 348.686 2.063 20 5 EEBDMM CS(=O)(=O)Nc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000355762222 163292994 /nfs/dbraw/zinc/29/29/94/163292994.db2.gz QCIHEYDNTSMHDY-UHFFFAOYSA-N -1 1 349.328 2.011 20 5 EEBDMM C[C@@H](CCOCc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000360581918 164344261 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466268063 /nfs/dbraw/zinc/26/80/63/466268063.db2.gz LFCKPFQUHSPDKK-UHFFFAOYSA-N -1 1 326.316 2.373 20 5 EEBDMM O=C(Nc1ccn(-c2ccccc2Cl)n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000427112171 467146524 /nfs/dbraw/zinc/14/65/24/467146524.db2.gz ZWFKQHZUHIHHFU-UHFFFAOYSA-N -1 1 331.719 3.014 20 5 EEBDMM C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592109746 468627596 /nfs/dbraw/zinc/62/75/96/468627596.db2.gz CTXTWNWDESEFMU-VXNVDRBHSA-N -1 1 336.822 2.421 20 5 EEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000154284162 534879347 /nfs/dbraw/zinc/87/93/47/534879347.db2.gz LQWGDBBPGYQWFJ-BYCMXARLSA-N -1 1 348.355 2.351 20 5 EEBDMM Cc1nc(C)c(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000768843574 577563878 /nfs/dbraw/zinc/56/38/78/577563878.db2.gz WEFPTLBSIGOYRR-UHFFFAOYSA-N -1 1 333.416 2.208 20 5 EEBDMM Cc1nc(CCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cs1 ZINC000826325602 607450333 /nfs/dbraw/zinc/45/03/33/607450333.db2.gz DZYRGXKTGPTXTO-UHFFFAOYSA-N -1 1 331.361 2.194 20 5 EEBDMM Cc1nc(CCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cs1 ZINC000826325602 607450334 /nfs/dbraw/zinc/45/03/34/607450334.db2.gz DZYRGXKTGPTXTO-UHFFFAOYSA-N -1 1 331.361 2.194 20 5 EEBDMM CCC(CC)(CC(=O)[O-])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000828804275 601268118 /nfs/dbraw/zinc/26/81/18/601268118.db2.gz KGPLQWYBSHQTOR-UHFFFAOYSA-N -1 1 348.352 2.046 20 5 EEBDMM CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCS1 ZINC000824223758 607568813 /nfs/dbraw/zinc/56/88/13/607568813.db2.gz LPEQIGDUZMVMTP-ZDUSSCGKSA-N -1 1 334.405 2.353 20 5 EEBDMM CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCS1 ZINC000824223758 607568814 /nfs/dbraw/zinc/56/88/14/607568814.db2.gz LPEQIGDUZMVMTP-ZDUSSCGKSA-N -1 1 334.405 2.353 20 5 EEBDMM O=[N+]([O-])c1cc(N[C@@H](CCO)c2cccs2)ccc1-c1nn[n-]n1 ZINC000823635333 606646247 /nfs/dbraw/zinc/64/62/47/606646247.db2.gz VXPBHGZGUQHZIM-NSHDSACASA-N -1 1 346.372 2.372 20 5 EEBDMM O=C(OCCc1ccccc1[N+](=O)[O-])c1sccc1-c1nn[n-]n1 ZINC000823410442 606824431 /nfs/dbraw/zinc/82/44/31/606824431.db2.gz WDYOLYCMCNMZJM-UHFFFAOYSA-N -1 1 345.340 2.236 20 5 EEBDMM C[C@H]1CC[C@@]2(CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)C1 ZINC000824917897 609390336 /nfs/dbraw/zinc/39/03/36/609390336.db2.gz OXJARCUUDPCXQQ-ZUZCIYMTSA-N -1 1 329.364 2.186 20 5 EEBDMM C[C@H]1CC[C@@]2(CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)C1 ZINC000824917897 609390339 /nfs/dbraw/zinc/39/03/39/609390339.db2.gz OXJARCUUDPCXQQ-ZUZCIYMTSA-N -1 1 329.364 2.186 20 5 EEBDMM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000841561214 1187147608 /nfs/dbraw/zinc/14/76/08/1187147608.db2.gz RETUVVQYDQYWTO-OTYXRUKQSA-N -1 1 346.380 2.216 20 5 EEBDMM Cc1cnn(C)c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000811831434 1200340646 /nfs/dbraw/zinc/34/06/46/1200340646.db2.gz AMXIMHURLMRRSW-UHFFFAOYSA-N -1 1 330.753 2.091 20 5 EEBDMM COc1ncnc(OC)c1C(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000813241915 1201180014 /nfs/dbraw/zinc/18/00/14/1201180014.db2.gz GRRYFSBCWZUPAY-UHFFFAOYSA-N -1 1 338.707 2.308 20 5 EEBDMM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])C1CC1 ZINC000867360154 1286671709 /nfs/dbraw/zinc/67/17/09/1286671709.db2.gz GYEORYJGCKUUAU-XPTSAGLGSA-N -1 1 346.380 2.134 20 5 EEBDMM O=c1[n-]cnc(OC[C@@H]2CCC(c3ccccc3)=NO2)c1[N+](=O)[O-] ZINC001228141965 1302122949 /nfs/dbraw/zinc/12/29/49/1302122949.db2.gz XMGWDAVHRZWZQO-NSHDSACASA-N -1 1 330.300 2.053 20 5 EEBDMM COC(=O)c1n[n-]c(O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)n1 ZINC001228315304 1302203133 /nfs/dbraw/zinc/20/31/33/1302203133.db2.gz YPMOWYUQYUHGRK-QMMMGPOBSA-N -1 1 346.221 2.182 20 5 EEBDMM COC(=O)c1nc(O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)n[n-]1 ZINC001228315304 1302203140 /nfs/dbraw/zinc/20/31/40/1302203140.db2.gz YPMOWYUQYUHGRK-QMMMGPOBSA-N -1 1 346.221 2.182 20 5 EEBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@@H]1CCn2ccnc21 ZINC001228861872 1302489751 /nfs/dbraw/zinc/48/97/51/1302489751.db2.gz IIEFTJZPBBODLY-SSDOTTSWSA-N -1 1 330.222 2.435 20 5 EEBDMM CC1(C)CCC[C@@]1(O)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609145364 1351860873 /nfs/dbraw/zinc/86/08/73/1351860873.db2.gz LSISIMMUVBHRQE-OAHLLOKOSA-N -1 1 332.364 2.128 20 5 EEBDMM CCOC[C@H]1CCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001609239953 1351904733 /nfs/dbraw/zinc/90/47/33/1351904733.db2.gz CQPMRHSLXHGCLU-NSHDSACASA-N -1 1 332.364 2.028 20 5 EEBDMM CCOC[C@H]1CCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001609239953 1351904736 /nfs/dbraw/zinc/90/47/36/1351904736.db2.gz CQPMRHSLXHGCLU-NSHDSACASA-N -1 1 332.364 2.028 20 5 EEBDMM Cc1cccc(CCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)n1 ZINC001609431558 1351974394 /nfs/dbraw/zinc/97/43/94/1351974394.db2.gz PDXIPUICRCVDSM-UHFFFAOYSA-N -1 1 325.332 2.133 20 5 EEBDMM Cc1cccc(CCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)n1 ZINC001609431558 1351974397 /nfs/dbraw/zinc/97/43/97/1351974397.db2.gz PDXIPUICRCVDSM-UHFFFAOYSA-N -1 1 325.332 2.133 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC[C@]2(CCSC2)C1 ZINC001609599588 1352030203 /nfs/dbraw/zinc/03/02/03/1352030203.db2.gz MEDFMHLPAJWKAQ-HNNXBMFYSA-N -1 1 346.416 2.498 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC[C@]2(CCSC2)C1 ZINC001609599588 1352030208 /nfs/dbraw/zinc/03/02/08/1352030208.db2.gz MEDFMHLPAJWKAQ-HNNXBMFYSA-N -1 1 346.416 2.498 20 5 EEBDMM Cc1cccc(CCNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])n1 ZINC001581242040 1344605406 /nfs/dbraw/zinc/60/54/06/1344605406.db2.gz VFAIMGVOZVXGEE-UHFFFAOYSA-N -1 1 331.361 2.194 20 5 EEBDMM Cc1cccc(CCNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])n1 ZINC001581242040 1344605413 /nfs/dbraw/zinc/60/54/13/1344605413.db2.gz VFAIMGVOZVXGEE-UHFFFAOYSA-N -1 1 331.361 2.194 20 5 EEBDMM C[C@](O)(CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC001589992277 1349097143 /nfs/dbraw/zinc/09/71/43/1349097143.db2.gz XABADOVVBKOBAF-INIZCTEOSA-N -1 1 340.343 2.095 20 5 EEBDMM C[C@](O)(CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC001589992277 1349097146 /nfs/dbraw/zinc/09/71/46/1349097146.db2.gz XABADOVVBKOBAF-INIZCTEOSA-N -1 1 340.343 2.095 20 5 EEBDMM C[C@@]1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO[C@H]1C1CC1 ZINC001590136661 1349170877 /nfs/dbraw/zinc/17/08/77/1349170877.db2.gz XATKZWNGTZZCMA-HOCLYGCPSA-N -1 1 344.375 2.392 20 5 EEBDMM C[C@@]1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO[C@H]1C1CC1 ZINC001590136661 1349170881 /nfs/dbraw/zinc/17/08/81/1349170881.db2.gz XATKZWNGTZZCMA-HOCLYGCPSA-N -1 1 344.375 2.392 20 5 EEBDMM CC[C@@H](C[C@@H](C)CO)Nc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590424372 1349319259 /nfs/dbraw/zinc/31/92/59/1349319259.db2.gz HKCZDUGDLSJSRU-KOLCDFICSA-N -1 1 334.380 2.292 20 5 EEBDMM CC[C@@H](C[C@@H](C)CO)Nc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590424372 1349319265 /nfs/dbraw/zinc/31/92/65/1349319265.db2.gz HKCZDUGDLSJSRU-KOLCDFICSA-N -1 1 334.380 2.292 20 5 EEBDMM COC[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccco1 ZINC001591382277 1349476142 /nfs/dbraw/zinc/47/61/42/1349476142.db2.gz HLRFBCTWXYXQKE-NSHDSACASA-N -1 1 330.304 2.168 20 5 EEBDMM Cc1nc(C)c(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)s1 ZINC001592357801 1349624082 /nfs/dbraw/zinc/62/40/82/1349624082.db2.gz YWPJVXRMUWUOBY-UHFFFAOYSA-N -1 1 331.361 2.460 20 5 EEBDMM O=[N+]([O-])c1cc(N2CCc3cc(F)ccc3C2)ccc1-c1nn[n-]n1 ZINC001593471260 1349807070 /nfs/dbraw/zinc/80/70/70/1349807070.db2.gz MXSSURULAAWORD-UHFFFAOYSA-N -1 1 340.318 2.477 20 5 EEBDMM O=[N+]([O-])c1cc(NCC2(CO)CC3(CCC3)C2)ccc1-c1nn[n-]n1 ZINC001593473395 1349807838 /nfs/dbraw/zinc/80/78/38/1349807838.db2.gz ARWYVCARDLGFCI-UHFFFAOYSA-N -1 1 344.375 2.130 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H](c1ncccn1)C1CC1 ZINC001593487756 1349816168 /nfs/dbraw/zinc/81/61/68/1349816168.db2.gz LAVGESMQZSDSON-SNVBAGLBSA-N -1 1 344.360 2.190 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H](c1ncccn1)C1CC1 ZINC001593487756 1349816171 /nfs/dbraw/zinc/81/61/71/1349816171.db2.gz LAVGESMQZSDSON-SNVBAGLBSA-N -1 1 344.360 2.190 20 5 EEBDMM Cc1cccc2nc(CNc3ncc(C(=O)[O-])cc3[N+](=O)[O-])[nH]c21 ZINC001600555970 1350081512 /nfs/dbraw/zinc/08/15/12/1350081512.db2.gz TXJXJXNNEIGASY-UHFFFAOYSA-N -1 1 327.300 2.485 20 5 EEBDMM O=C([O-])[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]2CCC[C@@H]21 ZINC001601824849 1350373184 /nfs/dbraw/zinc/37/31/84/1350373184.db2.gz MQBOBXISZDCAGL-MCIONIFRSA-N -1 1 334.328 2.016 20 5 EEBDMM CC(C)(C)SCCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603110552 1350642147 /nfs/dbraw/zinc/64/21/47/1350642147.db2.gz UHMMYRXQJVSFMA-UHFFFAOYSA-N -1 1 337.409 2.301 20 5 EEBDMM CC(C)(C)SCCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603110552 1350642153 /nfs/dbraw/zinc/64/21/53/1350642153.db2.gz UHMMYRXQJVSFMA-UHFFFAOYSA-N -1 1 337.409 2.301 20 5 EEBDMM C[C@H](O)CC(C)(C)CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603694701 1350743628 /nfs/dbraw/zinc/74/36/28/1350743628.db2.gz COMTVSQQGQQSPQ-ZETCQYMHSA-N -1 1 326.382 2.045 20 5 EEBDMM C[C@H](O)CC(C)(C)CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603694701 1350743632 /nfs/dbraw/zinc/74/36/32/1350743632.db2.gz COMTVSQQGQQSPQ-ZETCQYMHSA-N -1 1 326.382 2.045 20 5 EEBDMM C[C@H]1C[C@@H](CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001603851235 1350782971 /nfs/dbraw/zinc/78/29/71/1350782971.db2.gz VHDNFNFELGKMCN-QWRGUYRKSA-N -1 1 332.364 2.392 20 5 EEBDMM C[C@H]1C[C@@H](CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001603851235 1350782977 /nfs/dbraw/zinc/78/29/77/1350782977.db2.gz VHDNFNFELGKMCN-QWRGUYRKSA-N -1 1 332.364 2.392 20 5 EEBDMM CO[C@@H]1CC[C@H](C)N(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001606728247 1351348252 /nfs/dbraw/zinc/34/82/52/1351348252.db2.gz ASGARWJRUKYTOE-WCQYABFASA-N -1 1 338.360 2.058 20 5 EEBDMM O=[N+]([O-])c1c(NC[C@@H]2CCc3cccnc32)cccc1-c1nnn[n-]1 ZINC001607077649 1351407809 /nfs/dbraw/zinc/40/78/09/1351407809.db2.gz BUYACVUSEIEKNO-NSHDSACASA-N -1 1 337.343 2.312 20 5 EEBDMM O=[N+]([O-])c1c(NC[C@@H]2CCc3cccnc32)cccc1-c1nn[n-]n1 ZINC001607077649 1351407812 /nfs/dbraw/zinc/40/78/12/1351407812.db2.gz BUYACVUSEIEKNO-NSHDSACASA-N -1 1 337.343 2.312 20 5 EEBDMM O=[N+]([O-])c1ccc(NC[C@H]2CC[C@H](C3CC3)O2)cc1-c1nnn[n-]1 ZINC001607081788 1351410344 /nfs/dbraw/zinc/41/03/44/1351410344.db2.gz HDVZCAPDFISNRO-BXUZGUMPSA-N -1 1 330.348 2.144 20 5 EEBDMM O=[N+]([O-])c1ccc(NC[C@H]2CC[C@H](C3CC3)O2)cc1-c1nn[n-]n1 ZINC001607081788 1351410345 /nfs/dbraw/zinc/41/03/45/1351410345.db2.gz HDVZCAPDFISNRO-BXUZGUMPSA-N -1 1 330.348 2.144 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@H]2CSC[C@H]2C1 ZINC001607086067 1351412757 /nfs/dbraw/zinc/41/27/57/1351412757.db2.gz RQQHZVFVYQYMHF-JGVFFNPUSA-N -1 1 338.418 2.026 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@H]2CSC[C@H]2C1 ZINC001607086067 1351412758 /nfs/dbraw/zinc/41/27/58/1351412758.db2.gz RQQHZVFVYQYMHF-JGVFFNPUSA-N -1 1 338.418 2.026 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC[C@@H]1CSCCS1 ZINC001607088507 1351413251 /nfs/dbraw/zinc/41/32/51/1351413251.db2.gz QEKSHSSXPZQLGB-ZCFIWIBFSA-N -1 1 344.447 2.097 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC[C@@H]1CSCCS1 ZINC001607088507 1351413256 /nfs/dbraw/zinc/41/32/56/1351413256.db2.gz QEKSHSSXPZQLGB-ZCFIWIBFSA-N -1 1 344.447 2.097 20 5 EEBDMM Cc1ccc([C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C(=O)[O-])cc1C ZINC001607758327 1351553271 /nfs/dbraw/zinc/55/32/71/1351553271.db2.gz FGFGDHHLDSYKKA-OAHLLOKOSA-N -1 1 344.323 2.473 20 5 EEBDMM CCOC(=O)C[C@@H](C)Sc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590761082 1403899483 /nfs/dbraw/zinc/89/94/83/1403899483.db2.gz OKLIIZYBCFRFJP-ZCFIWIBFSA-N -1 1 343.390 2.270 20 5 EEBDMM CCOC(=O)C[C@@H](C)Sc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590761082 1403899489 /nfs/dbraw/zinc/89/94/89/1403899489.db2.gz OKLIIZYBCFRFJP-ZCFIWIBFSA-N -1 1 343.390 2.270 20 5 EEBDMM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000808071149 812434751 /nfs/dbraw/zinc/43/47/51/812434751.db2.gz OYYCCGAVFMOKDT-UHFFFAOYSA-N -1 1 342.764 2.335 20 5 EEBDMM C[C@H](CN(Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccc1)C(=O)[O-] ZINC001592604577 978544107 /nfs/dbraw/zinc/54/41/07/978544107.db2.gz HMXOCNXRDQPKPG-GFCCVEGCSA-N -1 1 332.360 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Cc1cnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000281805033 464591961 /nfs/dbraw/zinc/59/19/61/464591961.db2.gz IWPCLGDVYLVVEP-UHFFFAOYSA-N -1 1 346.309 2.193 20 5 EEBDMM COCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)(C)C ZINC000337962058 465712147 /nfs/dbraw/zinc/71/21/47/465712147.db2.gz UZKGNMHXFHHNQP-VIFPVBQESA-N -1 1 336.435 2.386 20 5 EEBDMM O=C1CCN1c1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000340717564 466285185 /nfs/dbraw/zinc/28/51/85/466285185.db2.gz YYWMHWOMUXRJLN-UHFFFAOYSA-N -1 1 325.284 2.377 20 5 EEBDMM O=C([O-])[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000598662918 468950344 /nfs/dbraw/zinc/95/03/44/468950344.db2.gz XDRRBGNBANEMKJ-CYBMUJFWSA-N -1 1 346.343 2.234 20 5 EEBDMM CCOC(=O)Nc1ccc(OC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000495518620 535410596 /nfs/dbraw/zinc/41/05/96/535410596.db2.gz ZYULPFXPMBDWNO-UHFFFAOYSA-N -1 1 347.283 2.483 20 5 EEBDMM CCC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(C)(C)C ZINC000451786953 535706721 /nfs/dbraw/zinc/70/67/21/535706721.db2.gz XIMLYPOGCBNJJZ-NSHDSACASA-N -1 1 332.426 2.304 20 5 EEBDMM CC(C)N(C(=O)[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)C ZINC000769046841 577567953 /nfs/dbraw/zinc/56/79/53/577567953.db2.gz IKRANRUXFRJOCP-NSHDSACASA-N -1 1 338.360 2.491 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc(F)n1 ZINC000747904842 577952092 /nfs/dbraw/zinc/95/20/92/577952092.db2.gz NSQNBNBOKDMNHP-UHFFFAOYSA-N -1 1 345.739 2.261 20 5 EEBDMM C[C@@H]1C[C@@H]1Nc1cc(N[C@H]2C[C@H]2C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000820674709 599520691 /nfs/dbraw/zinc/52/06/91/599520691.db2.gz GHVPPYVFSIPUJJ-FUAUIPCOSA-N -1 1 329.364 2.416 20 5 EEBDMM C[C@@H]1C[C@@H]1Nc1cc(N[C@H]2C[C@H]2C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000820674709 599520692 /nfs/dbraw/zinc/52/06/92/599520692.db2.gz GHVPPYVFSIPUJJ-FUAUIPCOSA-N -1 1 329.364 2.416 20 5 EEBDMM C[C@@](O)(CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccsc1 ZINC000824679221 607451734 /nfs/dbraw/zinc/45/17/34/607451734.db2.gz RFGVTZNXLMXRAR-CQSZACIVSA-N -1 1 346.372 2.156 20 5 EEBDMM C[C@@](O)(CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccsc1 ZINC000824679221 607451735 /nfs/dbraw/zinc/45/17/35/607451735.db2.gz RFGVTZNXLMXRAR-CQSZACIVSA-N -1 1 346.372 2.156 20 5 EEBDMM CN(C)Cc1ccnc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000830624120 601141230 /nfs/dbraw/zinc/14/12/30/601141230.db2.gz WBADEHFUWBXHDO-UHFFFAOYSA-N -1 1 344.327 2.002 20 5 EEBDMM CC(C)[C@@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCS1 ZINC000824224224 607568480 /nfs/dbraw/zinc/56/84/80/607568480.db2.gz NQKZPKATMVTQNG-ZDUSSCGKSA-N -1 1 334.405 2.353 20 5 EEBDMM CCOc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821431741 606697901 /nfs/dbraw/zinc/69/79/01/606697901.db2.gz YMLNRIAQFMNNOM-UHFFFAOYSA-N -1 1 341.331 2.181 20 5 EEBDMM CCOc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821431741 606697903 /nfs/dbraw/zinc/69/79/03/606697903.db2.gz YMLNRIAQFMNNOM-UHFFFAOYSA-N -1 1 341.331 2.181 20 5 EEBDMM CC(C)(C)c1cnc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])o1 ZINC000819965411 606714733 /nfs/dbraw/zinc/71/47/33/606714733.db2.gz FUQAKFBTWKPOCG-UHFFFAOYSA-N -1 1 344.335 2.068 20 5 EEBDMM CC(C)(C)c1cnc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])o1 ZINC000819965411 606714734 /nfs/dbraw/zinc/71/47/34/606714734.db2.gz FUQAKFBTWKPOCG-UHFFFAOYSA-N -1 1 344.335 2.068 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCCC(F)(F)C1 ZINC000823621221 607131742 /nfs/dbraw/zinc/13/17/42/607131742.db2.gz ZTCMECJTKZODLB-SSDOTTSWSA-N -1 1 325.279 2.160 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCCC(F)(F)C1 ZINC000823621221 607131744 /nfs/dbraw/zinc/13/17/44/607131744.db2.gz ZTCMECJTKZODLB-SSDOTTSWSA-N -1 1 325.279 2.160 20 5 EEBDMM O=[N+]([O-])c1ccc(OCCOc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826499067 607865548 /nfs/dbraw/zinc/86/55/48/607865548.db2.gz UPEZMTKSYCEYGS-UHFFFAOYSA-N -1 1 345.290 2.372 20 5 EEBDMM O=[N+]([O-])c1ccc(OCCOc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826499067 607865549 /nfs/dbraw/zinc/86/55/49/607865549.db2.gz UPEZMTKSYCEYGS-UHFFFAOYSA-N -1 1 345.290 2.372 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CSC[C@@H]2C)cc1F ZINC000867260603 1285014285 /nfs/dbraw/zinc/01/42/85/1285014285.db2.gz APDHPPUGWNEAIH-WCBMZHEXSA-N -1 1 334.394 2.072 20 5 EEBDMM C[C@H]1CN(CCc2nnc(-c3cc([O-])ccc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC001258146590 1319189861 /nfs/dbraw/zinc/18/98/61/1319189861.db2.gz PIJBYWTYCBXILJ-QWRGUYRKSA-N -1 1 348.359 2.002 20 5 EEBDMM COC(=O)c1cc(C)nc([N-]c2cnn3c2CCCC3)c1[N+](=O)[O-] ZINC001307185123 1331515146 /nfs/dbraw/zinc/51/51/46/1331515146.db2.gz QZODTFSIXGRLDQ-UHFFFAOYSA-N -1 1 331.332 2.361 20 5 EEBDMM Cc1ccc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1C ZINC001609423286 1351970747 /nfs/dbraw/zinc/97/07/47/1351970747.db2.gz IKVPUJHMORZZBH-UHFFFAOYSA-N -1 1 339.359 2.423 20 5 EEBDMM Cc1ccc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1C ZINC001609423286 1351970750 /nfs/dbraw/zinc/97/07/50/1351970750.db2.gz IKVPUJHMORZZBH-UHFFFAOYSA-N -1 1 339.359 2.423 20 5 EEBDMM O=[N+]([O-])c1cc(N2CCC[C@@H]2C2CCOCC2)ccc1-c1nn[n-]n1 ZINC001609600929 1352031221 /nfs/dbraw/zinc/03/12/21/1352031221.db2.gz KBEKOTVMOBGYSC-CQSZACIVSA-N -1 1 344.375 2.170 20 5 EEBDMM O=C([O-])c1cc(NC(=O)c2ccc3cncn3c2)cc([N+](=O)[O-])c1 ZINC001610813881 1352279103 /nfs/dbraw/zinc/27/91/03/1352279103.db2.gz RWNAHJQVTBVMGX-UHFFFAOYSA-N -1 1 326.268 2.193 20 5 EEBDMM C[C@H](NC(=O)c1ccsc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001589949529 1349075552 /nfs/dbraw/zinc/07/55/52/1349075552.db2.gz MNRUXXCXSNNMHR-QMMMGPOBSA-N -1 1 344.356 2.327 20 5 EEBDMM C[C@H](NC(=O)c1ccsc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001589949529 1349075557 /nfs/dbraw/zinc/07/55/57/1349075557.db2.gz MNRUXXCXSNNMHR-QMMMGPOBSA-N -1 1 344.356 2.327 20 5 EEBDMM C[C@@H](O)c1ccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1 ZINC001590004196 1349103290 /nfs/dbraw/zinc/10/32/90/1349103290.db2.gz RZZZJSZBAHMLHC-SNVBAGLBSA-N -1 1 340.343 2.440 20 5 EEBDMM C[C@@H](O)c1ccc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1 ZINC001590004196 1349103296 /nfs/dbraw/zinc/10/32/96/1349103296.db2.gz RZZZJSZBAHMLHC-SNVBAGLBSA-N -1 1 340.343 2.440 20 5 EEBDMM CCc1nc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc(-c2nnn[n-]2)n1 ZINC001590923625 1349414681 /nfs/dbraw/zinc/41/46/81/1349414681.db2.gz HCWBJJOUGDIVCD-SECBINFHSA-N -1 1 340.347 2.300 20 5 EEBDMM CCc1nc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc(-c2nn[n-]n2)n1 ZINC001590923625 1349414686 /nfs/dbraw/zinc/41/46/86/1349414686.db2.gz HCWBJJOUGDIVCD-SECBINFHSA-N -1 1 340.347 2.300 20 5 EEBDMM COC1CCC(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001591351244 1349467759 /nfs/dbraw/zinc/46/77/59/1349467759.db2.gz JBFQXFOJMCLAKV-UHFFFAOYSA-N -1 1 338.393 2.454 20 5 EEBDMM COC1CCC(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001591351244 1349467761 /nfs/dbraw/zinc/46/77/61/1349467761.db2.gz JBFQXFOJMCLAKV-UHFFFAOYSA-N -1 1 338.393 2.454 20 5 EEBDMM Cc1ncsc1CN(C)c1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591998700 1349581144 /nfs/dbraw/zinc/58/11/44/1349581144.db2.gz IHYZUVGXROPDCB-UHFFFAOYSA-N -1 1 345.388 2.485 20 5 EEBDMM Cc1ncsc1CN(C)c1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591998700 1349581156 /nfs/dbraw/zinc/58/11/56/1349581156.db2.gz IHYZUVGXROPDCB-UHFFFAOYSA-N -1 1 345.388 2.485 20 5 EEBDMM Cc1sc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c(-c2nn[nH]n2)c1C ZINC001592520334 1349645295 /nfs/dbraw/zinc/64/52/95/1349645295.db2.gz GYAGSRHJAALIEV-UHFFFAOYSA-N -1 1 334.317 2.299 20 5 EEBDMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001593245247 1349749136 /nfs/dbraw/zinc/74/91/36/1349749136.db2.gz HBEGMMLTDYCBDV-UHFFFAOYSA-N -1 1 345.706 2.076 20 5 EEBDMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001593245247 1349749139 /nfs/dbraw/zinc/74/91/39/1349749139.db2.gz HBEGMMLTDYCBDV-UHFFFAOYSA-N -1 1 345.706 2.076 20 5 EEBDMM O=[N+]([O-])c1c(Cl)cc(Cl)cc1Cn1ccnc1-c1nnn[n-]1 ZINC001593465053 1349802201 /nfs/dbraw/zinc/80/22/01/1349802201.db2.gz HJQOVKDHASWSLJ-UHFFFAOYSA-N -1 1 340.130 2.327 20 5 EEBDMM O=[N+]([O-])c1c(Cl)cc(Cl)cc1Cn1ccnc1-c1nn[n-]n1 ZINC001593465053 1349802202 /nfs/dbraw/zinc/80/22/02/1349802202.db2.gz HJQOVKDHASWSLJ-UHFFFAOYSA-N -1 1 340.130 2.327 20 5 EEBDMM O=[N+]([O-])c1cc(N2C[C@@H](C3CC3)[C@@H]2C2CC2)ccc1-c1nn[n-]n1 ZINC001593470373 1349805603 /nfs/dbraw/zinc/80/56/03/1349805603.db2.gz CJPXOUNKSONIMI-ZFWWWQNUSA-N -1 1 326.360 2.400 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCC3(CC3(F)F)CC2)cc1-c1nnn[n-]1 ZINC001593475554 1349809409 /nfs/dbraw/zinc/80/94/09/1349809409.db2.gz BGBNJTVMMNBFQN-UHFFFAOYSA-N -1 1 336.302 2.401 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCC3(CC3(F)F)CC2)cc1-c1nn[n-]n1 ZINC001593475554 1349809415 /nfs/dbraw/zinc/80/94/15/1349809415.db2.gz BGBNJTVMMNBFQN-UHFFFAOYSA-N -1 1 336.302 2.401 20 5 EEBDMM CCc1cc(-c2nn[nH]n2)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC001604510030 1350951975 /nfs/dbraw/zinc/95/19/75/1350951975.db2.gz GBFPSUYBJPPBMN-UHFFFAOYSA-N -1 1 334.317 2.244 20 5 EEBDMM Cc1ccc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])o1 ZINC000918194386 768972475 /nfs/dbraw/zinc/97/24/75/768972475.db2.gz VYBSIQQRJQIWSG-UHFFFAOYSA-N -1 1 328.321 2.156 20 5 EEBDMM NC(=O)c1ccnc([N-][C@H](c2ccccn2)C(F)(F)F)c1[N+](=O)[O-] ZINC001168482843 795402385 /nfs/dbraw/zinc/40/23/85/795402385.db2.gz ZIKSQICCEOFIDB-SNVBAGLBSA-N -1 1 341.249 2.199 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C2CSC2)c1Cl ZINC000921867784 797738437 /nfs/dbraw/zinc/73/84/37/797738437.db2.gz GNXZRRRARCFUSC-UHFFFAOYSA-N -1 1 343.213 2.295 20 5 EEBDMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001589308179 953764740 /nfs/dbraw/zinc/76/47/40/953764740.db2.gz JJLZRVHFYRVDLN-QWRGUYRKSA-N -1 1 346.343 2.330 20 5 EEBDMM CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C(=O)[O-])C1 ZINC000902036630 980707435 /nfs/dbraw/zinc/70/74/35/980707435.db2.gz XCAGJYDPCIFQOQ-YPMHNXCESA-N -1 1 328.752 2.312 20 5 EEBDMM CCCn1cncc1CN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001596118295 983452192 /nfs/dbraw/zinc/45/21/92/983452192.db2.gz RUFBHHHMYGOLLI-INIZCTEOSA-N -1 1 332.360 2.291 20 5 EEBDMM COC[C@@H]1CCCCN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599202594 997334358 /nfs/dbraw/zinc/33/43/58/997334358.db2.gz BEAAJSMHRPKKIF-ZDUSSCGKSA-N -1 1 338.360 2.059 20 5 EEBDMM COc1ccc(CCCN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193447066 240168372 /nfs/dbraw/zinc/16/83/72/240168372.db2.gz OTBGZBUUSFUAJO-UHFFFAOYSA-N -1 1 345.355 2.409 20 5 EEBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000271227938 256222393 /nfs/dbraw/zinc/22/23/93/256222393.db2.gz HVFHSWDUVKURTQ-PSASIEDQSA-N -1 1 334.781 2.094 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCC[C@H](O)C1 ZINC000121789371 292267874 /nfs/dbraw/zinc/26/78/74/292267874.db2.gz RAHKHCVEYSPWTL-UWVGGRQHSA-N -1 1 348.808 2.078 20 5 EEBDMM Cc1cc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)ccc1[N+](=O)[O-] ZINC000067078867 159007061 /nfs/dbraw/zinc/00/70/61/159007061.db2.gz XXGMBEQWGXZDIN-UHFFFAOYSA-N -1 1 347.400 2.465 20 5 EEBDMM O=C([N-]c1cc(N2CCNC2=O)ccc1F)c1ccc([N+](=O)[O-])o1 ZINC000344271594 161212970 /nfs/dbraw/zinc/21/29/70/161212970.db2.gz AENPFAGJTDYTKP-UHFFFAOYSA-N -1 1 334.263 2.109 20 5 EEBDMM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000291984305 275360730 /nfs/dbraw/zinc/36/07/30/275360730.db2.gz SEULZBATGJPBFT-UHFFFAOYSA-N -1 1 343.336 2.071 20 5 EEBDMM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000416531874 313248546 /nfs/dbraw/zinc/24/85/46/313248546.db2.gz WNHPXXISYVANET-AOOOYVTPSA-N -1 1 348.808 2.483 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000525182939 317042626 /nfs/dbraw/zinc/04/26/26/317042626.db2.gz OUYGCBRYOFFPFU-SDDRHHMPSA-N -1 1 325.390 2.237 20 5 EEBDMM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@H]1C ZINC000572429646 319845349 /nfs/dbraw/zinc/84/53/49/319845349.db2.gz AVVGHJUDGZUMFQ-WOPDTQHZSA-N -1 1 327.406 2.340 20 5 EEBDMM Cc1csc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000119472529 462904231 /nfs/dbraw/zinc/90/42/31/462904231.db2.gz RHMOYVHQCBXHGD-UHFFFAOYSA-N -1 1 341.414 2.455 20 5 EEBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000119543147 462910115 /nfs/dbraw/zinc/91/01/15/462910115.db2.gz UAVONWSLSWGIIS-GZMMTYOYSA-N -1 1 334.781 2.094 20 5 EEBDMM CCn1c(CNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n[n-]c1=S ZINC000067050612 462960374 /nfs/dbraw/zinc/96/03/74/462960374.db2.gz DGIRKGKVFWNZLB-VMPITWQZSA-N -1 1 333.373 2.198 20 5 EEBDMM CC[C@@H](C)Oc1cc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccn1 ZINC000278047947 463945452 /nfs/dbraw/zinc/94/54/52/463945452.db2.gz LRFRGWITAFSTGB-SNVBAGLBSA-N -1 1 346.343 2.198 20 5 EEBDMM C[C@@H](C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1cccc([N+](=O)[O-])c1 ZINC000579703015 468398444 /nfs/dbraw/zinc/39/84/44/468398444.db2.gz LCTVDPARRJSSSN-PWSUYJOCSA-N -1 1 346.343 2.193 20 5 EEBDMM Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000265678095 464644332 /nfs/dbraw/zinc/64/43/32/464644332.db2.gz KFOPTXXLHVBJTR-UHFFFAOYSA-N -1 1 344.371 2.316 20 5 EEBDMM 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JFQHJPYJYRFFNV-JTQLQIEISA-N -1 1 332.364 2.310 20 5 EEBDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC001592504054 1349640382 /nfs/dbraw/zinc/64/03/82/1349640382.db2.gz RRYZJUPRZCBJAK-UHFFFAOYSA-N -1 1 343.299 2.076 20 5 EEBDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC001592504054 1349640389 /nfs/dbraw/zinc/64/03/89/1349640389.db2.gz RRYZJUPRZCBJAK-UHFFFAOYSA-N -1 1 343.299 2.076 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC[C@H]1CCC2(CCC2)O1 ZINC001593489107 1349817752 /nfs/dbraw/zinc/81/77/52/1349817752.db2.gz WCGRDZCMMPTSLM-MRVPVSSYSA-N -1 1 336.377 2.350 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC[C@H]1CCC2(CCC2)O1 ZINC001593489107 1349817748 /nfs/dbraw/zinc/81/77/48/1349817748.db2.gz WCGRDZCMMPTSLM-MRVPVSSYSA-N -1 1 336.377 2.350 20 5 EEBDMM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001601972669 1350408252 /nfs/dbraw/zinc/40/82/52/1350408252.db2.gz ONVWNDWIPMALFL-NSHDSACASA-N -1 1 338.364 2.252 20 5 EEBDMM CC(C)(C)[C@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001603067208 1350631492 /nfs/dbraw/zinc/63/14/92/1350631492.db2.gz JCVALSPCXHQKKB-SNVBAGLBSA-N -1 1 338.393 2.088 20 5 EEBDMM CC(C)(C)[C@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001603067208 1350631494 /nfs/dbraw/zinc/63/14/94/1350631494.db2.gz JCVALSPCXHQKKB-SNVBAGLBSA-N -1 1 338.393 2.088 20 5 EEBDMM C[C@H](c1cccnc1)N(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603739023 1350756322 /nfs/dbraw/zinc/75/63/22/1350756322.db2.gz PKLVPQAPXMGZPQ-SNVBAGLBSA-N -1 1 325.332 2.367 20 5 EEBDMM C/C=C\C[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001603965187 1350816437 /nfs/dbraw/zinc/81/64/37/1350816437.db2.gz USDYXILTAJVKGF-QUCGXOGASA-N -1 1 329.364 2.353 20 5 EEBDMM C/C=C\C[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001603965187 1350816439 /nfs/dbraw/zinc/81/64/39/1350816439.db2.gz USDYXILTAJVKGF-QUCGXOGASA-N -1 1 329.364 2.353 20 5 EEBDMM CCC[C@@H](CCO)CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001604143962 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Cc1ccc(CN(C)c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)nc1 ZINC001609423404 1351970692 /nfs/dbraw/zinc/97/06/92/1351970692.db2.gz OVTBKDHFOUNBOT-UHFFFAOYSA-N -1 1 325.332 2.115 20 5 EEBDMM CCc1oc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1C(=O)[O-] ZINC001610079000 1352157056 /nfs/dbraw/zinc/15/70/56/1352157056.db2.gz PZSBZWLZPXPDMO-UHFFFAOYSA-N -1 1 348.359 2.482 20 5 EEBDMM CC1(C)CO[C@H](CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590111903 1349160254 /nfs/dbraw/zinc/16/02/54/1349160254.db2.gz UZRRFRDEEFERNU-SNVBAGLBSA-N -1 1 332.364 2.392 20 5 EEBDMM CC1(C)CO[C@H](CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590111903 1349160262 /nfs/dbraw/zinc/16/02/62/1349160262.db2.gz UZRRFRDEEFERNU-SNVBAGLBSA-N -1 1 332.364 2.392 20 5 EEBDMM Cc1cccc([C@@H](O)CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001592224872 1349611986 /nfs/dbraw/zinc/61/19/86/1349611986.db2.gz YRNDYDFGNCROBY-AWEZNQCLSA-N -1 1 340.343 2.229 20 5 EEBDMM Cc1cccc([C@@H](O)CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001592224872 1349611988 /nfs/dbraw/zinc/61/19/88/1349611988.db2.gz YRNDYDFGNCROBY-AWEZNQCLSA-N -1 1 340.343 2.229 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCCc2cccnc21 ZINC001593465089 1349802636 /nfs/dbraw/zinc/80/26/36/1349802636.db2.gz APWQJPJDVYUYCR-LLVKDONJSA-N -1 1 338.331 2.054 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCCc2cccnc21 ZINC001593465089 1349802644 /nfs/dbraw/zinc/80/26/44/1349802644.db2.gz APWQJPJDVYUYCR-LLVKDONJSA-N -1 1 338.331 2.054 20 5 EEBDMM O=[N+]([O-])c1cc(NCCc2ccccc2O)ccc1-c1nn[n-]n1 ZINC001593473376 1349808097 /nfs/dbraw/zinc/80/80/97/1349808097.db2.gz AFKPTNMYKUBKPJ-UHFFFAOYSA-N -1 1 326.316 2.135 20 5 EEBDMM Cn1c(Cl)ncc1CN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001600916023 1350167268 /nfs/dbraw/zinc/16/72/68/1350167268.db2.gz CYQHLAYQMOFDHJ-AWEZNQCLSA-N -1 1 338.751 2.071 20 5 EEBDMM O=C([O-])c1ccnc(NCCc2nc3ccc(F)cc3[nH]2)c1[N+](=O)[O-] ZINC001602483796 1350529791 /nfs/dbraw/zinc/52/97/91/1350529791.db2.gz CHGQRFZWWJKLAE-UHFFFAOYSA-N -1 1 345.290 2.358 20 5 EEBDMM C[C@@H](NCC(=O)NC1(C(=O)[O-])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001604330719 1350917260 /nfs/dbraw/zinc/91/72/60/1350917260.db2.gz VJZHQMPKUZXSOY-GFCCVEGCSA-N -1 1 349.387 2.149 20 5 EEBDMM Cc1cc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc(C)n1 ZINC001605661657 1351212880 /nfs/dbraw/zinc/21/28/80/1351212880.db2.gz FDEHYPCIQMZKMG-UHFFFAOYSA-N -1 1 325.332 2.399 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1CCC[C@]12CCCO2 ZINC001607088261 1351413532 /nfs/dbraw/zinc/41/35/32/1351413532.db2.gz KEMIBUQHCBHFBD-MFKMUULPSA-N -1 1 336.377 2.350 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1CCC[C@]12CCCO2 ZINC001607088261 1351413533 /nfs/dbraw/zinc/41/35/33/1351413533.db2.gz KEMIBUQHCBHFBD-MFKMUULPSA-N -1 1 336.377 2.350 20 5 EEBDMM CC[C@@]1(CO)CCCN(c2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590495690 1403881746 /nfs/dbraw/zinc/88/17/46/1403881746.db2.gz IOZATBRCUWMQLU-MRXNPFEDSA-N -1 1 346.391 2.072 20 5 EEBDMM CC[C@@]1(CO)CCCN(c2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590495690 1403881749 /nfs/dbraw/zinc/88/17/49/1403881749.db2.gz IOZATBRCUWMQLU-MRXNPFEDSA-N -1 1 346.391 2.072 20 5 EEBDMM C[C@@H](C(=O)[O-])N(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)C1CC1 ZINC001602815461 971617609 /nfs/dbraw/zinc/61/76/09/971617609.db2.gz VUCIFWFGUHAZSR-VIFPVBQESA-N -1 1 344.327 2.063 20 5 EEBDMM O=C([O-])c1cnc(NC[C@@H]2CCN2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000716174456 977810809 /nfs/dbraw/zinc/81/08/09/977810809.db2.gz DUSHYGOBHJHQHM-AWEZNQCLSA-N -1 1 342.355 2.374 20 5 EEBDMM O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000159435676 206245129 /nfs/dbraw/zinc/24/51/29/206245129.db2.gz HFMVESHLJJZYSP-DOMZBBRYSA-N -1 1 343.339 2.346 20 5 EEBDMM Cc1cc(C2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)n[nH]1 ZINC000273549859 256306014 /nfs/dbraw/zinc/30/60/14/256306014.db2.gz AEXIGZDELJTUJN-UHFFFAOYSA-N -1 1 330.344 2.352 20 5 EEBDMM CCC1(CC)[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H](C)[C@@H]1OC ZINC000185905064 160051591 /nfs/dbraw/zinc/05/15/91/160051591.db2.gz ZMJWRSPRKKENTN-BIMULSAOSA-N -1 1 337.376 2.265 20 5 EEBDMM O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275088071 269093689 /nfs/dbraw/zinc/09/36/89/269093689.db2.gz GCZIDLCULNUAPY-GFCCVEGCSA-N -1 1 335.360 2.307 20 5 EEBDMM C[C@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000294751661 293535175 /nfs/dbraw/zinc/53/51/75/293535175.db2.gz XSOWXMVVIUFZLE-TVQRCGJNSA-N -1 1 348.808 2.078 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@]2(C)CCCC[C@@H]2C)c([N+](=O)[O-])n1 ZINC000416520068 313245021 /nfs/dbraw/zinc/24/50/21/313245021.db2.gz WIBAIDZSXAGCRA-GXFFZTMASA-N -1 1 330.410 2.058 20 5 EEBDMM Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)n1 ZINC000436769117 314996692 /nfs/dbraw/zinc/99/66/92/314996692.db2.gz YCEKHRQGAIOUNZ-UHFFFAOYSA-N -1 1 330.222 2.305 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1coc2ccccc12 ZINC000564640093 319096324 /nfs/dbraw/zinc/09/63/24/319096324.db2.gz WUYFIAAXECRJDB-UHFFFAOYSA-N -1 1 333.325 2.215 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1CCc2ccccc2CC1 ZINC000565580410 319195042 /nfs/dbraw/zinc/19/50/42/319195042.db2.gz QKXYUUMPFXMISO-UHFFFAOYSA-N -1 1 347.396 2.216 20 5 EEBDMM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000572429645 319845470 /nfs/dbraw/zinc/84/54/70/319845470.db2.gz AVVGHJUDGZUMFQ-UTUOFQBUSA-N -1 1 327.406 2.340 20 5 EEBDMM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCCN(C)C1 ZINC000574918202 320071268 /nfs/dbraw/zinc/07/12/68/320071268.db2.gz HGRWQEBHPUDHSI-JTQLQIEISA-N -1 1 327.768 2.120 20 5 EEBDMM CC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1ccccc1 ZINC000339040393 465043747 /nfs/dbraw/zinc/04/37/47/465043747.db2.gz BMZFPGBNGHEYST-GFCCVEGCSA-N -1 1 338.389 2.241 20 5 EEBDMM CCC[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])OC ZINC000296313633 465153362 /nfs/dbraw/zinc/15/33/62/465153362.db2.gz SVCLXIHXIPXLJF-VIFPVBQESA-N -1 1 336.797 2.342 20 5 EEBDMM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(C2CCCCC2)CC1 ZINC000120190858 462971925 /nfs/dbraw/zinc/97/19/25/462971925.db2.gz QONGFYWASAAQSS-UHFFFAOYSA-N -1 1 333.388 2.391 20 5 EEBDMM Cc1ccc(-c2n[nH]c(NC(=O)c3cccc([N+](=O)[O-])c3[O-])n2)o1 ZINC000164234044 463618986 /nfs/dbraw/zinc/61/89/86/463618986.db2.gz YFULOLBVHRPAGY-UHFFFAOYSA-N -1 1 329.272 2.239 20 5 EEBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000171415342 463858633 /nfs/dbraw/zinc/85/86/33/463858633.db2.gz VDPYHFWIFZQEKM-ZETCQYMHSA-N -1 1 349.206 2.434 20 5 EEBDMM CN(CCCOCc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000281787549 464585537 /nfs/dbraw/zinc/58/55/37/464585537.db2.gz VLICXMWEVIPGTN-UHFFFAOYSA-N -1 1 345.355 2.374 20 5 EEBDMM O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000190497642 464659825 /nfs/dbraw/zinc/65/98/25/464659825.db2.gz NDHUOOSMAVLDSD-WFASDCNBSA-N -1 1 343.339 2.203 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CCCc2ccccc21 ZINC000555156661 468460705 /nfs/dbraw/zinc/46/07/05/468460705.db2.gz WRFQOWNBCGNMIR-CYBMUJFWSA-N -1 1 347.396 2.388 20 5 EEBDMM Cc1ccccc1NC(=O)Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000349865634 466280152 /nfs/dbraw/zinc/28/01/52/466280152.db2.gz ULOUDUBLJDEXMJ-UHFFFAOYSA-N -1 1 327.300 2.463 20 5 EEBDMM Cc1c(NC(=O)[C@H](C)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000600702282 468626170 /nfs/dbraw/zinc/62/61/70/468626170.db2.gz NFFGNVGLGAFFPE-WCFLWFBJSA-N -1 1 349.387 2.273 20 5 EEBDMM O=C([N-]c1nnc(Cc2ccccc2)s1)c1c[nH]nc1[N+](=O)[O-] ZINC000619785644 469681886 /nfs/dbraw/zinc/68/18/86/469681886.db2.gz MTZPHNNOWUUOFU-UHFFFAOYSA-N -1 1 330.329 2.013 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CC1 ZINC000610212450 469988337 /nfs/dbraw/zinc/98/83/37/469988337.db2.gz XXQJWIPBPCQJKN-CQSZACIVSA-N -1 1 333.369 2.419 20 5 EEBDMM C[C@@H](O)c1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768851034 577564142 /nfs/dbraw/zinc/56/41/42/577564142.db2.gz ZSLARRQCORMCEN-SECBINFHSA-N -1 1 342.398 2.188 20 5 EEBDMM O=C1C[C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000768890068 577565159 /nfs/dbraw/zinc/56/51/59/577565159.db2.gz SOWCVMJOUIWTSK-LLVKDONJSA-N -1 1 338.366 2.262 20 5 EEBDMM COc1cccc(NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000769047910 577568010 /nfs/dbraw/zinc/56/80/10/577568010.db2.gz PUTUJVSJFQBRMD-UHFFFAOYSA-N -1 1 346.295 2.105 20 5 EEBDMM CC(C)([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000742290034 577870549 /nfs/dbraw/zinc/87/05/49/577870549.db2.gz IRXDQJGFLZHDBX-UHFFFAOYSA-N -1 1 339.348 2.343 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000823620972 607384348 /nfs/dbraw/zinc/38/43/48/607384348.db2.gz UXXZEJGRZVDKNZ-KWCYVHTRSA-N -1 1 349.354 2.310 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000823620972 607384349 /nfs/dbraw/zinc/38/43/49/607384349.db2.gz UXXZEJGRZVDKNZ-KWCYVHTRSA-N -1 1 349.354 2.310 20 5 EEBDMM O=C([O-])CCC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000833225856 601799805 /nfs/dbraw/zinc/79/98/05/601799805.db2.gz QBCYAXKUNYVWJB-UHFFFAOYSA-N -1 1 332.360 2.479 20 5 EEBDMM C[C@@H]1C[C@H]1c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])o1 ZINC000820678444 606699469 /nfs/dbraw/zinc/69/94/69/606699469.db2.gz VJOMDYSXDNBPLC-LDYMZIIASA-N -1 1 341.331 2.498 20 5 EEBDMM C[C@@H]1C[C@H]1c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])o1 ZINC000820678444 606699471 /nfs/dbraw/zinc/69/94/71/606699471.db2.gz VJOMDYSXDNBPLC-LDYMZIIASA-N -1 1 341.331 2.498 20 5 EEBDMM C[C@@H]1c2ccsc2CCN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820827717 607164132 /nfs/dbraw/zinc/16/41/32/607164132.db2.gz WGFGBMYANRAJCN-MRVPVSSYSA-N -1 1 343.372 2.355 20 5 EEBDMM C[C@@H]1c2ccsc2CCN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820827717 607164133 /nfs/dbraw/zinc/16/41/33/607164133.db2.gz WGFGBMYANRAJCN-MRVPVSSYSA-N -1 1 343.372 2.355 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCS[C@H]2C)cc1F ZINC000867454688 677962342 /nfs/dbraw/zinc/96/23/42/677962342.db2.gz JHHLWRVLKJQHNG-WCBMZHEXSA-N -1 1 334.394 2.215 20 5 EEBDMM Cc1nc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)oc1C ZINC000914870284 683996493 /nfs/dbraw/zinc/99/64/93/683996493.db2.gz MSNIIXSGAYNJQM-UHFFFAOYSA-N -1 1 335.341 2.248 20 5 EEBDMM COCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815009675 1197815318 /nfs/dbraw/zinc/81/53/18/1197815318.db2.gz APFZFBADSKYXEN-UHFFFAOYSA-N -1 1 340.760 2.091 20 5 EEBDMM COC(=O)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2OC)[n-]1 ZINC000796345178 1213855709 /nfs/dbraw/zinc/85/57/09/1213855709.db2.gz JORUMONCNGRWRN-UHFFFAOYSA-N -1 1 334.284 2.075 20 5 EEBDMM C[C@@H](C1CC1)N(C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000780071393 1236376447 /nfs/dbraw/zinc/37/64/47/1236376447.db2.gz GNPAOBVDCRWDLO-JTQLQIEISA-N -1 1 348.355 2.247 20 5 EEBDMM CNC(=O)c1cccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000780076162 1236675371 /nfs/dbraw/zinc/67/53/71/1236675371.db2.gz RVIMTKQTXZBUHT-UHFFFAOYSA-N -1 1 330.296 2.017 20 5 EEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCSC1 ZINC000815021959 1278032400 /nfs/dbraw/zinc/03/24/00/1278032400.db2.gz VUKLFLDBKLFBIC-LURJTMIESA-N -1 1 340.785 2.171 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccnc1 ZINC000101568108 1283407872 /nfs/dbraw/zinc/40/78/72/1283407872.db2.gz KCLHLZFHKHXKAR-UHFFFAOYSA-N -1 1 327.749 2.122 20 5 EEBDMM CCC[C@H](C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])OC ZINC000867319117 1285650868 /nfs/dbraw/zinc/65/08/68/1285650868.db2.gz IWEHOYLKWKCAOO-SNVBAGLBSA-N -1 1 334.369 2.136 20 5 EEBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nccn1C ZINC000851856064 1291892618 /nfs/dbraw/zinc/89/26/18/1291892618.db2.gz GKASSNIPXLZSOT-MRVPVSSYSA-N -1 1 344.780 2.021 20 5 EEBDMM Cc1cc(NCCN(C)C(=O)c2ncccc2[O-])ccc1[N+](=O)[O-] ZINC001101561095 1299689897 /nfs/dbraw/zinc/68/98/97/1299689897.db2.gz ILKGJIDDVLHDKJ-UHFFFAOYSA-N -1 1 330.344 2.188 20 5 EEBDMM CC(C)(C)OC(=O)N1C[C@H](F)[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225659935 1301114572 /nfs/dbraw/zinc/11/45/72/1301114572.db2.gz AJGIEYLYDYIDOQ-WPRPVWTQSA-N -1 1 343.311 2.032 20 5 EEBDMM COC[C@H](C)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234752997 1305019783 /nfs/dbraw/zinc/01/97/83/1305019783.db2.gz KVXZPALCAPJPAJ-QMMMGPOBSA-N -1 1 332.308 2.477 20 5 EEBDMM COC[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000829646529 1314507726 /nfs/dbraw/zinc/50/77/26/1314507726.db2.gz UVEHBSACUMGAGR-LURJTMIESA-N -1 1 343.188 2.215 20 5 EEBDMM CSc1nc(CNc2ncc([N+](=O)[O-])cc2Cl)cc(=O)[n-]1 ZINC001307153118 1328535900 /nfs/dbraw/zinc/53/59/00/1328535900.db2.gz UUJWMMAFQPMHMY-UHFFFAOYSA-N -1 1 327.753 2.473 20 5 EEBDMM NCc1nccnc1[N-]c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001160251082 1320111484 /nfs/dbraw/zinc/11/14/84/1320111484.db2.gz SVESABWOEOTZMP-UHFFFAOYSA-N -1 1 349.660 2.049 20 5 EEBDMM O=C([O-])c1sc(-c2ccncc2)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001602590430 1350552719 /nfs/dbraw/zinc/55/27/19/1350552719.db2.gz RDUUWLVMYBHUMZ-PSASIEDQSA-N -1 1 333.325 2.112 20 5 EEBDMM C[C@@H](CN(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1nccs1 ZINC001609112009 1351848169 /nfs/dbraw/zinc/84/81/69/1351848169.db2.gz PMEYXGRVGKEKTD-VIFPVBQESA-N -1 1 345.388 2.471 20 5 EEBDMM O=[N+]([O-])c1cc(N[C@H]2CCO[C@@H](C3CC3)C2)ccc1-c1nn[n-]n1 ZINC001609601299 1352030564 /nfs/dbraw/zinc/03/05/64/1352030564.db2.gz WBIDWYAPSIJDJQ-SMDDNHRTSA-N -1 1 330.348 2.144 20 5 EEBDMM COc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nn[n-]n2)s1 ZINC001579937323 1344436951 /nfs/dbraw/zinc/43/69/51/1344436951.db2.gz IOSFPPZXANUJCR-UHFFFAOYSA-N -1 1 333.329 2.424 20 5 EEBDMM CC(=Cc1cccc([N+](=O)[O-])c1)CNc1n[nH]c(C)c1-c1nnn[n-]1 ZINC001588769964 1348932684 /nfs/dbraw/zinc/93/26/84/1348932684.db2.gz BPCRFURLCGUWSE-RMKNXTFCSA-N -1 1 340.347 2.322 20 5 EEBDMM CC(=Cc1cccc([N+](=O)[O-])c1)CNc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001588769964 1348932688 /nfs/dbraw/zinc/93/26/88/1348932688.db2.gz BPCRFURLCGUWSE-RMKNXTFCSA-N -1 1 340.347 2.322 20 5 EEBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC001589981946 1349092607 /nfs/dbraw/zinc/09/26/07/1349092607.db2.gz LIBPRXVZMFDURB-BMIGLBTASA-N -1 1 340.343 2.309 20 5 EEBDMM O=[N+]([O-])c1c(NCCc2ccc(O)cc2)cccc1-c1nnn[n-]1 ZINC001593465209 1349802480 /nfs/dbraw/zinc/80/24/80/1349802480.db2.gz JMSZVBJEGNKARI-UHFFFAOYSA-N -1 1 326.316 2.135 20 5 EEBDMM O=[N+]([O-])c1c(NCCc2ccc(O)cc2)cccc1-c1nn[n-]n1 ZINC001593465209 1349802487 /nfs/dbraw/zinc/80/24/87/1349802487.db2.gz JMSZVBJEGNKARI-UHFFFAOYSA-N -1 1 326.316 2.135 20 5 EEBDMM O=[N+]([O-])c1cc(NC[C@H]2CC[C@@H](C3CC3)O2)ccc1-c1nn[n-]n1 ZINC001593474033 1349807975 /nfs/dbraw/zinc/80/79/75/1349807975.db2.gz NYEMLAJKUWSVKX-RISCZKNCSA-N -1 1 330.348 2.144 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCCC3(CCOCC3)C2)cc1-c1nnn[n-]1 ZINC001593478068 1349810273 /nfs/dbraw/zinc/81/02/73/1349810273.db2.gz AHASLQVKDQVKJK-UHFFFAOYSA-N -1 1 344.375 2.172 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCCC3(CCOCC3)C2)cc1-c1nn[n-]n1 ZINC001593478068 1349810277 /nfs/dbraw/zinc/81/02/77/1349810277.db2.gz AHASLQVKDQVKJK-UHFFFAOYSA-N -1 1 344.375 2.172 20 5 EEBDMM O=C([O-])CCc1csc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC001602047496 1350426203 /nfs/dbraw/zinc/42/62/03/1350426203.db2.gz OVNGACSSDZDLTD-UHFFFAOYSA-N -1 1 337.313 2.026 20 5 EEBDMM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H](c2nc[nH]n2)C1 ZINC001602298825 1350488186 /nfs/dbraw/zinc/48/81/86/1350488186.db2.gz GTBGHKDYZIGTCS-ZETCQYMHSA-N -1 1 337.723 2.058 20 5 EEBDMM CC(C)CC[C@H](CO)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603278774 1350678155 /nfs/dbraw/zinc/67/81/55/1350678155.db2.gz WDGKWZTZOPEKKO-MRVPVSSYSA-N -1 1 326.382 2.045 20 5 EEBDMM CC(C)CC[C@H](CO)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603278774 1350678159 /nfs/dbraw/zinc/67/81/59/1350678159.db2.gz WDGKWZTZOPEKKO-MRVPVSSYSA-N -1 1 326.382 2.045 20 5 EEBDMM CN(Cc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604809118 1351011598 /nfs/dbraw/zinc/01/15/98/1351011598.db2.gz GSVYARXUXDYWLH-UHFFFAOYSA-N -1 1 345.750 2.460 20 5 EEBDMM CO[C@H](CCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C(F)(F)F ZINC001605007766 1351051620 /nfs/dbraw/zinc/05/16/20/1351051620.db2.gz PFDVTUGKJQPEQV-SNVBAGLBSA-N -1 1 346.269 2.154 20 5 EEBDMM Cc1cc(NC[C@H](C)Cn2cccn2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605726283 1351219029 /nfs/dbraw/zinc/21/90/29/1351219029.db2.gz HQGWELVEMSSODZ-JTQLQIEISA-N -1 1 342.363 2.028 20 5 EEBDMM Cc1cc(NC[C@H](C)Cn2cccn2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605726283 1351219031 /nfs/dbraw/zinc/21/90/31/1351219031.db2.gz HQGWELVEMSSODZ-JTQLQIEISA-N -1 1 342.363 2.028 20 5 EEBDMM Cc1ccc([C@H](C)Nc2ccnc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001605828362 1351230382 /nfs/dbraw/zinc/23/03/82/1351230382.db2.gz RBGLLYHVKFUPTI-JTQLQIEISA-N -1 1 325.332 2.073 20 5 EEBDMM Cc1ccc([C@H](C)Nc2ccnc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001605828362 1351230388 /nfs/dbraw/zinc/23/03/88/1351230388.db2.gz RBGLLYHVKFUPTI-JTQLQIEISA-N -1 1 325.332 2.073 20 5 EEBDMM Cc1ccc([N+](=O)[O-])cc1Oc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC001605884616 1351246278 /nfs/dbraw/zinc/24/62/78/1351246278.db2.gz QWKKHEPVCJATOL-UHFFFAOYSA-N -1 1 327.304 2.282 20 5 EEBDMM Cc1ccc([N+](=O)[O-])cc1Oc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC001605884616 1351246282 /nfs/dbraw/zinc/24/62/82/1351246282.db2.gz QWKKHEPVCJATOL-UHFFFAOYSA-N -1 1 327.304 2.282 20 5 EEBDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001591894827 1403969895 /nfs/dbraw/zinc/96/98/95/1403969895.db2.gz YNSDHRPBVVKIQX-VIFPVBQESA-N -1 1 340.347 2.089 20 5 EEBDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001591894827 1403969901 /nfs/dbraw/zinc/96/99/01/1403969901.db2.gz YNSDHRPBVVKIQX-VIFPVBQESA-N -1 1 340.347 2.089 20 5 EEBDMM Cc1ccc([N+](=O)[O-])c(NC/C=C\CNC(=O)c2ncccc2[O-])c1 ZINC001107140093 786019215 /nfs/dbraw/zinc/01/92/15/786019215.db2.gz XLSJDJVAJDEWLU-IHWYPQMZSA-N -1 1 342.355 2.402 20 5 EEBDMM O=C(NCC1(Nc2ccc([N+](=O)[O-])cc2F)CC1)c1ncccc1[O-] ZINC001110097877 809898874 /nfs/dbraw/zinc/89/88/74/809898874.db2.gz ITNXAFZZILHCGH-UHFFFAOYSA-N -1 1 346.318 2.209 20 5 EEBDMM O=C([N-]c1cc(-c2nn[nH]n2)ccc1F)c1ccc([N+](=O)[O-])s1 ZINC001535492903 948546455 /nfs/dbraw/zinc/54/64/55/948546455.db2.gz PMDFVOKMIHUMCN-UHFFFAOYSA-N -1 1 334.292 2.228 20 5 EEBDMM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccccc21 ZINC001594727057 957015138 /nfs/dbraw/zinc/01/51/38/957015138.db2.gz PJMKNNMDMKYNFG-HUUCEWRRSA-N -1 1 342.307 2.343 20 5 EEBDMM O=C([O-])c1cccc2c1CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000851706963 979573872 /nfs/dbraw/zinc/57/38/72/979573872.db2.gz OADBZYLNDCQVRT-QGZVFWFLSA-N -1 1 342.351 2.385 20 5 EEBDMM O=C([O-])Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000038425996 304089172 /nfs/dbraw/zinc/08/91/72/304089172.db2.gz LOPFQXVMTPTXEO-UHFFFAOYSA-N -1 1 336.325 2.023 20 5 EEBDMM O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193525194 240199827 /nfs/dbraw/zinc/19/98/27/240199827.db2.gz VAUDZQZCYBKGEG-CABCVRRESA-N -1 1 343.339 2.346 20 5 EEBDMM Cc1cccc2c(CCNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c[nH]c21 ZINC000185727623 160046447 /nfs/dbraw/zinc/04/64/47/160046447.db2.gz LWTHQPHNBWJYGR-UHFFFAOYSA-N -1 1 340.339 2.458 20 5 EEBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000343429252 161135321 /nfs/dbraw/zinc/13/53/21/161135321.db2.gz DERNUEPAYZLGHX-MRVPVSSYSA-N -1 1 327.300 2.063 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000277659229 269168696 /nfs/dbraw/zinc/16/86/96/269168696.db2.gz GBTIHCNTLRHFBO-LLVKDONJSA-N -1 1 331.303 2.464 20 5 EEBDMM CCOc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1)OCCO2 ZINC000275110020 274224392 /nfs/dbraw/zinc/22/43/92/274224392.db2.gz GBFPASHTATXUAZ-UHFFFAOYSA-N -1 1 333.300 2.345 20 5 EEBDMM C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000377127497 279061355 /nfs/dbraw/zinc/06/13/55/279061355.db2.gz HIRPPYKGKOXVSM-WPPNPWJKSA-N -1 1 333.275 2.087 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(C)C)C2)c([N+](=O)[O-])n1 ZINC000330460694 311754385 /nfs/dbraw/zinc/75/43/85/311754385.db2.gz VUDNZWRTHJSJBT-NWDGAFQWSA-N -1 1 344.437 2.304 20 5 EEBDMM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C)O1 ZINC000416608634 313272085 /nfs/dbraw/zinc/27/20/85/313272085.db2.gz SAPOTTBPCSGHBH-KXUCPTDWSA-N -1 1 348.808 2.340 20 5 EEBDMM CCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C12CCCC2 ZINC000440725026 315147577 /nfs/dbraw/zinc/14/75/77/315147577.db2.gz CXXNZWSIKDNZRR-CHWSQXEVSA-N -1 1 335.360 2.163 20 5 EEBDMM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000562361228 318873712 /nfs/dbraw/zinc/87/37/12/318873712.db2.gz RNWXLRFWJGKMNO-QMMMGPOBSA-N -1 1 341.311 2.389 20 5 EEBDMM O=C([O-])[C@H]1CCO[C@H]1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000565111553 319150589 /nfs/dbraw/zinc/15/05/89/319150589.db2.gz KUCLLJSIWNFIKC-HOTGVXAUSA-N -1 1 334.372 2.297 20 5 EEBDMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000566222079 319261286 /nfs/dbraw/zinc/26/12/86/319261286.db2.gz SFNGVSRAWMXULQ-CMPLNLGQSA-N -1 1 346.343 2.330 20 5 EEBDMM Cc1cc(C)cc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000580497403 324073320 /nfs/dbraw/zinc/07/33/20/324073320.db2.gz DWLMETNSNXCALM-UHFFFAOYSA-N -1 1 335.385 2.128 20 5 EEBDMM CCCCCn1cc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(C)n1 ZINC000351483036 465175712 /nfs/dbraw/zinc/17/57/12/465175712.db2.gz LUYOAPFGPMYHBH-UHFFFAOYSA-N -1 1 347.375 2.321 20 5 EEBDMM O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000023387610 463066108 /nfs/dbraw/zinc/06/61/08/463066108.db2.gz ICRMFHGCJFNKAS-SFYZADRCSA-N -1 1 333.266 2.134 20 5 EEBDMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000080028741 463273473 /nfs/dbraw/zinc/27/34/73/463273473.db2.gz WTDCOEVECMKHJD-LLVKDONJSA-N -1 1 346.318 2.161 20 5 EEBDMM COC[C@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000080789980 463356031 /nfs/dbraw/zinc/35/60/31/463356031.db2.gz AOUKRXKOXGGNCW-LBPRGKRZSA-N -1 1 340.357 2.162 20 5 EEBDMM CCC1(CC)[C@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC000193728633 463734098 /nfs/dbraw/zinc/73/40/98/463734098.db2.gz IRSUNAJLKYUCSG-OLZOCXBDSA-N -1 1 337.376 2.361 20 5 EEBDMM O=C(NCCCNc1cccc(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193957029 463764280 /nfs/dbraw/zinc/76/42/80/463764280.db2.gz JXWLQNZMVUJHDN-UHFFFAOYSA-N -1 1 334.307 2.067 20 5 EEBDMM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000175629616 464591072 /nfs/dbraw/zinc/59/10/72/464591072.db2.gz UYWNWYQSXRPOOJ-VIFPVBQESA-N -1 1 327.387 2.399 20 5 EEBDMM C[C@H](CCCc1cccnc1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000412421613 467082065 /nfs/dbraw/zinc/08/20/65/467082065.db2.gz VCIHBLGOASQTQB-LLVKDONJSA-N -1 1 330.344 2.232 20 5 EEBDMM C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000532881082 468148008 /nfs/dbraw/zinc/14/80/08/468148008.db2.gz HCOYOCLCFYKILQ-VXGBXAGGSA-N 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O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000264487694 464346601 /nfs/dbraw/zinc/34/66/01/464346601.db2.gz ZFGPAHOSXZVTMQ-SNVBAGLBSA-N -1 1 331.303 2.464 20 5 EEBDMM Cc1cnc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])s1 ZINC000190017587 464587332 /nfs/dbraw/zinc/58/73/32/464587332.db2.gz WAVHKZXMDLFFNZ-UHFFFAOYSA-N -1 1 341.414 2.455 20 5 EEBDMM CC(C)Cc1cc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000353779449 466140418 /nfs/dbraw/zinc/14/04/18/466140418.db2.gz JMIJREAFBBAYSX-UHFFFAOYSA-N -1 1 338.389 2.458 20 5 EEBDMM O=C([C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000331723194 466217442 /nfs/dbraw/zinc/21/74/42/466217442.db2.gz LORFIMOBXARGTR-ZDUSSCGKSA-N -1 1 333.388 2.135 20 5 EEBDMM CC(C)Oc1ccc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000584819037 468941151 /nfs/dbraw/zinc/94/11/51/468941151.db2.gz JUYSWMNBHDFCIX-UHFFFAOYSA-N -1 1 345.355 2.455 20 5 EEBDMM CC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C1CCCCC1 ZINC000611105630 469161707 /nfs/dbraw/zinc/16/17/07/469161707.db2.gz TYXPSPLROPYAKA-LBPRGKRZSA-N -1 1 344.437 2.448 20 5 EEBDMM CCOCCC1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCC1 ZINC000187189245 528632385 /nfs/dbraw/zinc/63/23/85/528632385.db2.gz JZBSOECLPHDBSA-UHFFFAOYSA-N -1 1 337.376 2.412 20 5 EEBDMM CC(C)Cc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000768861416 577564444 /nfs/dbraw/zinc/56/44/44/577564444.db2.gz FWNZCSOZFNRXTC-UHFFFAOYSA-N -1 1 330.391 2.379 20 5 EEBDMM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000833417862 605719432 /nfs/dbraw/zinc/71/94/32/605719432.db2.gz IBTDFHLZOBMWTA-NSHDSACASA-N -1 1 336.344 2.263 20 5 EEBDMM O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823337415 606496570 /nfs/dbraw/zinc/49/65/70/606496570.db2.gz LVJCULIQLUGRNO-UHFFFAOYSA-N -1 1 334.292 2.228 20 5 EEBDMM O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823337415 606496572 /nfs/dbraw/zinc/49/65/72/606496572.db2.gz LVJCULIQLUGRNO-UHFFFAOYSA-N -1 1 334.292 2.228 20 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/nfs/dbraw/zinc/16/29/39/607162939.db2.gz YTSHRBUTKAULBX-LBPRGKRZSA-N -1 1 337.343 2.139 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(c2ccccc2)CC1 ZINC000823620935 607166789 /nfs/dbraw/zinc/16/67/89/607166789.db2.gz TXERODCMNMIVJR-UHFFFAOYSA-N -1 1 337.343 2.314 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(c2ccccc2)CC1 ZINC000823620935 607166791 /nfs/dbraw/zinc/16/67/91/607166791.db2.gz TXERODCMNMIVJR-UHFFFAOYSA-N -1 1 337.343 2.314 20 5 EEBDMM O=C(N[C@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1)c1ncccc1[O-] ZINC001059201223 683200092 /nfs/dbraw/zinc/20/00/92/683200092.db2.gz WFVZAUZOKFQEBA-XYPYZODXSA-N -1 1 346.318 2.207 20 5 EEBDMM Cn1c(Cl)cnc1C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778255538 1207993274 /nfs/dbraw/zinc/99/32/74/1207993274.db2.gz PPHJCZPKDCPPAV-UHFFFAOYSA-N -1 1 344.705 2.390 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000867041943 1279914040 /nfs/dbraw/zinc/91/40/40/1279914040.db2.gz WPIKUQKODGVSCA-JGPRNRPPSA-N -1 1 346.380 2.277 20 5 EEBDMM O=c1cc[n-]c(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)c1[N+](=O)[O-] ZINC001225663315 1301115761 /nfs/dbraw/zinc/11/57/61/1301115761.db2.gz CUHFUFQDMUQONA-JTQLQIEISA-N -1 1 346.299 2.261 20 5 EEBDMM COC(=O)[C@@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])c1ccccc1F ZINC001231265109 1303712204 /nfs/dbraw/zinc/71/22/04/1303712204.db2.gz YKHBVBSCPGPPJD-ZDUSSCGKSA-N -1 1 336.275 2.436 20 5 EEBDMM C[C@@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784396483 1304477194 /nfs/dbraw/zinc/47/71/94/1304477194.db2.gz GWTUDFXEETZPAM-QPUJVOFHSA-N -1 1 334.781 2.094 20 5 EEBDMM O=C1CC(Oc2cc([O-])cc3oc4c(O)ccc(O)c4c(=O)c23)C1 ZINC001234123691 1304752445 /nfs/dbraw/zinc/75/24/45/1304752445.db2.gz GSNXCHZPNNUSMA-UHFFFAOYSA-N -1 1 328.276 2.173 20 5 EEBDMM COC(=O)c1cccc2ncc(Nc3ccc([O-])c([N+](=O)[O-])c3)n21 ZINC001210394121 1325263201 /nfs/dbraw/zinc/26/32/01/1325263201.db2.gz OQXLSQNIBDSMEE-UHFFFAOYSA-N -1 1 328.284 2.478 20 5 EEBDMM CN(c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)[C@@H](CO)CC(C)(C)C ZINC001609281519 1351920651 /nfs/dbraw/zinc/92/06/51/1351920651.db2.gz KMWGLOZTZKWZDI-LLVKDONJSA-N -1 1 334.380 2.008 20 5 EEBDMM CN(c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)[C@@H](CO)CC(C)(C)C ZINC001609281519 1351920663 /nfs/dbraw/zinc/92/06/63/1351920663.db2.gz KMWGLOZTZKWZDI-LLVKDONJSA-N -1 1 334.380 2.008 20 5 EEBDMM Cc1nc([C@H](C)[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)no1 ZINC001329115840 1334588344 /nfs/dbraw/zinc/58/83/44/1334588344.db2.gz ZAJNTLWXCJTEJJ-ZETCQYMHSA-N -1 1 342.258 2.135 20 5 EEBDMM Cc1ccc(-c2nnn[n-]2)nc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001609417193 1351968338 /nfs/dbraw/zinc/96/83/38/1351968338.db2.gz WXPIOFCFYTTXGK-UHFFFAOYSA-N -1 1 337.343 2.041 20 5 EEBDMM Cc1ccc(-c2nn[n-]n2)nc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001609417193 1351968340 /nfs/dbraw/zinc/96/83/40/1351968340.db2.gz WXPIOFCFYTTXGK-UHFFFAOYSA-N -1 1 337.343 2.041 20 5 EEBDMM C[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC001575416057 1343791828 /nfs/dbraw/zinc/79/18/28/1343791828.db2.gz FBLNQJWQIWEVDQ-PRHODGIISA-N -1 1 346.372 2.370 20 5 EEBDMM C[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC001575416057 1343791833 /nfs/dbraw/zinc/79/18/33/1343791833.db2.gz FBLNQJWQIWEVDQ-PRHODGIISA-N -1 1 346.372 2.370 20 5 EEBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592197373 1349603459 /nfs/dbraw/zinc/60/34/59/1349603459.db2.gz JPRRTIGBQWDCBX-UHFFFAOYSA-N -1 1 328.288 2.237 20 5 EEBDMM Cc1cnccc1CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592301015 1349618389 /nfs/dbraw/zinc/61/83/89/1349618389.db2.gz VJQGFEUQQGWZGF-UHFFFAOYSA-N -1 1 325.332 2.133 20 5 EEBDMM Cc1cnccc1CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592301015 1349618393 /nfs/dbraw/zinc/61/83/93/1349618393.db2.gz VJQGFEUQQGWZGF-UHFFFAOYSA-N -1 1 325.332 2.133 20 5 EEBDMM O=Cc1ccc(OCc2ccc(-c3nn[n-]n3)s2)c([N+](=O)[O-])c1 ZINC001593415764 1349798681 /nfs/dbraw/zinc/79/86/81/1349798681.db2.gz OHTJBHYVLJKQKO-UHFFFAOYSA-N -1 1 331.313 2.228 20 5 EEBDMM O=[N+]([O-])c1c(NC[C@@H]2CCC3(CCC3)O2)cccc1-c1nnn[n-]1 ZINC001593465341 1349802516 /nfs/dbraw/zinc/80/25/16/1349802516.db2.gz NEFUZKFVRNYPJS-JTQLQIEISA-N -1 1 330.348 2.289 20 5 EEBDMM O=[N+]([O-])c1c(NC[C@@H]2CCC3(CCC3)O2)cccc1-c1nn[n-]n1 ZINC001593465341 1349802521 /nfs/dbraw/zinc/80/25/21/1349802521.db2.gz NEFUZKFVRNYPJS-JTQLQIEISA-N -1 1 330.348 2.289 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1cnc(F)cc1Cl ZINC001593465708 1349802707 /nfs/dbraw/zinc/80/27/07/1349802707.db2.gz WYUGXUBWCCWLRI-UHFFFAOYSA-N -1 1 337.658 2.150 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1cnc(F)cc1Cl ZINC001593465708 1349802710 /nfs/dbraw/zinc/80/27/10/1349802710.db2.gz WYUGXUBWCCWLRI-UHFFFAOYSA-N -1 1 337.658 2.150 20 5 EEBDMM O=[N+]([O-])c1ccc(OCc2nc(-c3nnn[n-]3)cs2)c(Cl)c1 ZINC001593481810 1349813432 /nfs/dbraw/zinc/81/34/32/1349813432.db2.gz KCYAPQSNLYFIGI-UHFFFAOYSA-N -1 1 338.736 2.464 20 5 EEBDMM O=[N+]([O-])c1ccc(OCc2nc(-c3nn[n-]n3)cs2)c(Cl)c1 ZINC001593481810 1349813437 /nfs/dbraw/zinc/81/34/37/1349813437.db2.gz KCYAPQSNLYFIGI-UHFFFAOYSA-N -1 1 338.736 2.464 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@H](c2nccs2)C1 ZINC001593488208 1349816474 /nfs/dbraw/zinc/81/64/74/1349816474.db2.gz RYPIBAKYTORFBQ-ZETCQYMHSA-N -1 1 349.401 2.287 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@H](c2nccs2)C1 ZINC001593488208 1349816476 /nfs/dbraw/zinc/81/64/76/1349816476.db2.gz RYPIBAKYTORFBQ-ZETCQYMHSA-N -1 1 349.401 2.287 20 5 EEBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCCCc2ccnc(N)c2)n1 ZINC001600106710 1349972651 /nfs/dbraw/zinc/97/26/51/1349972651.db2.gz JONHECGOOWYGMB-UHFFFAOYSA-N -1 1 345.359 2.408 20 5 EEBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@](C)(C(=O)[O-])C1 ZINC001600488390 1350063837 /nfs/dbraw/zinc/06/38/37/1350063837.db2.gz SIPXLALZBJQJDH-MRXNPFEDSA-N -1 1 335.360 2.028 20 5 EEBDMM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001601770679 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O=[N+]([O-])c1cc(OCc2ccc(-c3nn[n-]n3)s2)cc([N+](=O)[O-])c1 ZINC001593474601 1349808591 /nfs/dbraw/zinc/80/85/91/1349808591.db2.gz PULCFOKZTOQGNO-UHFFFAOYSA-N -1 1 348.300 2.324 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1CCOC2(CCC2)C1 ZINC001593488501 1349815727 /nfs/dbraw/zinc/81/57/27/1349815727.db2.gz HFFOKMYHSXLAJN-MRVPVSSYSA-N -1 1 336.377 2.350 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1CCOC2(CCC2)C1 ZINC001593488501 1349815729 /nfs/dbraw/zinc/81/57/29/1349815729.db2.gz HFFOKMYHSXLAJN-MRVPVSSYSA-N -1 1 336.377 2.350 20 5 EEBDMM O=C([O-])[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC001601305866 1350253661 /nfs/dbraw/zinc/25/36/61/1350253661.db2.gz OZQFXVRRUGEEPF-OBJOEFQTSA-N -1 1 347.371 2.109 20 5 EEBDMM O=C([O-])c1coc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Cl)c1 ZINC001602557705 1350546099 /nfs/dbraw/zinc/54/60/99/1350546099.db2.gz BMYKWOIYPMHSKG-UHFFFAOYSA-N -1 1 346.704 2.340 20 5 EEBDMM C[C@@H]1C[C@H](CCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001603850931 1350783153 /nfs/dbraw/zinc/78/31/53/1350783153.db2.gz NJIPQRWVJBOIGF-GHMZBOCLSA-N -1 1 332.364 2.392 20 5 EEBDMM C[C@@H]1C[C@H](CCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001603850931 1350783156 /nfs/dbraw/zinc/78/31/56/1350783156.db2.gz NJIPQRWVJBOIGF-GHMZBOCLSA-N -1 1 332.364 2.392 20 5 EEBDMM CCOC(=O)[C@@H](CC)Sc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604362663 1350923781 /nfs/dbraw/zinc/92/37/81/1350923781.db2.gz LYFIDDFTVIYUNB-SECBINFHSA-N -1 1 337.361 2.209 20 5 EEBDMM CCOC(=O)[C@@H](CC)Sc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604362663 1350923783 /nfs/dbraw/zinc/92/37/83/1350923783.db2.gz LYFIDDFTVIYUNB-SECBINFHSA-N -1 1 337.361 2.209 20 5 EEBDMM O=[N+]([O-])c1cc(NC[C@H]2CCc3cccnc32)ccc1-c1nn[n-]n1 ZINC001607079893 1351408755 /nfs/dbraw/zinc/40/87/55/1351408755.db2.gz NRYRKWSAVXDXJP-LLVKDONJSA-N -1 1 337.343 2.312 20 5 EEBDMM Cc1cc(C2CCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])CC2)[nH]n1 ZINC001607635071 1351530047 /nfs/dbraw/zinc/53/00/47/1351530047.db2.gz OFFADVTVFHNEME-UHFFFAOYSA-N -1 1 331.332 2.104 20 5 EEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccco2)cc1Cl ZINC000798223269 1371574161 /nfs/dbraw/zinc/57/41/61/1371574161.db2.gz JTNAPTBUQGHCIE-UHFFFAOYSA-N -1 1 334.712 2.459 20 5 EEBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000820403553 785900324 /nfs/dbraw/zinc/90/03/24/785900324.db2.gz VWPGRJPLMNTPLE-UHFFFAOYSA-N -1 1 331.332 2.184 20 5 EEBDMM O=C(NC/C=C\CNc1cccc(F)c1[N+](=O)[O-])c1ncccc1[O-] ZINC001107139206 785983568 /nfs/dbraw/zinc/98/35/68/785983568.db2.gz IVCALXYDWWFOFV-UPHRSURJSA-N -1 1 346.318 2.233 20 5 EEBDMM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000173523776 791866756 /nfs/dbraw/zinc/86/67/56/791866756.db2.gz YQDSDSGYUKEZDR-SECBINFHSA-N -1 1 334.369 2.216 20 5 EEBDMM Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)c2ncccc2[O-])c1 ZINC001094375950 796184564 /nfs/dbraw/zinc/18/45/64/796184564.db2.gz WYJANKMFVVRKHZ-UHFFFAOYSA-N -1 1 330.344 2.236 20 5 EEBDMM COc1ccc2nc(N)n(-c3ccc(C(=O)[O-])c([N+](=O)[O-])c3)c2c1 ZINC001174502735 797784364 /nfs/dbraw/zinc/78/43/64/797784364.db2.gz ZRSTZYFZWONTRU-UHFFFAOYSA-N -1 1 328.284 2.223 20 5 EEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccc[nH]2)cc1Cl ZINC000798227109 805460354 /nfs/dbraw/zinc/46/03/54/805460354.db2.gz JPWMODUJWNXTRI-UHFFFAOYSA-N -1 1 333.728 2.194 20 5 EEBDMM O=C([O-])c1ccc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC001595232648 949362356 /nfs/dbraw/zinc/36/23/56/949362356.db2.gz QJHZMZRFZIROKO-UHFFFAOYSA-N -1 1 326.312 2.459 20 5 EEBDMM C[C@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)N1[C@H](C)CC[C@@H]1C ZINC001594303559 999175112 /nfs/dbraw/zinc/17/51/12/999175112.db2.gz XHLYVCFYNKPMDO-OUAUKWLOSA-N -1 1 335.360 2.493 20 5 EEBDMM CCS[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000174909327 159819963 /nfs/dbraw/zinc/81/99/63/159819963.db2.gz MCJHCMSDLPXTND-GXSJLCMTSA-N -1 1 325.390 2.490 20 5 EEBDMM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1ccccc1F ZINC000185752210 160047310 /nfs/dbraw/zinc/04/73/10/160047310.db2.gz MTNKBXFMFFPFHQ-SECBINFHSA-N -1 1 335.291 2.032 20 5 EEBDMM COCC(=O)Nc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000355793555 163303729 /nfs/dbraw/zinc/30/37/29/163303729.db2.gz LAZLKANSRKMUSX-UHFFFAOYSA-N -1 1 343.299 2.225 20 5 EEBDMM CC[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)OC ZINC000289673053 275137798 /nfs/dbraw/zinc/13/77/98/275137798.db2.gz WSLWGOLEJDTZFO-SSDOTTSWSA-N -1 1 340.760 2.091 20 5 EEBDMM CC(C)(C)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000133412842 278284451 /nfs/dbraw/zinc/28/44/51/278284451.db2.gz YUWRKKLPIMSLSP-UHFFFAOYSA-N -1 1 334.781 2.142 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)C2=CCCC2)c([N+](=O)[O-])n1 ZINC000416503104 313240319 /nfs/dbraw/zinc/24/03/19/313240319.db2.gz NZYVAUCEYAPNNQ-UHFFFAOYSA-N -1 1 342.421 2.226 20 5 EEBDMM C[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000416609546 313272385 /nfs/dbraw/zinc/27/23/85/313272385.db2.gz VGMGNEVCARZGAY-MRVPVSSYSA-N -1 1 326.296 2.462 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)CCCC(C)C)c([N+](=O)[O-])n1 ZINC000435798724 314924806 /nfs/dbraw/zinc/92/48/06/314924806.db2.gz JGSWEHNQXNCTIF-LLVKDONJSA-N -1 1 332.426 2.304 20 5 EEBDMM COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444996354 315336470 /nfs/dbraw/zinc/33/64/70/315336470.db2.gz BFOWXJCAWAYOKM-RHSMWYFYSA-N -1 1 343.339 2.164 20 5 EEBDMM C[C@@H](CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000544829334 318198036 /nfs/dbraw/zinc/19/80/36/318198036.db2.gz IHQFRDKLIFNDPU-LBPRGKRZSA-N -1 1 335.385 2.462 20 5 EEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000030529735 463302799 /nfs/dbraw/zinc/30/27/99/463302799.db2.gz SSFYZFGEMZQSBE-UHFFFAOYSA-N -1 1 336.325 2.433 20 5 EEBDMM Cc1nn(C)c(C(=O)[N-]c2nc(-c3ccccc3)ns2)c1[N+](=O)[O-] ZINC000098104944 463370113 /nfs/dbraw/zinc/37/01/13/463370113.db2.gz LVCHEWRQXQMHIS-UHFFFAOYSA-N -1 1 344.356 2.408 20 5 EEBDMM COc1cccc2c1CC[C@@H]2NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000150907808 463450140 /nfs/dbraw/zinc/45/01/40/463450140.db2.gz BBOFWTJAZDZFNB-ZDUSSCGKSA-N -1 1 329.312 2.121 20 5 EEBDMM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000269762145 464084335 /nfs/dbraw/zinc/08/43/35/464084335.db2.gz KAKXYDKSFZXYIG-GFCCVEGCSA-N -1 1 336.797 2.078 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1CCO ZINC000188911575 464394836 /nfs/dbraw/zinc/39/48/36/464394836.db2.gz ZVTXHIJZJHEFGC-GXSJLCMTSA-N -1 1 348.808 2.078 20 5 EEBDMM Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000298955866 465549486 /nfs/dbraw/zinc/54/94/86/465549486.db2.gz DKAIJGXILRIWOP-UHFFFAOYSA-N -1 1 328.328 2.376 20 5 EEBDMM CC(=O)c1cc(F)c([N-]C(=O)c2cc([N+](=O)[O-])nn2C)c(F)c1F ZINC000361877211 466372282 /nfs/dbraw/zinc/37/22/82/466372282.db2.gz KNLREULTXMHRMM-UHFFFAOYSA-N -1 1 342.233 2.201 20 5 EEBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000320695041 466612663 /nfs/dbraw/zinc/61/26/63/466612663.db2.gz QZPITUYUJLUDOM-UHFFFAOYSA-N -1 1 336.325 2.402 20 5 EEBDMM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000451981881 467293616 /nfs/dbraw/zinc/29/36/16/467293616.db2.gz FIGAIANIHDBFHM-PELKAZGASA-N -1 1 348.808 2.340 20 5 EEBDMM Cc1c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)[nH]nc1C1CC1 ZINC000768862246 577564435 /nfs/dbraw/zinc/56/44/35/577564435.db2.gz QPUOYXUPYSFYON-UHFFFAOYSA-N -1 1 328.375 2.366 20 5 EEBDMM C[C@H](CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000736570734 578212234 /nfs/dbraw/zinc/21/22/34/578212234.db2.gz GEXMQPWYVMNUFZ-BDAKNGLRSA-N -1 1 343.767 2.228 20 5 EEBDMM O=[N+]([O-])c1ccc(NC[C@H](O)c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000826499057 607451210 /nfs/dbraw/zinc/45/12/10/607451210.db2.gz UDMSHRRJLMKXIN-AWEZNQCLSA-N -1 1 344.306 2.060 20 5 EEBDMM O=[N+]([O-])c1ccc(NC[C@H](O)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826499057 607451212 /nfs/dbraw/zinc/45/12/12/607451212.db2.gz UDMSHRRJLMKXIN-AWEZNQCLSA-N -1 1 344.306 2.060 20 5 EEBDMM Cc1ccc([N+](=O)[O-])c(C)c1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826293328 607551801 /nfs/dbraw/zinc/55/18/01/607551801.db2.gz LEYSNXFKIDQSOY-UHFFFAOYSA-N -1 1 325.332 2.399 20 5 EEBDMM Cc1ccc([N+](=O)[O-])c(C)c1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826293328 607551803 /nfs/dbraw/zinc/55/18/03/607551803.db2.gz LEYSNXFKIDQSOY-UHFFFAOYSA-N -1 1 325.332 2.399 20 5 EEBDMM Cc1cccc(C)c1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822294355 607038991 /nfs/dbraw/zinc/03/89/91/607038991.db2.gz XZSWRMJAQBUCCW-UHFFFAOYSA-N -1 1 339.359 2.441 20 5 EEBDMM Cc1cccc(C)c1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822294355 607038992 /nfs/dbraw/zinc/03/89/92/607038992.db2.gz XZSWRMJAQBUCCW-UHFFFAOYSA-N -1 1 339.359 2.441 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCSc1ccccc1 ZINC000823625149 607165383 /nfs/dbraw/zinc/16/53/83/607165383.db2.gz QUXNDJUGIDLDCX-UHFFFAOYSA-N -1 1 343.372 2.374 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCSc1ccccc1 ZINC000823625149 607165384 /nfs/dbraw/zinc/16/53/84/607165384.db2.gz QUXNDJUGIDLDCX-UHFFFAOYSA-N -1 1 343.372 2.374 20 5 EEBDMM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000841561219 1187148311 /nfs/dbraw/zinc/14/83/11/1187148311.db2.gz RETUVVQYDQYWTO-YMTOWFKASA-N -1 1 346.380 2.216 20 5 EEBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1CCC(C)CC1 ZINC000780075266 1236628219 /nfs/dbraw/zinc/62/82/19/1236628219.db2.gz NFHRLIOERNHWBB-LLVKDONJSA-N -1 1 336.344 2.104 20 5 EEBDMM COC(=O)c1cc2cc(N)cnc2n1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001199819525 1285820301 /nfs/dbraw/zinc/82/03/01/1285820301.db2.gz WQPWAYQTTFWHPL-UHFFFAOYSA-N -1 1 328.284 2.008 20 5 EEBDMM C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000828374777 1314455351 /nfs/dbraw/zinc/45/53/51/1314455351.db2.gz XKRBMDABQOKQFH-VXNVDRBHSA-N -1 1 336.822 2.421 20 5 EEBDMM CC1=C(Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C(=O)O[C@@H]1C ZINC001228860572 1302488447 /nfs/dbraw/zinc/48/84/47/1302488447.db2.gz WHONSLNDWIYUJD-RXMQYKEDSA-N -1 1 334.206 2.312 20 5 EEBDMM Cc1cc([O-])c(OC2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-] ZINC001229751218 1302934878 /nfs/dbraw/zinc/93/48/78/1302934878.db2.gz STCXWMMSOPFLHQ-UHFFFAOYSA-N -1 1 330.344 2.447 20 5 EEBDMM CN(C)S(=O)(=O)c1ccc(Nc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC001204467823 1322150813 /nfs/dbraw/zinc/15/08/13/1322150813.db2.gz ALXXNZRQFRNYRC-UHFFFAOYSA-N -1 1 337.357 2.294 20 5 EEBDMM CC(C)(C)[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001609074390 1351831534 /nfs/dbraw/zinc/83/15/34/1351831534.db2.gz NPIDJGBMFLFOEO-JTQLQIEISA-N -1 1 331.380 2.432 20 5 EEBDMM CC(C)(C)[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001609074390 1351831536 /nfs/dbraw/zinc/83/15/36/1351831536.db2.gz NPIDJGBMFLFOEO-JTQLQIEISA-N -1 1 331.380 2.432 20 5 EEBDMM C[C@@H](O)c1ccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC001609129927 1351853807 /nfs/dbraw/zinc/85/38/07/1351853807.db2.gz FMPQRGKHGSHZSH-SNVBAGLBSA-N -1 1 340.343 2.440 20 5 EEBDMM O=[N+]([O-])c1c(Cl)cccc1OCc1ccnc(-c2nnn[n-]2)c1 ZINC001609599933 1352029662 /nfs/dbraw/zinc/02/96/62/1352029662.db2.gz IQAZXRVPMXLTNZ-UHFFFAOYSA-N -1 1 332.707 2.402 20 5 EEBDMM O=[N+]([O-])c1c(Cl)cccc1OCc1ccnc(-c2nn[n-]n2)c1 ZINC001609599933 1352029664 /nfs/dbraw/zinc/02/96/64/1352029664.db2.gz IQAZXRVPMXLTNZ-UHFFFAOYSA-N -1 1 332.707 2.402 20 5 EEBDMM CC(C)[C@@H]1C[C@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001589499448 1348996013 /nfs/dbraw/zinc/99/60/13/1348996013.db2.gz PZLRUCAOXCSHKD-PWSUYJOCSA-N -1 1 347.379 2.033 20 5 EEBDMM CC(C)[C@@H]1C[C@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001589499448 1348996016 /nfs/dbraw/zinc/99/60/16/1348996016.db2.gz PZLRUCAOXCSHKD-PWSUYJOCSA-N -1 1 347.379 2.033 20 5 EEBDMM CC1(C)C[C@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001590080756 1349142421 /nfs/dbraw/zinc/14/24/21/1349142421.db2.gz PZNZHVAZAODQHC-SNVBAGLBSA-N -1 1 332.364 2.392 20 5 EEBDMM CC1(C)C[C@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001590080756 1349142427 /nfs/dbraw/zinc/14/24/27/1349142427.db2.gz PZNZHVAZAODQHC-SNVBAGLBSA-N -1 1 332.364 2.392 20 5 EEBDMM C[C@H]1CC[C@]2(CCN(c3cc(N)c([N+](=O)[O-])c(-c4nnn[n-]4)c3)C2)C1 ZINC001590240063 1349220317 /nfs/dbraw/zinc/22/03/17/1349220317.db2.gz LSISIYNMADCUSS-QFYYESIMSA-N -1 1 343.391 2.374 20 5 EEBDMM C[C@H]1CC[C@]2(CCN(c3cc(N)c([N+](=O)[O-])c(-c4nn[n-]n4)c3)C2)C1 ZINC001590240063 1349220319 /nfs/dbraw/zinc/22/03/19/1349220319.db2.gz LSISIYNMADCUSS-QFYYESIMSA-N -1 1 343.391 2.374 20 5 EEBDMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCC1(F)F ZINC001590314957 1349260397 /nfs/dbraw/zinc/26/03/97/1349260397.db2.gz UYSILYRJSOKMBZ-ZCFIWIBFSA-N -1 1 330.320 2.318 20 5 EEBDMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCC1(F)F ZINC001590314957 1349260403 /nfs/dbraw/zinc/26/04/03/1349260403.db2.gz UYSILYRJSOKMBZ-ZCFIWIBFSA-N -1 1 330.320 2.318 20 5 EEBDMM CC[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001590472571 1349346193 /nfs/dbraw/zinc/34/61/93/1349346193.db2.gz UJLPSJQSUSWKMA-DTWKUNHWSA-N -1 1 338.393 2.454 20 5 EEBDMM CC[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001590472571 1349346196 /nfs/dbraw/zinc/34/61/96/1349346196.db2.gz UJLPSJQSUSWKMA-DTWKUNHWSA-N -1 1 338.393 2.454 20 5 EEBDMM CCCC[C@@](C)(CO)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590573658 1349371912 /nfs/dbraw/zinc/37/19/12/1349371912.db2.gz DOPMPCLLJHDKEG-LBPRGKRZSA-N -1 1 326.382 2.190 20 5 EEBDMM CCCC[C@@](C)(CO)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590573658 1349371918 /nfs/dbraw/zinc/37/19/18/1349371918.db2.gz DOPMPCLLJHDKEG-LBPRGKRZSA-N -1 1 326.382 2.190 20 5 EEBDMM CCc1nnc(Sc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC001590934036 1349420224 /nfs/dbraw/zinc/42/02/24/1349420224.db2.gz RVFWMLHPZAYCAF-UHFFFAOYSA-N -1 1 337.296 2.011 20 5 EEBDMM Cc1cc(NCC2([C@@H](O)C(C)C)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592041983 1349587491 /nfs/dbraw/zinc/58/74/91/1349587491.db2.gz ZTUYYSKFZKDPMC-AWEZNQCLSA-N -1 1 346.391 2.292 20 5 EEBDMM Cc1cc(NCC2([C@@H](O)C(C)C)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592041983 1349587497 /nfs/dbraw/zinc/58/74/97/1349587497.db2.gz ZTUYYSKFZKDPMC-AWEZNQCLSA-N -1 1 346.391 2.292 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCOC2(CCCCC2)C1 ZINC001593466570 1349803182 /nfs/dbraw/zinc/80/31/82/1349803182.db2.gz SGKAMIAXCOFARU-UHFFFAOYSA-N -1 1 344.375 2.314 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCOC2(CCCCC2)C1 ZINC001593466570 1349803187 /nfs/dbraw/zinc/80/31/87/1349803187.db2.gz SGKAMIAXCOFARU-UHFFFAOYSA-N -1 1 344.375 2.314 20 5 EEBDMM O=[N+]([O-])c1c(NC[C@@H]2C[C@H]2C(F)(F)F)cccc1-c1nnn[n-]1 ZINC001593469548 1349804474 /nfs/dbraw/zinc/80/44/74/1349804474.db2.gz VODQNYMLVIDXLN-POYBYMJQSA-N -1 1 328.254 2.385 20 5 EEBDMM O=[N+]([O-])c1c(NC[C@@H]2C[C@H]2C(F)(F)F)cccc1-c1nn[n-]n1 ZINC001593469548 1349804482 /nfs/dbraw/zinc/80/44/82/1349804482.db2.gz VODQNYMLVIDXLN-POYBYMJQSA-N -1 1 328.254 2.385 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H](CCO)C1CCCC1 ZINC001593488480 1349816269 /nfs/dbraw/zinc/81/62/69/1349816269.db2.gz YWPPMCRFSKRLMA-VIFPVBQESA-N -1 1 338.393 2.190 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H](CCO)C1CCCC1 ZINC001593488480 1349816273 /nfs/dbraw/zinc/81/62/73/1349816273.db2.gz YWPPMCRFSKRLMA-VIFPVBQESA-N -1 1 338.393 2.190 20 5 EEBDMM O=C([O-])[C@H]1[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC001602204417 1350464950 /nfs/dbraw/zinc/46/49/50/1350464950.db2.gz LIQDPSCOWCPZAO-IAZYJMLFSA-N -1 1 330.262 2.376 20 5 EEBDMM O=C([O-])[C@]12CCC[C@H]1N(Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC001602222816 1350469740 /nfs/dbraw/zinc/46/97/40/1350469740.db2.gz HFEQICUBIBUCSE-CJNGLKHVSA-N -1 1 330.344 2.300 20 5 EEBDMM CC(C)[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC001603230822 1350666348 /nfs/dbraw/zinc/66/63/48/1350666348.db2.gz BAHLOWVIPOJSGG-CQSZACIVSA-N -1 1 342.363 2.318 20 5 EEBDMM C[C@]1(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCCC[C@H]1O ZINC001603807235 1350772584 /nfs/dbraw/zinc/77/25/84/1350772584.db2.gz OTGBMIUCPJCNJZ-UKRRQHHQSA-N -1 1 332.364 2.128 20 5 EEBDMM CCOc1cc(OCc2ccnc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC001604452398 1350940545 /nfs/dbraw/zinc/94/05/45/1350940545.db2.gz WNWGBLJXWQQUTI-UHFFFAOYSA-N -1 1 342.315 2.148 20 5 EEBDMM CCOc1cc(OCc2ccnc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC001604452398 1350940548 /nfs/dbraw/zinc/94/05/48/1350940548.db2.gz WNWGBLJXWQQUTI-UHFFFAOYSA-N -1 1 342.315 2.148 20 5 EEBDMM CCOc1cc(Oc2ccncc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604451081 1350940599 /nfs/dbraw/zinc/94/05/99/1350940599.db2.gz FGHMTKIHTZLJPQ-UHFFFAOYSA-N -1 1 328.288 2.361 20 5 EEBDMM O=[N+]([O-])c1cc(NCCc2ccc(Cl)nc2)ccc1-c1nn[n-]n1 ZINC001607080565 1351409357 /nfs/dbraw/zinc/40/93/57/1351409357.db2.gz WXMUZTPBABTIGR-UHFFFAOYSA-N -1 1 345.750 2.478 20 5 EEBDMM c1nnc(-c2nn[n-]n2)n1Cc1nc2ccccc2c2ccccc21 ZINC001607131606 1351433015 /nfs/dbraw/zinc/43/30/15/1351433015.db2.gz GHFPZLGWQFOOAZ-UHFFFAOYSA-N -1 1 328.339 2.208 20 5 EEBDMM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000790405660 808661382 /nfs/dbraw/zinc/66/13/82/808661382.db2.gz YUOBTWLUSOCHFE-UHFFFAOYSA-N -1 1 343.748 2.458 20 5 EEBDMM COCN1C(=O)CCc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc21 ZINC000793908007 810581902 /nfs/dbraw/zinc/58/19/02/810581902.db2.gz CKVWYPBTKYWNLE-UHFFFAOYSA-N -1 1 344.327 2.058 20 5 EEBDMM N[C@@H](CC(=O)[O-])c1noc(-c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC001594660698 956533349 /nfs/dbraw/zinc/53/33/49/956533349.db2.gz MGANMIIUAORTAG-QMMMGPOBSA-N -1 1 334.313 2.334 20 5 EEBDMM CC(C)(C)c1ccc(-c2nc([C@@H](N)CC(=O)[O-])no2)cc1[N+](=O)[O-] ZINC001588739662 961156246 /nfs/dbraw/zinc/15/62/46/961156246.db2.gz VSAYAWOYQCYPSV-JTQLQIEISA-N -1 1 334.332 2.417 20 5 EEBDMM O=C([O-])c1cccc2c1CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000851706962 979574087 /nfs/dbraw/zinc/57/40/87/979574087.db2.gz OADBZYLNDCQVRT-KRWDZBQOSA-N -1 1 342.351 2.385 20 5 EEBDMM CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cccc(F)c1 ZINC000022682777 212315868 /nfs/dbraw/zinc/31/58/68/212315868.db2.gz YGTACIMDQGETMA-OAHLLOKOSA-N -1 1 347.346 2.472 20 5 EEBDMM O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193525179 240199774 /nfs/dbraw/zinc/19/97/74/240199774.db2.gz VAUDZQZCYBKGEG-LSDHHAIUSA-N -1 1 343.339 2.346 20 5 EEBDMM CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000267443620 256059586 /nfs/dbraw/zinc/05/95/86/256059586.db2.gz YOLZTDRBXANUQO-UHFFFAOYSA-N -1 1 346.343 2.276 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1cccnc1 ZINC000119533677 221342150 /nfs/dbraw/zinc/34/21/50/221342150.db2.gz JCCMUFRISCBWED-UHFFFAOYSA-N -1 1 341.776 2.164 20 5 EEBDMM COc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc([N+](=O)[O-])c1C ZINC000189911194 533559858 /nfs/dbraw/zinc/55/98/58/533559858.db2.gz FBINCWPVTCSWQY-UHFFFAOYSA-N -1 1 345.237 2.301 20 5 EEBDMM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccccn2)n[nH]1 ZINC000125505379 292297473 /nfs/dbraw/zinc/29/74/73/292297473.db2.gz SCNFLJCCFPLGLS-UHFFFAOYSA-N -1 1 338.327 2.346 20 5 EEBDMM Cc1cc(C(=O)NCc2n[n-]c(=S)n2C2CC2)c(N)c([N+](=O)[O-])c1 ZINC000066637478 159001590 /nfs/dbraw/zinc/00/15/90/159001590.db2.gz XQXUHEWRRAKZKI-UHFFFAOYSA-N -1 1 348.388 2.004 20 5 EEBDMM CCc1cnc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])o1 ZINC000274740540 274219949 /nfs/dbraw/zinc/21/99/49/274219949.db2.gz VSHINUODCMEVTQ-UHFFFAOYSA-N -1 1 339.373 2.241 20 5 EEBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(F)(F)F ZINC000288713948 275081957 /nfs/dbraw/zinc/08/19/57/275081957.db2.gz ZFMPUBXNZRTBRS-YFKPBYRVSA-N -1 1 332.687 2.477 20 5 EEBDMM CN1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])[C@H](c2ccccc2)C1 ZINC000436906866 315010987 /nfs/dbraw/zinc/01/09/87/315010987.db2.gz RJZREYTVBOHBFQ-GJZGRUSLSA-N -1 1 341.367 2.128 20 5 EEBDMM C[C@H](CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000544829333 318198131 /nfs/dbraw/zinc/19/81/31/318198131.db2.gz IHQFRDKLIFNDPU-GFCCVEGCSA-N -1 1 335.385 2.462 20 5 EEBDMM CC1=C(Br)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000280764395 464250024 /nfs/dbraw/zinc/25/00/24/464250024.db2.gz MEKQFNGKAZBJJB-UHFFFAOYSA-N -1 1 342.149 2.210 20 5 EEBDMM CCOC(=O)c1cnc(NC(=O)CCc2cccc([N+](=O)[O-])c2)[n-]1 ZINC000339169533 465122073 /nfs/dbraw/zinc/12/20/73/465122073.db2.gz VZZQGVHVNFDTPR-UHFFFAOYSA-N -1 1 332.316 2.066 20 5 EEBDMM CCOC(=O)c1c[n-]c(NC(=O)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000339169533 465122077 /nfs/dbraw/zinc/12/20/77/465122077.db2.gz VZZQGVHVNFDTPR-UHFFFAOYSA-N -1 1 332.316 2.066 20 5 EEBDMM O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000339206264 465142189 /nfs/dbraw/zinc/14/21/89/465142189.db2.gz RMCNZEJZCSBNAZ-LBPRGKRZSA-N -1 1 346.343 2.022 20 5 EEBDMM CSc1nc(C)c(CCC(=O)Oc2cccc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000054564494 463244468 /nfs/dbraw/zinc/24/44/68/463244468.db2.gz ZBKFWLZXSVXGCN-UHFFFAOYSA-N -1 1 349.368 2.247 20 5 EEBDMM O=C([O-])c1cnn(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000568522763 468350463 /nfs/dbraw/zinc/35/04/63/468350463.db2.gz BHRANAQJTRIREW-UHFFFAOYSA-N -1 1 330.344 2.327 20 5 EEBDMM C[C@H](c1ccccc1)[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000080801347 463358274 /nfs/dbraw/zinc/35/82/74/463358274.db2.gz VBVNCVQKORNUTA-RYUDHWBXSA-N -1 1 335.385 2.460 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190632743 464691451 /nfs/dbraw/zinc/69/14/51/464691451.db2.gz QLLYXSYMAOASFI-UISBYWKRSA-N -1 1 346.792 2.094 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCSC1 ZINC000267246579 464923577 /nfs/dbraw/zinc/92/35/77/464923577.db2.gz YQMDGMPIBVYSFZ-VIFPVBQESA-N -1 1 336.822 2.422 20 5 EEBDMM C[C@@]1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCOC1 ZINC000357423316 466024458 /nfs/dbraw/zinc/02/44/58/466024458.db2.gz WCHFKHPDUXOIRF-GFCCVEGCSA-N -1 1 334.781 2.096 20 5 EEBDMM O=C([C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000331723192 466217313 /nfs/dbraw/zinc/21/73/13/466217313.db2.gz LORFIMOBXARGTR-CYBMUJFWSA-N -1 1 333.388 2.135 20 5 EEBDMM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000339007797 466565784 /nfs/dbraw/zinc/56/57/84/466565784.db2.gz PCGBWGARWRAACF-UHFFFAOYSA-N -1 1 339.373 2.241 20 5 EEBDMM Cc1c(NC(=O)[C@@H](C)N2CCC[C@H](CC(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000532881955 468148208 /nfs/dbraw/zinc/14/82/08/468148208.db2.gz YKIGRXDZVIUGHS-CHWSQXEVSA-N -1 1 349.387 2.417 20 5 EEBDMM Cc1cc(NCCN2CCSCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592969209 468831137 /nfs/dbraw/zinc/83/11/37/468831137.db2.gz FMGHUDKKGQPWTQ-UHFFFAOYSA-N -1 1 325.390 2.062 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCCc1ccccc1 ZINC000610260317 469996061 /nfs/dbraw/zinc/99/60/61/469996061.db2.gz SHWWANYYJKGLKF-UHFFFAOYSA-N -1 1 335.385 2.291 20 5 EEBDMM CCCC[C@H](COC)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000129020862 528967399 /nfs/dbraw/zinc/96/73/99/528967399.db2.gz JRWXAMPOBNZRSM-SNVBAGLBSA-N -1 1 334.369 2.217 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCCO1 ZINC000725827576 576052788 /nfs/dbraw/zinc/05/27/88/576052788.db2.gz VOLKGQLIDPURKB-SNVBAGLBSA-N -1 1 334.781 2.096 20 5 EEBDMM O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccccc2F)cc1-c1nnn[n-]1 ZINC000826498931 607451141 /nfs/dbraw/zinc/45/11/41/607451141.db2.gz OSVWGZWSSQMQNB-CQSZACIVSA-N -1 1 344.306 2.060 20 5 EEBDMM O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccccc2F)cc1-c1nn[n-]n1 ZINC000826498931 607451143 /nfs/dbraw/zinc/45/11/43/607451143.db2.gz OSVWGZWSSQMQNB-CQSZACIVSA-N -1 1 344.306 2.060 20 5 EEBDMM O=[N+]([O-])c1cc(N[C@H](CCO)c2cccs2)ccc1-c1nn[n-]n1 ZINC000823635332 606646109 /nfs/dbraw/zinc/64/61/09/606646109.db2.gz VXPBHGZGUQHZIM-LLVKDONJSA-N -1 1 346.372 2.372 20 5 EEBDMM Cc1ccc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C)c1 ZINC000822235967 606703587 /nfs/dbraw/zinc/70/35/87/606703587.db2.gz DLFGHFFHQZMGLV-UHFFFAOYSA-N -1 1 339.359 2.441 20 5 EEBDMM Cc1ccc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(C)c1 ZINC000822235967 606703589 /nfs/dbraw/zinc/70/35/89/606703589.db2.gz DLFGHFFHQZMGLV-UHFFFAOYSA-N -1 1 339.359 2.441 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCc2ccc(F)cc21 ZINC000823619986 606708981 /nfs/dbraw/zinc/70/89/81/606708981.db2.gz FGEVASWOHBCLHK-GFCCVEGCSA-N -1 1 341.306 2.408 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCc2ccc(F)cc21 ZINC000823619986 606708983 /nfs/dbraw/zinc/70/89/83/606708983.db2.gz FGEVASWOHBCLHK-GFCCVEGCSA-N -1 1 341.306 2.408 20 5 EEBDMM CC(C)[C@@H]1OCCC[C@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820051014 606714686 /nfs/dbraw/zinc/71/46/86/606714686.db2.gz JADVCEKWZLFSHS-GWCFXTLKSA-N -1 1 347.379 2.033 20 5 EEBDMM CC(C)[C@@H]1OCCC[C@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820051014 606714688 /nfs/dbraw/zinc/71/46/88/606714688.db2.gz JADVCEKWZLFSHS-GWCFXTLKSA-N -1 1 347.379 2.033 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC=C(c2ccccc2)C1 ZINC000826497176 608584987 /nfs/dbraw/zinc/58/49/87/608584987.db2.gz WZEKSQCFFNPPEZ-UHFFFAOYSA-N -1 1 335.327 2.074 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC=C(c2ccccc2)C1 ZINC000826497176 608584988 /nfs/dbraw/zinc/58/49/88/608584988.db2.gz WZEKSQCFFNPPEZ-UHFFFAOYSA-N -1 1 335.327 2.074 20 5 EEBDMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1[N+](=O)[O-] ZINC000826270966 609244840 /nfs/dbraw/zinc/24/48/40/609244840.db2.gz WFMWXBUENLJAOY-UHFFFAOYSA-N -1 1 330.329 2.397 20 5 EEBDMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1[N+](=O)[O-] ZINC000826270966 609244842 /nfs/dbraw/zinc/24/48/42/609244842.db2.gz WFMWXBUENLJAOY-UHFFFAOYSA-N -1 1 330.329 2.397 20 5 EEBDMM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000796107841 685564344 /nfs/dbraw/zinc/56/43/44/685564344.db2.gz NJRQDQXBNYHTJP-IONNQARKSA-N -1 1 336.822 2.278 20 5 EEBDMM CC[C@@H](COC)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815016704 1197828236 /nfs/dbraw/zinc/82/82/36/1197828236.db2.gz MAEBWJCBHGGUCO-ZETCQYMHSA-N -1 1 340.760 2.091 20 5 EEBDMM Cc1cncc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000120912867 1201434451 /nfs/dbraw/zinc/43/44/51/1201434451.db2.gz IXRWPZPSOSYKPH-UHFFFAOYSA-N -1 1 341.776 2.430 20 5 EEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCOc1ccccc1 ZINC000047671552 1208421483 /nfs/dbraw/zinc/42/14/83/1208421483.db2.gz KOFBLTYTIMLDLE-UHFFFAOYSA-N -1 1 340.332 2.091 20 5 EEBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1CCC(C)CC1 ZINC000780075271 1236628246 /nfs/dbraw/zinc/62/82/46/1236628246.db2.gz NFHRLIOERNHWBB-NSHDSACASA-N -1 1 336.344 2.104 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCO[C@H](C)C2)cc1F ZINC000867047400 1280174884 /nfs/dbraw/zinc/17/48/84/1280174884.db2.gz OKKJCAZITHTPGX-MNOVXSKESA-N -1 1 346.380 2.136 20 5 EEBDMM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000076946847 1280431970 /nfs/dbraw/zinc/43/19/70/1280431970.db2.gz SCDXUEKCLYVLHO-UHFFFAOYSA-N -1 1 344.253 2.050 20 5 EEBDMM O=c1cccc2oc3cc([O-])c(O[C@@H]4CCC[NH2+]C4)cc3c([O-])c1-2 ZINC001218281581 1297621435 /nfs/dbraw/zinc/62/14/35/1297621435.db2.gz IMVNXVIYRWQOMQ-SNVBAGLBSA-N -1 1 327.336 2.488 20 5 EEBDMM CC(C)OC(=O)N1CCC(Oc2[n-]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225666504 1301117386 /nfs/dbraw/zinc/11/73/86/1301117386.db2.gz JSXVGRGVDSHMOD-UHFFFAOYSA-N -1 1 325.321 2.084 20 5 EEBDMM CC(=O)N1CCC[C@@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228860631 1302488850 /nfs/dbraw/zinc/48/88/50/1302488850.db2.gz WQDJIYUZQCYLOV-MRVPVSSYSA-N -1 1 349.265 2.104 20 5 EEBDMM O=c1oc2cc([O-])ccc2c2cc(O[C@@H]3COC[C@H]3F)c(O)cc12 ZINC001229801694 1302950451 /nfs/dbraw/zinc/95/04/51/1302950451.db2.gz HBJIBDKHZVJRRN-MLGOLLRUSA-N -1 1 332.283 2.473 20 5 EEBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001231260006 1303707666 /nfs/dbraw/zinc/70/76/66/1303707666.db2.gz QQFAXBBNOYSTAA-LBPRGKRZSA-N -1 1 331.284 2.458 20 5 EEBDMM C[C@@H]1CN(CCc2nnc(-c3cc([O-])ccc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC001258146589 1319189786 /nfs/dbraw/zinc/18/97/86/1319189786.db2.gz PIJBYWTYCBXILJ-PHIMTYICSA-N -1 1 348.359 2.002 20 5 EEBDMM C[C@]1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCCC[C@H]1O ZINC001609149524 1351862291 /nfs/dbraw/zinc/86/22/91/1351862291.db2.gz PDYXTOMZLLTNRJ-UKRRQHHQSA-N -1 1 332.364 2.128 20 5 EEBDMM C[C@]1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCCC[C@H]1O ZINC001609149524 1351862299 /nfs/dbraw/zinc/86/22/99/1351862299.db2.gz PDYXTOMZLLTNRJ-UKRRQHHQSA-N -1 1 332.364 2.128 20 5 EEBDMM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001609636985 1352047268 /nfs/dbraw/zinc/04/72/68/1352047268.db2.gz BEIFFZMSTDEEKP-BDJLRTHQSA-N -1 1 335.360 2.109 20 5 EEBDMM CC(C)(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC001589104144 1348959939 /nfs/dbraw/zinc/95/99/39/1348959939.db2.gz AOFSNBVNZWHDTI-JSGCOSHPSA-N -1 1 346.391 2.008 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC2(CC2(F)F)CC1 ZINC001593466913 1349804104 /nfs/dbraw/zinc/80/41/04/1349804104.db2.gz PDJXRJKBTBSUIH-UHFFFAOYSA-N -1 1 336.302 2.401 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC2(CC2(F)F)CC1 ZINC001593466913 1349804107 /nfs/dbraw/zinc/80/41/07/1349804107.db2.gz PDJXRJKBTBSUIH-UHFFFAOYSA-N -1 1 336.302 2.401 20 5 EEBDMM O=[N+]([O-])c1cc(NCCCO[C@H]2CCCCO2)ccc1-c1nn[n-]n1 ZINC001593474010 1349808218 /nfs/dbraw/zinc/80/82/18/1349808218.db2.gz NNXJSILPAWGZLB-AWEZNQCLSA-N -1 1 348.363 2.120 20 5 EEBDMM O=[N+]([O-])c1ccc(NCC2(CCO)CCCC2)cc1-c1nnn[n-]1 ZINC001593477744 1349810115 /nfs/dbraw/zinc/81/01/15/1349810115.db2.gz CCHYHIYZGZYQET-UHFFFAOYSA-N -1 1 332.364 2.130 20 5 EEBDMM O=[N+]([O-])c1ccc(NCC2(CCO)CCCC2)cc1-c1nn[n-]n1 ZINC001593477744 1349810119 /nfs/dbraw/zinc/81/01/19/1349810119.db2.gz CCHYHIYZGZYQET-UHFFFAOYSA-N -1 1 332.364 2.130 20 5 EEBDMM O=C([O-])[C@]1(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOC1 ZINC001601720354 1350347477 /nfs/dbraw/zinc/34/74/77/1350347477.db2.gz OPHAPYPDRPVURF-LBPRGKRZSA-N -1 1 335.143 2.235 20 5 EEBDMM CN(C)c1ccccc1CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604701997 1350988184 /nfs/dbraw/zinc/98/81/84/1350988184.db2.gz CTUAVAIDNKRXRU-UHFFFAOYSA-N -1 1 339.359 2.453 20 5 EEBDMM CN(C)c1ccccc1CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604701997 1350988185 /nfs/dbraw/zinc/98/81/85/1350988185.db2.gz CTUAVAIDNKRXRU-UHFFFAOYSA-N -1 1 339.359 2.453 20 5 EEBDMM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nn[n-]n2)o1 ZINC001606979182 1351391107 /nfs/dbraw/zinc/39/11/07/1351391107.db2.gz ZXUYNNUGMAXDKO-UHFFFAOYSA-N -1 1 349.690 2.378 20 5 EEBDMM O=[N+]([O-])c1c(Nc2cccc(CCCO)c2)cccc1-c1nnn[n-]1 ZINC001607078330 1351407839 /nfs/dbraw/zinc/40/78/39/1351407839.db2.gz VDRKBLXILGUAMW-UHFFFAOYSA-N -1 1 340.343 2.443 20 5 EEBDMM O=[N+]([O-])c1c(Nc2cccc(CCCO)c2)cccc1-c1nn[n-]n1 ZINC001607078330 1351407840 /nfs/dbraw/zinc/40/78/40/1351407840.db2.gz VDRKBLXILGUAMW-UHFFFAOYSA-N -1 1 340.343 2.443 20 5 EEBDMM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000798542190 1371589284 /nfs/dbraw/zinc/58/92/84/1371589284.db2.gz JTAIJJMVOXIWEN-UHFFFAOYSA-N -1 1 349.303 2.370 20 5 EEBDMM C[C@@H](COC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1)[N+](=O)[O-] ZINC000835453650 1372625429 /nfs/dbraw/zinc/62/54/29/1372625429.db2.gz FKOGGNACFOWMTN-NSHDSACASA-N -1 1 332.312 2.194 20 5 EEBDMM CCOC(=O)C[C@@H](C)CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590761187 1403898843 /nfs/dbraw/zinc/89/88/43/1403898843.db2.gz RYLACAXJZUUDNR-SECBINFHSA-N -1 1 348.363 2.085 20 5 EEBDMM CCOC(=O)C[C@@H](C)CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590761187 1403898847 /nfs/dbraw/zinc/89/88/47/1403898847.db2.gz RYLACAXJZUUDNR-SECBINFHSA-N -1 1 348.363 2.085 20 5 EEBDMM COCC1CCC(Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001591392399 1403909084 /nfs/dbraw/zinc/90/90/84/1403909084.db2.gz MGIDMJVHMOEWAR-UHFFFAOYSA-N -1 1 332.364 2.392 20 5 EEBDMM COCC1CCC(Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001591392399 1403909087 /nfs/dbraw/zinc/90/90/87/1403909087.db2.gz MGIDMJVHMOEWAR-UHFFFAOYSA-N -1 1 332.364 2.392 20 5 EEBDMM O=C(Nc1nc(Cl)ccc1[O-])c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000790050487 808376913 /nfs/dbraw/zinc/37/69/13/808376913.db2.gz BXJSMNFHJMEKPL-UHFFFAOYSA-N -1 1 337.675 2.330 20 5 EEBDMM C[C@@H](NC(=O)N=c1ccnc2n(C)[n-]cc1-2)c1cccc([N+](=O)[O-])c1 ZINC000806481686 811893344 /nfs/dbraw/zinc/89/33/44/811893344.db2.gz NHIXKIQMQCDGEI-SNVBAGLBSA-N -1 1 340.343 2.133 20 5 EEBDMM CC[C@]1(C(=O)[O-])CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001573822651 960976746 /nfs/dbraw/zinc/97/67/46/960976746.db2.gz PFLKOFABCMCCNC-PXAZEXFGSA-N -1 1 349.387 2.499 20 5 EEBDMM O=C(NCc1coc(-c2cccs2)n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000010881566 211193088 /nfs/dbraw/zinc/19/30/88/211193088.db2.gz VMGOJIAXCGHNRB-UHFFFAOYSA-N -1 1 346.324 2.342 20 5 EEBDMM Cc1cc(F)cc(C(=O)[N-]c2nc3ccc(F)cn3n2)c1[N+](=O)[O-] ZINC000095415320 218353356 /nfs/dbraw/zinc/35/33/56/218353356.db2.gz MTIZACHDAUWHFH-UHFFFAOYSA-N -1 1 333.254 2.476 20 5 EEBDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000267066970 256023853 /nfs/dbraw/zinc/02/38/53/256023853.db2.gz YJXGGKWZUHIERU-UHFFFAOYSA-N -1 1 348.384 2.093 20 5 EEBDMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187191073 160095470 /nfs/dbraw/zinc/09/54/70/160095470.db2.gz NSIZEKNKGXJLMS-MNOVXSKESA-N -1 1 325.390 2.442 20 5 EEBDMM 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ZINC001609600138 1352030906 /nfs/dbraw/zinc/03/09/06/1352030906.db2.gz SCZFEPZVBBPATI-LBPRGKRZSA-N -1 1 346.391 2.376 20 5 EEBDMM O=[N+]([O-])c1c(NCC2(CCO)CCCC2)cccc1-c1nnn[n-]1 ZINC001609600271 1352031093 /nfs/dbraw/zinc/03/10/93/1352031093.db2.gz ZVFOMJRVTZNATI-UHFFFAOYSA-N -1 1 332.364 2.130 20 5 EEBDMM O=[N+]([O-])c1c(NCC2(CCO)CCCC2)cccc1-c1nn[n-]n1 ZINC001609600271 1352031095 /nfs/dbraw/zinc/03/10/95/1352031095.db2.gz ZVFOMJRVTZNATI-UHFFFAOYSA-N -1 1 332.364 2.130 20 5 EEBDMM C[C@H]1CCSCCN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001609865881 1352106389 /nfs/dbraw/zinc/10/63/89/1352106389.db2.gz RDBJPIIXHFXTCL-NSHDSACASA-N -1 1 340.401 2.386 20 5 EEBDMM Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610478662 1352229425 /nfs/dbraw/zinc/22/94/25/1352229425.db2.gz TUVINZGSFAESIM-AWEZNQCLSA-N -1 1 345.359 2.030 20 5 EEBDMM C[C@H](CCO)C1(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCC1 ZINC001589833890 1349052374 /nfs/dbraw/zinc/05/23/74/1349052374.db2.gz WGUGZIDHVSTFQH-LLVKDONJSA-N -1 1 346.391 2.376 20 5 EEBDMM CC[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001590472572 1349345650 /nfs/dbraw/zinc/34/56/50/1349345650.db2.gz UJLPSJQSUSWKMA-IUCAKERBSA-N -1 1 338.393 2.454 20 5 EEBDMM CC[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001590472572 1349345656 /nfs/dbraw/zinc/34/56/56/1349345656.db2.gz UJLPSJQSUSWKMA-IUCAKERBSA-N -1 1 338.393 2.454 20 5 EEBDMM Cc1cc(N[C@H](C)c2csnn2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592034758 1349586160 /nfs/dbraw/zinc/58/61/60/1349586160.db2.gz MABFSUPCEWUYNX-SSDOTTSWSA-N -1 1 332.349 2.108 20 5 EEBDMM Cc1cc(N[C@H](C)c2csnn2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592034758 1349586162 /nfs/dbraw/zinc/58/61/62/1349586162.db2.gz MABFSUPCEWUYNX-SSDOTTSWSA-N -1 1 332.349 2.108 20 5 EEBDMM O=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nn[n-]n2)s1 ZINC001593415498 1349798999 /nfs/dbraw/zinc/79/89/99/1349798999.db2.gz KWYLBEPUHMAIML-UHFFFAOYSA-N -1 1 331.313 2.228 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCc3ccc(F)cc3C2)cc1-c1nnn[n-]1 ZINC001593478768 1349812037 /nfs/dbraw/zinc/81/20/37/1349812037.db2.gz MAHXPLNCNCNIPN-UHFFFAOYSA-N -1 1 340.318 2.477 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCc3ccc(F)cc3C2)cc1-c1nn[n-]n1 ZINC001593478768 1349812039 /nfs/dbraw/zinc/81/20/39/1349812039.db2.gz MAHXPLNCNCNIPN-UHFFFAOYSA-N -1 1 340.318 2.477 20 5 EEBDMM CO[C@@](C)([C@H](C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C1CC1 ZINC001604997374 1351048993 /nfs/dbraw/zinc/04/89/93/1351048993.db2.gz CTSDODIKCMPOIJ-CPFSXVBKSA-N -1 1 338.393 2.452 20 5 EEBDMM CO[C@@](C)([C@H](C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C1CC1 ZINC001604997374 1351048994 /nfs/dbraw/zinc/04/89/94/1351048994.db2.gz CTSDODIKCMPOIJ-CPFSXVBKSA-N -1 1 338.393 2.452 20 5 EEBDMM O=[N+]([O-])c1c(NCC2(CO)CC3(CCC3)C2)cccc1-c1nnn[n-]1 ZINC001607077820 1351407696 /nfs/dbraw/zinc/40/76/96/1351407696.db2.gz GDVIVDJVBCWSCS-UHFFFAOYSA-N -1 1 344.375 2.130 20 5 EEBDMM O=[N+]([O-])c1c(NCC2(CO)CC3(CCC3)C2)cccc1-c1nn[n-]n1 ZINC001607077820 1351407700 /nfs/dbraw/zinc/40/77/00/1351407700.db2.gz GDVIVDJVBCWSCS-UHFFFAOYSA-N -1 1 344.375 2.130 20 5 EEBDMM O=[N+]([O-])c1cc(N[C@@H](CO)c2ccc(F)cc2)ccc1-c1nn[n-]n1 ZINC001607079770 1351408357 /nfs/dbraw/zinc/40/83/57/1351408357.db2.gz LHRSGLUILBGZJH-ZDUSSCGKSA-N -1 1 344.306 2.060 20 5 EEBDMM O=[N+]([O-])c1ccccc1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001607084881 1351411828 /nfs/dbraw/zinc/41/18/28/1351411828.db2.gz DKNDEFWWDKQXTE-UHFFFAOYSA-N -1 1 341.287 2.295 20 5 EEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccccn2)cc1Cl ZINC000798225002 1371573939 /nfs/dbraw/zinc/57/39/39/1371573939.db2.gz WSUTWTAQPNERTL-UHFFFAOYSA-N -1 1 345.739 2.261 20 5 EEBDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000055572229 776036082 /nfs/dbraw/zinc/03/60/82/776036082.db2.gz YIAQJYVEZQZZHV-UHFFFAOYSA-N -1 1 325.321 2.425 20 5 EEBDMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001611365065 971018243 /nfs/dbraw/zinc/01/82/43/971018243.db2.gz 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CCCc1ncc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])o1 ZINC000451959972 243327191 /nfs/dbraw/zinc/32/71/91/243327191.db2.gz OGDCBFYBHRLUBQ-UHFFFAOYSA-N -1 1 339.373 2.322 20 5 EEBDMM Cc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc2n1[C@H](C)CO ZINC000456717612 244337788 /nfs/dbraw/zinc/33/77/88/244337788.db2.gz PJAJSBVNJOIJTC-SECBINFHSA-N -1 1 343.343 2.387 20 5 EEBDMM CN(CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000119134256 292241858 /nfs/dbraw/zinc/24/18/58/292241858.db2.gz UOKIZHPHSQZVFA-UHFFFAOYSA-N -1 1 347.346 2.301 20 5 EEBDMM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000128415365 292341885 /nfs/dbraw/zinc/34/18/85/292341885.db2.gz IFTMPWNGGAJJKH-MWLCHTKSSA-N -1 1 334.781 2.094 20 5 EEBDMM Cc1cccc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)c1[N+](=O)[O-] ZINC000067079843 159007249 /nfs/dbraw/zinc/00/72/49/159007249.db2.gz ZODNHQIZDZSUKX-UHFFFAOYSA-N -1 1 347.400 2.465 20 5 EEBDMM Nc1ccc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000287920877 275006088 /nfs/dbraw/zinc/00/60/88/275006088.db2.gz WPQRIDANTVEOBO-UHFFFAOYSA-N -1 1 346.309 2.072 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@]2(C)CCCC[C@H]2C)c([N+](=O)[O-])n1 ZINC000416520070 313244757 /nfs/dbraw/zinc/24/47/57/313244757.db2.gz WIBAIDZSXAGCRA-ZWNOBZJWSA-N -1 1 330.410 2.058 20 5 EEBDMM C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000416609547 313272475 /nfs/dbraw/zinc/27/24/75/313272475.db2.gz VGMGNEVCARZGAY-QMMMGPOBSA-N -1 1 326.296 2.462 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000416627775 313278859 /nfs/dbraw/zinc/27/88/59/313278859.db2.gz FNWWQIVMWJLYJG-QWRGUYRKSA-N -1 1 344.437 2.304 20 5 EEBDMM O=C(Nc1nnc(Cc2ccccc2F)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000341883489 465272550 /nfs/dbraw/zinc/27/25/50/465272550.db2.gz JEDHVROQRMZVKB-UHFFFAOYSA-N -1 1 347.331 2.757 20 5 EEBDMM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cncc([O-])c1 ZINC000111588487 463680028 /nfs/dbraw/zinc/68/00/28/463680028.db2.gz KFYAPDUSWBVWKF-UHFFFAOYSA-N -1 1 325.284 2.338 20 5 EEBDMM CCCCO[C@@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1(C)C ZINC000193672263 463726039 /nfs/dbraw/zinc/72/60/39/463726039.db2.gz SHOKIHBAECYEFZ-QWHCGFSZSA-N -1 1 337.376 2.409 20 5 EEBDMM CCS[C@H]1CCCC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185807972 463882819 /nfs/dbraw/zinc/88/28/19/463882819.db2.gz VBLIONBDWVCIJP-JQWIXIFHSA-N -1 1 325.390 2.490 20 5 EEBDMM CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n[nH]1 ZINC000278039530 463942224 /nfs/dbraw/zinc/94/22/24/463942224.db2.gz ZEELIJFPYDYQOC-BDAKNGLRSA-N -1 1 333.348 2.423 20 5 EEBDMM C[N@H+](CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000356410602 465366418 /nfs/dbraw/zinc/36/64/18/465366418.db2.gz AGXIZFLODQOQQD-UHFFFAOYSA-N -1 1 329.356 2.162 20 5 EEBDMM NC(=O)CCSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000344607135 465715719 /nfs/dbraw/zinc/71/57/19/465715719.db2.gz QCYYXMPCCNLGGA-UHFFFAOYSA-N -1 1 334.357 2.143 20 5 EEBDMM Cc1cccc(OC[C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000302990120 466216550 /nfs/dbraw/zinc/21/65/50/466216550.db2.gz LCYZOFLZNLTYRX-NSHDSACASA-N -1 1 331.328 2.201 20 5 EEBDMM O=C(NCc1ccccc1OCC1CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303922209 466241882 /nfs/dbraw/zinc/24/18/82/466241882.db2.gz YRXNFLCRWIPEOU-UHFFFAOYSA-N -1 1 343.339 2.414 20 5 EEBDMM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000533203277 468181693 /nfs/dbraw/zinc/18/16/93/468181693.db2.gz UTYHEHNMTNPZKI-VXGBXAGGSA-N -1 1 335.360 2.109 20 5 EEBDMM COc1cc(CN2CCC(C)(C(=O)[O-])CC2)c([N+](=O)[O-])cc1OC ZINC000592423481 468694488 /nfs/dbraw/zinc/69/44/88/468694488.db2.gz MOYFXPRQEYKVCR-UHFFFAOYSA-N -1 1 338.360 2.299 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2C[C@@H]2C2CCCCC2)c([N+](=O)[O-])n1 ZINC000611108939 469163067 /nfs/dbraw/zinc/16/30/67/469163067.db2.gz YNEQHPGYXYMENU-NEPJUHHUSA-N -1 1 342.421 2.058 20 5 EEBDMM O=C(Nc1ccc(-c2nnc[nH]2)cc1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000619252851 469559731 /nfs/dbraw/zinc/55/97/31/469559731.db2.gz PORMCNAEGYMAIO-UHFFFAOYSA-N -1 1 343.274 2.477 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000186880920 534767583 /nfs/dbraw/zinc/76/75/83/534767583.db2.gz YQXJQYXCJXOXEO-AWEZNQCLSA-N -1 1 347.302 2.048 20 5 EEBDMM CC(C)n1cc2c(n1)[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CCC2 ZINC000765863485 577508397 /nfs/dbraw/zinc/50/83/97/577508397.db2.gz VHQUCRDLNLKPKO-CYBMUJFWSA-N -1 1 345.359 2.280 20 5 EEBDMM Cn1c(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)ccc1[N+](=O)[O-] ZINC000761052429 577674934 /nfs/dbraw/zinc/67/49/34/577674934.db2.gz CXWZZOJVZQCAPY-UHFFFAOYSA-N -1 1 344.279 2.102 20 5 EEBDMM CC[C@@H](O)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751450672 577752990 /nfs/dbraw/zinc/75/29/90/577752990.db2.gz NSDANCCYCZDKSY-SNVBAGLBSA-N -1 1 336.797 2.078 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)c(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000823640029 606801640 /nfs/dbraw/zinc/80/16/40/606801640.db2.gz PVNKNFREQRQMBG-UHFFFAOYSA-N -1 1 331.723 2.435 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)c(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000823640029 606801642 /nfs/dbraw/zinc/80/16/42/606801642.db2.gz PVNKNFREQRQMBG-UHFFFAOYSA-N -1 1 331.723 2.435 20 5 EEBDMM C[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])Cc2ccccc21 ZINC000820777202 607162546 /nfs/dbraw/zinc/16/25/46/607162546.db2.gz QFGKEURNWLFFMV-JTQLQIEISA-N -1 1 337.343 2.294 20 5 EEBDMM C[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])Cc2ccccc21 ZINC000820777202 607162548 /nfs/dbraw/zinc/16/25/48/607162548.db2.gz QFGKEURNWLFFMV-JTQLQIEISA-N -1 1 337.343 2.294 20 5 EEBDMM Cc1ccc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822237323 607163570 /nfs/dbraw/zinc/16/35/70/607163570.db2.gz OWZAJCMRCOODSV-UHFFFAOYSA-N -1 1 325.332 2.115 20 5 EEBDMM Cc1ccc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000822237323 607163572 /nfs/dbraw/zinc/16/35/72/607163572.db2.gz OWZAJCMRCOODSV-UHFFFAOYSA-N -1 1 325.332 2.115 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCOC1CCCCC1 ZINC000823625195 607165515 /nfs/dbraw/zinc/16/55/15/607165515.db2.gz SRJQRDQTGRTAGV-UHFFFAOYSA-N -1 1 347.379 2.321 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCOC1CCCCC1 ZINC000823625195 607165517 /nfs/dbraw/zinc/16/55/17/607165517.db2.gz SRJQRDQTGRTAGV-UHFFFAOYSA-N -1 1 347.379 2.321 20 5 EEBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cnccc2C(F)(F)F)no1 ZINC001212893069 1214377769 /nfs/dbraw/zinc/37/77/69/1214377769.db2.gz LCWVIPGGNZJPBD-UHFFFAOYSA-N -1 1 326.194 2.449 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CSC[C@H]2C)cc1F ZINC000867260601 1285014502 /nfs/dbraw/zinc/01/45/02/1285014502.db2.gz APDHPPUGWNEAIH-PSASIEDQSA-N -1 1 334.394 2.072 20 5 EEBDMM COc1c(O)ccc2c(=O)c3c(O[C@H]4C[C@@H](O)C4)cc([O-])cc3oc21 ZINC001218424397 1297659212 /nfs/dbraw/zinc/65/92/12/1297659212.db2.gz VETGLFPMWGVYEI-WAAGHKOSSA-N -1 1 344.319 2.268 20 5 EEBDMM O=C1OCC[C@@H]1Oc1cc2c(=O)c3c(O)cccc3oc2cc1[O-] ZINC001227306365 1301775932 /nfs/dbraw/zinc/77/59/32/1301775932.db2.gz JCALCXSPOGOPAG-LBPRGKRZSA-N -1 1 328.276 2.052 20 5 EEBDMM COC(=O)[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001228141783 1302122865 /nfs/dbraw/zinc/12/28/65/1302122865.db2.gz UZRZDNFDFATCEP-JTQLQIEISA-N -1 1 339.691 2.037 20 5 EEBDMM O=C1[N-]C(=O)[C@@H](Cc2ccc(O[C@H](C[N+](=O)[O-])C3CC3)cc2)S1 ZINC001229626588 1302899081 /nfs/dbraw/zinc/89/90/81/1302899081.db2.gz TWPVFPILJIRGKA-CHWSQXEVSA-N -1 1 336.369 2.015 20 5 EEBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC001231259292 1303707427 /nfs/dbraw/zinc/70/74/27/1303707427.db2.gz JEZVRMMOMOASOF-SNVBAGLBSA-N -1 1 339.348 2.392 20 5 EEBDMM COC(=O)c1nc(C)[n-]c(=O)c1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001234563956 1304971141 /nfs/dbraw/zinc/97/11/41/1304971141.db2.gz ATPLTJYSDPJERI-QMMMGPOBSA-N -1 1 333.300 2.325 20 5 EEBDMM COc1ccc(Nc2cc(S(C)(=O)=O)ccc2[O-])c([N+](=O)[O-])c1 ZINC001248478626 1310908814 /nfs/dbraw/zinc/90/88/14/1310908814.db2.gz WQGGTMHEUGQPQH-UHFFFAOYSA-N -1 1 338.341 2.456 20 5 EEBDMM O=C([N-]CCNc1ncc([N+](=O)[O-])c2ccccc21)C(F)(F)F 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SFOYYJBPRFGYEF-UHFFFAOYSA-N -1 1 341.331 2.254 20 5 EEBDMM O=[N+]([O-])c1cccc(CNc2nc(Cl)c(-c3nnn[n-]3)s2)c1 ZINC001609602799 1352031779 /nfs/dbraw/zinc/03/17/79/1352031779.db2.gz IRRJINRZLRPRGX-UHFFFAOYSA-N -1 1 337.752 2.497 20 5 EEBDMM O=[N+]([O-])c1cccc(CNc2nc(Cl)c(-c3nn[n-]n3)s2)c1 ZINC001609602799 1352031784 /nfs/dbraw/zinc/03/17/84/1352031784.db2.gz IRRJINRZLRPRGX-UHFFFAOYSA-N -1 1 337.752 2.497 20 5 EEBDMM Cc1cc(S(=O)(=O)[N-]CCCC(F)F)c(F)cc1[N+](=O)[O-] ZINC001334310990 1336237179 /nfs/dbraw/zinc/23/71/79/1336237179.db2.gz YRIMLMWWRURXSQ-UHFFFAOYSA-N -1 1 326.296 2.366 20 5 EEBDMM CC(C)(C)C[C@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001589119478 1348962205 /nfs/dbraw/zinc/96/22/05/1348962205.db2.gz UIFQSSRDNOZABH-SNVBAGLBSA-N -1 1 331.380 2.432 20 5 EEBDMM CC(C)(C)C[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001589119478 1348962208 /nfs/dbraw/zinc/96/22/08/1348962208.db2.gz UIFQSSRDNOZABH-SNVBAGLBSA-N -1 1 331.380 2.432 20 5 EEBDMM CC(C)O[C@H]1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1(C)C ZINC001589739219 1349025970 /nfs/dbraw/zinc/02/59/70/1349025970.db2.gz GSOVYAQORBNYBG-QWRGUYRKSA-N -1 1 347.379 2.174 20 5 EEBDMM CC(C)O[C@H]1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1(C)C ZINC001589739219 1349025975 /nfs/dbraw/zinc/02/59/75/1349025975.db2.gz GSOVYAQORBNYBG-QWRGUYRKSA-N -1 1 347.379 2.174 20 5 EEBDMM Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001592199237 1349605391 /nfs/dbraw/zinc/60/53/91/1349605391.db2.gz MGSVJRYTZHPFTQ-UHFFFAOYSA-N -1 1 344.356 2.075 20 5 EEBDMM Nc1cc(N2CCCC3(CC3)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759842 1349713714 /nfs/dbraw/zinc/71/37/14/1349713714.db2.gz IPELRJUPNGKYFD-UHFFFAOYSA-N -1 1 329.364 2.128 20 5 EEBDMM Nc1cc(N2CCCC3(CC3)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759842 1349713718 /nfs/dbraw/zinc/71/37/18/1349713718.db2.gz IPELRJUPNGKYFD-UHFFFAOYSA-N -1 1 329.364 2.128 20 5 EEBDMM O=[N+]([O-])c1cc(Cl)ccc1CCNc1cccnc1-c1nnn[n-]1 ZINC001593473171 1349806663 /nfs/dbraw/zinc/80/66/63/1349806663.db2.gz OKHHYEBWRVVRFA-UHFFFAOYSA-N -1 1 345.750 2.478 20 5 EEBDMM O=[N+]([O-])c1cc(Cl)ccc1CCNc1cccnc1-c1nn[n-]n1 ZINC001593473171 1349806668 /nfs/dbraw/zinc/80/66/68/1349806668.db2.gz OKHHYEBWRVVRFA-UHFFFAOYSA-N -1 1 345.750 2.478 20 5 EEBDMM O=[N+]([O-])c1ccc(Oc2cc(-c3nnn[n-]3)nc(C3CC3)n2)cc1 ZINC001593482776 1349814352 /nfs/dbraw/zinc/81/43/52/1349814352.db2.gz WUZOMEDRZCNFFD-UHFFFAOYSA-N -1 1 325.288 2.235 20 5 EEBDMM O=[N+]([O-])c1ccc(Oc2cc(-c3nn[n-]n3)nc(C3CC3)n2)cc1 ZINC001593482776 1349814357 /nfs/dbraw/zinc/81/43/57/1349814357.db2.gz WUZOMEDRZCNFFD-UHFFFAOYSA-N -1 1 325.288 2.235 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC2(C1)CC(F)(F)C2 ZINC001593488121 1349815961 /nfs/dbraw/zinc/81/59/61/1349815961.db2.gz PFPNTPASOWGIFS-UHFFFAOYSA-N -1 1 328.304 2.072 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC2(C1)CC(F)(F)C2 ZINC001593488121 1349815964 /nfs/dbraw/zinc/81/59/64/1349815964.db2.gz PFPNTPASOWGIFS-UHFFFAOYSA-N -1 1 328.304 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ZINC001607079917 1351409246 /nfs/dbraw/zinc/40/92/46/1351409246.db2.gz OTIPTSKIDWMITA-UHFFFAOYSA-N -1 1 340.271 2.089 20 5 EEBDMM O=[N+]([O-])c1cc(OCc2nc(-c3nn[n-]n3)cs2)c(F)cc1F ZINC001607079917 1351409250 /nfs/dbraw/zinc/40/92/50/1351409250.db2.gz OTIPTSKIDWMITA-UHFFFAOYSA-N -1 1 340.271 2.089 20 5 EEBDMM Cc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1C(=O)[O-] ZINC001607863244 1351573806 /nfs/dbraw/zinc/57/38/06/1351573806.db2.gz SFUIRKJPXPBJJW-UHFFFAOYSA-N -1 1 336.325 2.402 20 5 EEBDMM Cc1ccc(C)c(C(=O)[C@@H](C)n2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)c1 ZINC001592137311 1404006114 /nfs/dbraw/zinc/00/61/14/1404006114.db2.gz UUSADYGDLUOXMK-SNVBAGLBSA-N -1 1 341.331 2.032 20 5 EEBDMM Cc1ncc(CCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)s1 ZINC001592410959 1404028722 /nfs/dbraw/zinc/02/87/22/1404028722.db2.gz BSWRJXHOUBLSOH-UHFFFAOYSA-N -1 1 331.361 2.194 20 5 EEBDMM Cc1ncc(CCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)s1 ZINC001592410959 1404028734 /nfs/dbraw/zinc/02/87/34/1404028734.db2.gz BSWRJXHOUBLSOH-UHFFFAOYSA-N -1 1 331.361 2.194 20 5 EEBDMM Cc1oc(CN(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000846261677 790107792 /nfs/dbraw/zinc/10/77/92/790107792.db2.gz RBUGIOADWYNUAO-OAHLLOKOSA-N -1 1 334.328 2.360 20 5 EEBDMM O=C(NCCCNc1ccc([N+](=O)[O-])cc1F)c1ncccc1[O-] ZINC001094375526 796183967 /nfs/dbraw/zinc/18/39/67/796183967.db2.gz CFZAGJOQLHOQBO-UHFFFAOYSA-N -1 1 334.307 2.067 20 5 EEBDMM CC(C)n1nccc1CN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001592169705 977067433 /nfs/dbraw/zinc/06/74/33/977067433.db2.gz PZRVXJYNSODECM-MRXNPFEDSA-N -1 1 332.360 2.462 20 5 EEBDMM C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cc(C(=O)[O-])co1 ZINC001592268747 977524715 /nfs/dbraw/zinc/52/47/15/977524715.db2.gz JGAOEFMTECIURW-JTQLQIEISA-N -1 1 347.327 2.393 20 5 EEBDMM O=C([O-])[C@H]1CSCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000901892519 980606514 /nfs/dbraw/zinc/60/65/14/980606514.db2.gz YRXQGRBVQUHXOO-SNVBAGLBSA-N -1 1 330.793 2.498 20 5 EEBDMM CN(C)Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC001598248912 991026382 /nfs/dbraw/zinc/02/63/82/991026382.db2.gz PLYCFRVCWIKVMY-UHFFFAOYSA-N -1 1 344.327 2.002 20 5 EEBDMM C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ncc(C(=O)[O-])s1 ZINC001593246487 994453078 /nfs/dbraw/zinc/45/30/78/994453078.db2.gz MCAIMZFLJOIETO-LDYMZIIASA-N -1 1 337.357 2.134 20 5 EEBDMM COc1cccc(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001599672963 994846428 /nfs/dbraw/zinc/84/64/28/994846428.db2.gz CDLCAYHJAAEUKR-UHFFFAOYSA-N -1 1 346.339 2.357 20 5 EEBDMM COc1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cccc1C(=O)[O-] ZINC001599343218 997956726 /nfs/dbraw/zinc/95/67/26/997956726.db2.gz WCYFXLIAHWTQNA-UHFFFAOYSA-N -1 1 332.268 2.260 20 5 EEBDMM COc1ccc(CN(CCC(F)(F)F)CC(=O)[O-])cc1[N+](=O)[O-] ZINC001599558976 998152273 /nfs/dbraw/zinc/15/22/73/998152273.db2.gz SZLORVRSNQOXIY-UHFFFAOYSA-N -1 1 336.266 2.442 20 5 EEBDMM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000271270167 256227450 /nfs/dbraw/zinc/22/74/50/256227450.db2.gz NGMDQMVRAMZDTI-ZJUUUORDSA-N -1 1 348.808 2.342 20 5 EEBDMM CCOc1cccc([C@H]2C[C@H]2NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000345021983 161264747 /nfs/dbraw/zinc/26/47/47/161264747.db2.gz DJYKBLFFRKNCLQ-UKRRQHHQSA-N -1 1 343.339 2.380 20 5 EEBDMM CCCCOc1ncccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274968950 269080506 /nfs/dbraw/zinc/08/05/06/269080506.db2.gz MXIBRFJFANMXLW-UHFFFAOYSA-N -1 1 346.343 2.199 20 5 EEBDMM CCC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C1CCC1 ZINC000416550749 313254685 /nfs/dbraw/zinc/25/46/85/313254685.db2.gz AMDRJPGHDHLFPH-LLVKDONJSA-N -1 1 330.410 2.058 20 5 EEBDMM CCc1nc(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000565242212 319165676 /nfs/dbraw/zinc/16/56/76/319165676.db2.gz MJLUNSAMARNQNL-UHFFFAOYSA-N -1 1 348.384 2.352 20 5 EEBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000567241591 319362822 /nfs/dbraw/zinc/36/28/22/319362822.db2.gz AHLWZDAXCRIUNZ-RYUDHWBXSA-N -1 1 345.359 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ZINC001603702904 1350745498 /nfs/dbraw/zinc/74/54/98/1350745498.db2.gz KOPDZWZFMTZMPD-SECBINFHSA-N -1 1 340.299 2.088 20 5 EEBDMM C[C@@]1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC001603807147 1350772922 /nfs/dbraw/zinc/77/29/22/1350772922.db2.gz NJSFLJAIGOLTBN-ZBFHGGJFSA-N -1 1 344.375 2.392 20 5 EEBDMM C[C@@]1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC001603807147 1350772924 /nfs/dbraw/zinc/77/29/24/1350772924.db2.gz NJSFLJAIGOLTBN-ZBFHGGJFSA-N -1 1 344.375 2.392 20 5 EEBDMM C/C=C\C[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001603965186 1350815959 /nfs/dbraw/zinc/81/59/59/1350815959.db2.gz USDYXILTAJVKGF-OTDNITJGSA-N -1 1 329.364 2.353 20 5 EEBDMM C/C=C\C[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001603965186 1350815961 /nfs/dbraw/zinc/81/59/61/1350815961.db2.gz USDYXILTAJVKGF-OTDNITJGSA-N -1 1 329.364 2.353 20 5 EEBDMM COc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC001605303289 1351130833 /nfs/dbraw/zinc/13/08/33/1351130833.db2.gz NBBLKKBVQDLIGO-UHFFFAOYSA-N -1 1 347.312 2.064 20 5 EEBDMM COc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC001605303289 1351130835 /nfs/dbraw/zinc/13/08/35/1351130835.db2.gz NBBLKKBVQDLIGO-UHFFFAOYSA-N -1 1 347.312 2.064 20 5 EEBDMM Cc1cc(NCCCC2(O)CCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605731415 1351218904 /nfs/dbraw/zinc/21/89/04/1351218904.db2.gz WYSYRRGOIHNRNG-UHFFFAOYSA-N -1 1 332.364 2.190 20 5 EEBDMM Cc1cc(NCCCC2(O)CCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605731415 1351218905 /nfs/dbraw/zinc/21/89/05/1351218905.db2.gz WYSYRRGOIHNRNG-UHFFFAOYSA-N -1 1 332.364 2.190 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC[C@@H]1CCC2(CCC2)O1 ZINC001607076826 1351407064 /nfs/dbraw/zinc/40/70/64/1351407064.db2.gz FPVKKLQCPJWDRW-JTQLQIEISA-N -1 1 345.363 2.074 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC[C@@H]1CCC2(CCC2)O1 ZINC001607076826 1351407066 /nfs/dbraw/zinc/40/70/66/1351407066.db2.gz FPVKKLQCPJWDRW-JTQLQIEISA-N -1 1 345.363 2.074 20 5 EEBDMM O=[N+]([O-])c1cc(N[C@H](CCO)C2CCCC2)ccc1-c1nn[n-]n1 ZINC001607079910 1351408654 /nfs/dbraw/zinc/40/86/54/1351408654.db2.gz OOWRIQUYHQQLFF-CYBMUJFWSA-N -1 1 332.364 2.128 20 5 EEBDMM O=[N+]([O-])c1ccc(NCc2cccc3c2OCC3)cc1-c1nnn[n-]1 ZINC001607081545 1351410069 /nfs/dbraw/zinc/41/00/69/1351410069.db2.gz CXWNOMNHFVFSMF-UHFFFAOYSA-N -1 1 338.327 2.322 20 5 EEBDMM O=[N+]([O-])c1ccc(NCc2cccc3c2OCC3)cc1-c1nn[n-]n1 ZINC001607081545 1351410072 /nfs/dbraw/zinc/41/00/72/1351410072.db2.gz CXWNOMNHFVFSMF-UHFFFAOYSA-N -1 1 338.327 2.322 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC(Oc2ccccc2)C1 ZINC001607085470 1351411845 /nfs/dbraw/zinc/41/18/45/1351411845.db2.gz DLVJWGOEFUTDPG-UHFFFAOYSA-N -1 1 344.356 2.104 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC(Oc2ccccc2)C1 ZINC001607085470 1351411847 /nfs/dbraw/zinc/41/18/47/1351411847.db2.gz DLVJWGOEFUTDPG-UHFFFAOYSA-N -1 1 344.356 2.104 20 5 EEBDMM Cc1c(NC(=O)[C@@H](C)N2CCC[C@@](C)(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001607537993 1351512458 /nfs/dbraw/zinc/51/24/58/1351512458.db2.gz FJTHFOIONOHJEU-SJKOYZFVSA-N -1 1 349.387 2.417 20 5 EEBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000120546929 1404919403 /nfs/dbraw/zinc/91/94/03/1404919403.db2.gz RNYGOMIZBGYHCI-ZZXKWVIFSA-N -1 1 327.222 2.384 20 5 EEBDMM Cc1ccc(NC/C=C\CNC(=O)c2ncccc2[O-])c([N+](=O)[O-])c1 ZINC001107140049 786018832 /nfs/dbraw/zinc/01/88/32/786018832.db2.gz WBBBQHMOQZJMFH-IHWYPQMZSA-N -1 1 342.355 2.402 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCc1cccc(F)c1 ZINC000823625147 787839003 /nfs/dbraw/zinc/83/90/03/787839003.db2.gz QTNQKPWNUZWSLB-UHFFFAOYSA-N -1 1 343.322 2.354 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCc1cccc(F)c1 ZINC000823625147 787839016 /nfs/dbraw/zinc/83/90/16/787839016.db2.gz QTNQKPWNUZWSLB-UHFFFAOYSA-N -1 1 343.322 2.354 20 5 EEBDMM COc1cc(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1F ZINC001594056690 958041431 /nfs/dbraw/zinc/04/14/31/958041431.db2.gz UWBROJWJWRLJSK-MWLCHTKSSA-N -1 1 326.324 2.285 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCC(C)(C)C2)c([N+](=O)[O-])n1 ZINC000442761358 242109300 /nfs/dbraw/zinc/10/93/00/242109300.db2.gz PQVWZQBRZGRBQF-JTQLQIEISA-N -1 1 330.410 2.058 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCOC[C@@H]1c1ccc(F)cc1 ZINC000456493010 296283573 /nfs/dbraw/zinc/28/35/73/296283573.db2.gz ZAFNVWAOGKCXTJ-CQSZACIVSA-N -1 1 347.302 2.048 20 5 EEBDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000103151623 159272786 /nfs/dbraw/zinc/27/27/86/159272786.db2.gz WPECLKHYFPITHW-UHFFFAOYSA-N -1 1 337.195 2.434 20 5 EEBDMM Cc1cnc(C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)s1 ZINC000277863231 269192203 /nfs/dbraw/zinc/19/22/03/269192203.db2.gz CZEIFZSKTFWFND-UHFFFAOYSA-N -1 1 348.384 2.480 20 5 EEBDMM Cc1ccnc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000290557830 275217990 /nfs/dbraw/zinc/21/79/90/275217990.db2.gz ABMVSQQVEREIMS-JTQLQIEISA-N -1 1 346.309 2.193 20 5 EEBDMM C[C@@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000377127491 279063012 /nfs/dbraw/zinc/06/30/12/279063012.db2.gz HIRPPYKGKOXVSM-CPFSXVBKSA-N -1 1 333.275 2.087 20 5 EEBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c[nH]nc21 ZINC000158910068 311334377 /nfs/dbraw/zinc/33/43/77/311334377.db2.gz PVAUZNAJNJDWMN-UHFFFAOYSA-N -1 1 348.340 2.286 20 5 EEBDMM CS(=O)(=O)[N-]c1ccc(Oc2ncc([N+](=O)[O-])cc2Cl)cn1 ZINC000439128732 315069454 /nfs/dbraw/zinc/06/94/54/315069454.db2.gz FWFMYIVKVXVHKS-UHFFFAOYSA-N -1 1 344.736 2.202 20 5 EEBDMM CC[C@@H](O)[C@H](CC)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451978406 315471895 /nfs/dbraw/zinc/47/18/95/315471895.db2.gz PIDHSURLIOCKTP-GXSJLCMTSA-N -1 1 336.797 2.076 20 5 EEBDMM COc1cccc([C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000525699914 317069003 /nfs/dbraw/zinc/06/90/03/317069003.db2.gz GGDUFMOFGGPENQ-JTQLQIEISA-N -1 1 337.357 2.038 20 5 EEBDMM CCCC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C1CCC1 ZINC000339043707 465047263 /nfs/dbraw/zinc/04/72/63/465047263.db2.gz ZJGFHILNXQJFFL-GFCCVEGCSA-N -1 1 344.437 2.448 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCC1CCOCC1 ZINC000358391279 465096477 /nfs/dbraw/zinc/09/64/77/465096477.db2.gz XZWNOIJOYIWXDO-UHFFFAOYSA-N -1 1 348.808 2.343 20 5 EEBDMM CCc1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000008210551 462773286 /nfs/dbraw/zinc/77/32/86/462773286.db2.gz DUGRJPUIIDHUOQ-UHFFFAOYSA-N -1 1 336.329 2.032 20 5 EEBDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000135041668 463109944 /nfs/dbraw/zinc/10/99/44/463109944.db2.gz KGJPSHCGNNJCCG-UHFFFAOYSA-N -1 1 330.753 2.389 20 5 EEBDMM Cc1ccc(CCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(C)c1 ZINC000028813831 463234145 /nfs/dbraw/zinc/23/41/45/463234145.db2.gz AGGCGYZKCZLNCT-UHFFFAOYSA-N -1 1 329.356 2.263 20 5 EEBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000080801341 463358226 /nfs/dbraw/zinc/35/82/26/463358226.db2.gz VBVNCVQKORNUTA-VXGBXAGGSA-N -1 1 335.385 2.460 20 5 EEBDMM CCS[C@H]1CCCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000112118085 463690947 /nfs/dbraw/zinc/69/09/47/463690947.db2.gz HDUBKZNURXCFAX-NSHDSACASA-N -1 1 325.390 2.443 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1CCO ZINC000188910941 464392640 /nfs/dbraw/zinc/39/26/40/464392640.db2.gz GIFNRKWGUPAKJT-MWLCHTKSSA-N -1 1 348.808 2.078 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1CCO ZINC000188911527 464394493 /nfs/dbraw/zinc/39/44/93/464394493.db2.gz ZVTXHIJZJHEFGC-MWLCHTKSSA-N -1 1 348.808 2.078 20 5 EEBDMM O=C(NCc1cc(-c2ccccc2)no1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361915323 466402581 /nfs/dbraw/zinc/40/25/81/466402581.db2.gz IRFUETCHQBCOHN-UHFFFAOYSA-N -1 1 340.295 2.280 20 5 EEBDMM O=C(Nc1cccc(N2CCCNC2=O)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000361957368 466436825 /nfs/dbraw/zinc/43/68/25/466436825.db2.gz AJVJGQBPNVRXEG-UHFFFAOYSA-N -1 1 329.316 2.095 20 5 EEBDMM CCN(CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000436799022 467554918 /nfs/dbraw/zinc/55/49/18/467554918.db2.gz OEXURVQWHOPNJV-UHFFFAOYSA-N -1 1 349.309 2.305 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000598305813 468826406 /nfs/dbraw/zinc/82/64/06/468826406.db2.gz CINZSNCQMPAFLL-SMDDNHRTSA-N -1 1 335.360 2.117 20 5 EEBDMM CCC(CC)[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000183611625 528872348 /nfs/dbraw/zinc/87/23/48/528872348.db2.gz FPFBDJCHFBNUSG-BXUZGUMPSA-N -1 1 337.376 2.409 20 5 EEBDMM CC[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000187176809 529359335 /nfs/dbraw/zinc/35/93/35/529359335.db2.gz XUCKIEIHDUQRNV-GFCCVEGCSA-N -1 1 349.318 2.422 20 5 EEBDMM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@H](C)C(=O)[O-] ZINC000736570736 578212199 /nfs/dbraw/zinc/21/21/99/578212199.db2.gz GEXMQPWYVMNUFZ-DTWKUNHWSA-N -1 1 343.767 2.228 20 5 EEBDMM O=C([O-])C[C@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000821515078 598152034 /nfs/dbraw/zinc/15/20/34/598152034.db2.gz DAALDLXXESJOQS-LLVKDONJSA-N -1 1 336.344 2.053 20 5 EEBDMM COC[C@@](C)(CC(=O)[O-])NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833722512 604923865 /nfs/dbraw/zinc/92/38/65/604923865.db2.gz XOALJJZAIMEYHI-MRXNPFEDSA-N -1 1 349.343 2.219 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCOC2(CCCC2)C1 ZINC000823620481 607130807 /nfs/dbraw/zinc/13/08/07/607130807.db2.gz LLOFWPAUNVPNSE-JTQLQIEISA-N -1 1 345.363 2.074 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCOC2(CCCC2)C1 ZINC000823620481 607130809 /nfs/dbraw/zinc/13/08/09/607130809.db2.gz LLOFWPAUNVPNSE-JTQLQIEISA-N -1 1 345.363 2.074 20 5 EEBDMM C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000796107804 685564200 /nfs/dbraw/zinc/56/42/00/685564200.db2.gz NJRQDQXBNYHTJP-APPZFPTMSA-N -1 1 336.822 2.278 20 5 EEBDMM Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000026116482 687144152 /nfs/dbraw/zinc/14/41/52/687144152.db2.gz DPENBDDXYZMURZ-UHFFFAOYSA-N -1 1 342.307 2.017 20 5 EEBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000014256457 1225440670 /nfs/dbraw/zinc/44/06/70/1225440670.db2.gz RJZOLXYYNDMEMZ-UHFFFAOYSA-N -1 1 341.276 2.443 20 5 EEBDMM CCOC(=O)c1nn(-c2cc([O-])cc([N+](=O)[O-])c2)c2ccc(N)cc12 ZINC001201232482 1289364494 /nfs/dbraw/zinc/36/44/94/1289364494.db2.gz QHWSEPOAKPTGJD-UHFFFAOYSA-N -1 1 342.311 2.398 20 5 EEBDMM COC(=O)C(C)(C)n1cc([N-]c2nc3ccccn3c2[N+](=O)[O-])cn1 ZINC000853916823 1292527260 /nfs/dbraw/zinc/52/72/60/1292527260.db2.gz VTQIDSYVHKGHQT-UHFFFAOYSA-N -1 1 344.331 2.091 20 5 EEBDMM C[C@H](COc1ccccc1)OCCCOc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228140094 1302122306 /nfs/dbraw/zinc/12/23/06/1302122306.db2.gz FTRSITOZCYXRIY-GFCCVEGCSA-N -1 1 349.343 2.343 20 5 EEBDMM Cc1nc(OCc2cnc(F)c(OC(C)C)c2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229380033 1302754332 /nfs/dbraw/zinc/75/43/32/1302754332.db2.gz YEZMJQZZRXSCIW-UHFFFAOYSA-N -1 1 338.295 2.299 20 5 EEBDMM COC(=O)c1ncc2n1CCC[C@H]2Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229399409 1302763178 /nfs/dbraw/zinc/76/31/78/1302763178.db2.gz JUIRKFUHVUPQQF-GFCCVEGCSA-N -1 1 333.300 2.197 20 5 EEBDMM O=C(OCc1nnc(C2CC2)n1C1CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000783172362 1304204264 /nfs/dbraw/zinc/20/42/64/1304204264.db2.gz VKXGACGLLPJYBG-UHFFFAOYSA-N -1 1 344.327 2.461 20 5 EEBDMM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001590010532 1349105750 /nfs/dbraw/zinc/10/57/50/1349105750.db2.gz KQXGAPYOFJPREG-VIFPVBQESA-N -1 1 340.299 2.088 20 5 EEBDMM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001590010532 1349105756 /nfs/dbraw/zinc/10/57/56/1349105756.db2.gz KQXGAPYOFJPREG-VIFPVBQESA-N -1 1 340.299 2.088 20 5 EEBDMM O=C([O-])[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC001608557196 1351715201 /nfs/dbraw/zinc/71/52/01/1351715201.db2.gz LBLVSIXBNOJULL-SZEHBUNVSA-N -1 1 334.111 2.328 20 5 EEBDMM Cc1noc(C)c1C[C@H](C)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609462638 1351986421 /nfs/dbraw/zinc/98/64/21/1351986421.db2.gz MCDBAUOLTNAAMF-QMMMGPOBSA-N -1 1 343.347 2.423 20 5 EEBDMM Cc1noc(C)c1C[C@H](C)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609462638 1351986424 /nfs/dbraw/zinc/98/64/24/1351986424.db2.gz MCDBAUOLTNAAMF-QMMMGPOBSA-N -1 1 343.347 2.423 20 5 EEBDMM CC(C)(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C[C@H]1O ZINC001589104146 1348959724 /nfs/dbraw/zinc/95/97/24/1348959724.db2.gz AOFSNBVNZWHDTI-TZMCWYRMSA-N -1 1 346.391 2.008 20 5 EEBDMM CC1(C)[C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)[C@H]2CCO[C@@H]21 ZINC001590076367 1349140375 /nfs/dbraw/zinc/14/03/75/1349140375.db2.gz DNBVQNCIBIQEMZ-WQAKAFBOSA-N -1 1 330.348 2.000 20 5 EEBDMM CC1(C)[C@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)[C@H]2CCO[C@@H]21 ZINC001590076367 1349140381 /nfs/dbraw/zinc/14/03/81/1349140381.db2.gz DNBVQNCIBIQEMZ-WQAKAFBOSA-N -1 1 330.348 2.000 20 5 EEBDMM O=[N+]([O-])c1cc(NC[C@@H]2CC2(Cl)Cl)ccc1-c1nn[n-]n1 ZINC001593474491 1349808514 /nfs/dbraw/zinc/80/85/14/1349808514.db2.gz QAVNBEIVFOSXOZ-LURJTMIESA-N -1 1 329.147 2.381 20 5 EEBDMM O=[N+]([O-])c1cccc(CNc2nc(-c3nn[n-]n3)c(Cl)s2)c1 ZINC001593484292 1349813830 /nfs/dbraw/zinc/81/38/30/1349813830.db2.gz UBFUAQXSSFNMLW-UHFFFAOYSA-N -1 1 337.752 2.497 20 5 EEBDMM Cn1cc(CN[C@H](C(=O)[O-])c2cccc3ccccc32)c([N+](=O)[O-])n1 ZINC001600953049 1350175796 /nfs/dbraw/zinc/17/57/96/1350175796.db2.gz RENYJVXFYLHJQX-HNNXBMFYSA-N -1 1 340.339 2.397 20 5 EEBDMM CC(C)CC[C@@](C)(O)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603278480 1350678108 /nfs/dbraw/zinc/67/81/08/1350678108.db2.gz PITJFJGJQIYJOD-OAHLLOKOSA-N -1 1 334.380 2.374 20 5 EEBDMM CC1(C)CC[C@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)OC1 ZINC001603771792 1350763103 /nfs/dbraw/zinc/76/31/03/1350763103.db2.gz GWHNJZIXAYXZKR-LLVKDONJSA-N -1 1 332.364 2.392 20 5 EEBDMM CC1(C)CC[C@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)OC1 ZINC001603771792 1350763108 /nfs/dbraw/zinc/76/31/08/1350763108.db2.gz GWHNJZIXAYXZKR-LLVKDONJSA-N -1 1 332.364 2.392 20 5 EEBDMM C[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c2nccn21 ZINC001603861223 1350785626 /nfs/dbraw/zinc/78/56/26/1350785626.db2.gz LASQSYUNTGREIH-NKWVEPMBSA-N -1 1 332.349 2.151 20 5 EEBDMM C[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c2nccn21 ZINC001603861223 1350785630 /nfs/dbraw/zinc/78/56/30/1350785630.db2.gz LASQSYUNTGREIH-NKWVEPMBSA-N -1 1 332.349 2.151 20 5 EEBDMM COC1(C)CCN(c2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001605015233 1351055947 /nfs/dbraw/zinc/05/59/47/1351055947.db2.gz IRYWSNUHLZGRBM-UHFFFAOYSA-N -1 1 332.364 2.089 20 5 EEBDMM COC1(C)CCN(c2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001605015233 1351055951 /nfs/dbraw/zinc/05/59/51/1351055951.db2.gz IRYWSNUHLZGRBM-UHFFFAOYSA-N -1 1 332.364 2.089 20 5 EEBDMM Cc1cc(NC[C@@H](C)Cn2cccn2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605726284 1351218925 /nfs/dbraw/zinc/21/89/25/1351218925.db2.gz HQGWELVEMSSODZ-SNVBAGLBSA-N -1 1 342.363 2.028 20 5 EEBDMM Cc1cc(NC[C@@H](C)Cn2cccn2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605726284 1351218929 /nfs/dbraw/zinc/21/89/29/1351218929.db2.gz HQGWELVEMSSODZ-SNVBAGLBSA-N -1 1 342.363 2.028 20 5 EEBDMM O=[N+]([O-])c1c(NCC[C@H]2CCCC[C@H]2O)cccc1-c1nnn[n-]1 ZINC001607078286 1351408030 /nfs/dbraw/zinc/40/80/30/1351408030.db2.gz SUNJZUVBWHASPE-ZWNOBZJWSA-N -1 1 332.364 2.128 20 5 EEBDMM O=[N+]([O-])c1c(NCC[C@H]2CCCC[C@H]2O)cccc1-c1nn[n-]n1 ZINC001607078286 1351408032 /nfs/dbraw/zinc/40/80/32/1351408032.db2.gz SUNJZUVBWHASPE-ZWNOBZJWSA-N -1 1 332.364 2.128 20 5 EEBDMM O=[N+]([O-])c1cccc(Oc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC001607084728 1351411781 /nfs/dbraw/zinc/41/17/81/1351411781.db2.gz VSZKMWCAOXQRAB-UHFFFAOYSA-N -1 1 328.244 2.475 20 5 EEBDMM O=[N+]([O-])c1cccc(Oc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC001607084728 1351411782 /nfs/dbraw/zinc/41/17/82/1351411782.db2.gz VSZKMWCAOXQRAB-UHFFFAOYSA-N -1 1 328.244 2.475 20 5 EEBDMM Cc1ccc([C@H](C)N[C@H]2CCCN(CCC(=O)[O-])C2=O)cc1[N+](=O)[O-] ZINC001607751878 1351552084 /nfs/dbraw/zinc/55/20/84/1351552084.db2.gz LOQKXVHDHOMWQM-JSGCOSHPSA-N -1 1 349.387 2.020 20 5 EEBDMM Nc1ccc(S(=O)(=O)[N-]c2cc(O)cc([N+](=O)[O-])c2)cc1Cl ZINC001201223146 1368795143 /nfs/dbraw/zinc/79/51/43/1368795143.db2.gz UZYMKDYSKZYJET-UHFFFAOYSA-N -1 1 343.748 2.337 20 5 EEBDMM Cc1ccc(C)c(OCCCn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)c1 ZINC001592140717 1404005644 /nfs/dbraw/zinc/00/56/44/1404005644.db2.gz XLMNFTKQVLNGEW-UHFFFAOYSA-N -1 1 343.347 2.057 20 5 EEBDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC001606170866 1404772711 /nfs/dbraw/zinc/77/27/11/1404772711.db2.gz QGRQTPDFRFBFBS-UHFFFAOYSA-N -1 1 329.272 2.033 20 5 EEBDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC001606170866 1404772713 /nfs/dbraw/zinc/77/27/13/1404772713.db2.gz QGRQTPDFRFBFBS-UHFFFAOYSA-N -1 1 329.272 2.033 20 5 EEBDMM O=[N+]([O-])c1ccc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)nc1 ZINC001167932805 780970087 /nfs/dbraw/zinc/97/00/87/780970087.db2.gz YIWDDFUVVMOURU-UHFFFAOYSA-N -1 1 335.256 2.075 20 5 EEBDMM Cn1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 ZINC000809824309 783422782 /nfs/dbraw/zinc/42/27/82/783422782.db2.gz NSQYWMBVMXSOOJ-UHFFFAOYSA-N -1 1 347.755 2.204 20 5 EEBDMM O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1 ZINC000823430758 787745435 /nfs/dbraw/zinc/74/54/35/787745435.db2.gz JDBLHVNFQFPGNA-UHFFFAOYSA-N -1 1 331.313 2.193 20 5 EEBDMM O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)s1 ZINC000823430758 787745445 /nfs/dbraw/zinc/74/54/45/787745445.db2.gz JDBLHVNFQFPGNA-UHFFFAOYSA-N -1 1 331.313 2.193 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCS1 ZINC000152262266 794733126 /nfs/dbraw/zinc/73/31/26/794733126.db2.gz MCDQMYALXFFLDD-VIFPVBQESA-N -1 1 336.822 2.422 20 5 EEBDMM CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)c1ncccc1[O-] ZINC001106727448 796297685 /nfs/dbraw/zinc/29/76/85/796297685.db2.gz QGXNIJZLINSUGZ-UHFFFAOYSA-N -1 1 330.344 2.270 20 5 EEBDMM Nc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001175906914 798284153 /nfs/dbraw/zinc/28/41/53/798284153.db2.gz MWHAVQYVPGTWAD-BQYQJAHWSA-N -1 1 337.332 2.456 20 5 EEBDMM Cn1[n-]cc2c(=NC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccnc1-2 ZINC000791162599 809087484 /nfs/dbraw/zinc/08/74/84/809087484.db2.gz YAEQDYDIUDTDJM-UHFFFAOYSA-N -1 1 331.719 2.156 20 5 EEBDMM COC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791418359 809238247 /nfs/dbraw/zinc/23/82/47/809238247.db2.gz NHBXKIGOTYSOCV-LURJTMIESA-N -1 1 343.188 2.215 20 5 EEBDMM C[C@@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C(=O)[O-] ZINC001589355253 954127567 /nfs/dbraw/zinc/12/75/67/954127567.db2.gz HSAKWKWGVRBPDT-PWSUYJOCSA-N -1 1 346.343 2.187 20 5 EEBDMM COc1cc(CN2CCC[C@@H](C)[C@H]2C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001594056741 958041813 /nfs/dbraw/zinc/04/18/13/958041813.db2.gz XNKRLNMUSRUCLA-OTYXRUKQSA-N -1 1 326.324 2.428 20 5 EEBDMM C[C@](CO)(NCc1cc(C(=O)[O-])cs1)c1cccc([N+](=O)[O-])c1 ZINC001592750441 979312523 /nfs/dbraw/zinc/31/25/23/979312523.db2.gz MKTXEDVPOIOTJB-OAHLLOKOSA-N -1 1 336.369 2.352 20 5 EEBDMM C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@](C)(C(=O)[O-])C1 ZINC001589444238 986797377 /nfs/dbraw/zinc/79/73/77/986797377.db2.gz IUFMPABAXBPAGY-ZBEGNZNMSA-N -1 1 335.360 2.109 20 5 EEBDMM CC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000451685296 243206141 /nfs/dbraw/zinc/20/61/41/243206141.db2.gz XDYDILBHCYGKBX-VXGBXAGGSA-N -1 1 344.437 2.306 20 5 EEBDMM CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262986710 245285239 /nfs/dbraw/zinc/28/52/39/245285239.db2.gz NTIUALYRNLFQMI-HNNXBMFYSA-N -1 1 334.332 2.090 20 5 EEBDMM COc1c2ccccc2oc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000356605070 141024626 /nfs/dbraw/zinc/02/46/26/141024626.db2.gz WWQYNKRFFJMSHH-UHFFFAOYSA-N -1 1 343.295 2.380 20 5 EEBDMM CN(C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(F)cc1 ZINC000130427014 292373286 /nfs/dbraw/zinc/37/32/86/292373286.db2.gz UUVYLSLFYTYDLW-OAHLLOKOSA-N -1 1 347.346 2.472 20 5 EEBDMM CCC1(CC)[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H](C)[C@@H]1OC ZINC000185905103 160051313 /nfs/dbraw/zinc/05/13/13/160051313.db2.gz ZMJWRSPRKKENTN-WQAKAFBOSA-N -1 1 337.376 2.265 20 5 EEBDMM O=C(Nc1cccc(CN2CCOCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000344442713 161227906 /nfs/dbraw/zinc/22/79/06/161227906.db2.gz RLUPJTSJSDIJPP-UHFFFAOYSA-N -1 1 330.344 2.007 20 5 EEBDMM COc1cccc2c1CC[C@H]2NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000150907847 292467733 /nfs/dbraw/zinc/46/77/33/292467733.db2.gz BBOFWTJAZDZFNB-CYBMUJFWSA-N -1 1 329.312 2.121 20 5 EEBDMM CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n[nH]1 ZINC000277915325 269198083 /nfs/dbraw/zinc/19/80/83/269198083.db2.gz RALSLIKEPLQYIF-BDAKNGLRSA-N -1 1 333.348 2.423 20 5 EEBDMM C[C@H](CC(C)(C)O)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000295467996 293729219 /nfs/dbraw/zinc/72/92/19/293729219.db2.gz LSJJILDQNBWFOI-MRVPVSSYSA-N -1 1 336.797 2.076 20 5 EEBDMM CN1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H](c2ccccc2)C1 ZINC000436956075 315015723 /nfs/dbraw/zinc/01/57/23/315015723.db2.gz LBIJDUMVXAXXPE-HOTGVXAUSA-N -1 1 341.367 2.128 20 5 EEBDMM C[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000524648750 317021196 /nfs/dbraw/zinc/02/11/96/317021196.db2.gz IYZAQHULKOLWTR-GFCCVEGCSA-N -1 1 335.385 2.289 20 5 EEBDMM CC1(C)CCC[C@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000562550330 318896232 /nfs/dbraw/zinc/89/62/32/318896232.db2.gz RMYZGCICNXTFJB-NSHDSACASA-N -1 1 327.406 2.485 20 5 EEBDMM O=C([O-])[C@H]1CC12CCN(Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000571812187 319789831 /nfs/dbraw/zinc/78/98/31/319789831.db2.gz ZEIVGTQQSYDGFT-LLVKDONJSA-N -1 1 331.328 2.423 20 5 EEBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1CCC[C@@H](C)C1 ZINC000577706884 320270670 /nfs/dbraw/zinc/27/06/70/320270670.db2.gz NHMXCGGZDQUANX-GRYCIOLGSA-N -1 1 327.406 2.483 20 5 EEBDMM CCCC[C@@H](CCC)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000339046800 465050031 /nfs/dbraw/zinc/05/00/31/465050031.db2.gz ANQUSIQCHDGSMN-LLVKDONJSA-N -1 1 332.426 2.448 20 5 EEBDMM Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000590538295 468269445 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ZINC001593479122 1349812382 /nfs/dbraw/zinc/81/23/82/1349812382.db2.gz VDUDAJPRADHNFR-UHFFFAOYSA-N -1 1 338.327 2.322 20 5 EEBDMM COCC[C@H]1CCCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001605080408 1351074999 /nfs/dbraw/zinc/07/49/99/1351074999.db2.gz DNFBXZNWXSLJQW-GFCCVEGCSA-N -1 1 346.391 2.418 20 5 EEBDMM COCC[C@H]1CCCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001605080408 1351075001 /nfs/dbraw/zinc/07/50/01/1351075001.db2.gz DNFBXZNWXSLJQW-GFCCVEGCSA-N -1 1 346.391 2.418 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001607076699 1351407239 /nfs/dbraw/zinc/40/72/39/1351407239.db2.gz CVVKWILDVJVWEK-IAQYHMDHSA-N -1 1 341.306 2.219 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001607076699 1351407240 /nfs/dbraw/zinc/40/72/40/1351407240.db2.gz CVVKWILDVJVWEK-IAQYHMDHSA-N -1 1 341.306 2.219 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1ccc2n[nH]cc2c1 ZINC001607077686 1351407774 /nfs/dbraw/zinc/40/77/74/1351407774.db2.gz 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O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(Nc2ccccc2)CC1 ZINC001318048529 1332465192 /nfs/dbraw/zinc/46/51/92/1332465192.db2.gz SCUCRWDOLCNDSN-UHFFFAOYSA-N -1 1 342.355 2.412 20 5 EEBDMM CN(CCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001609276042 1351918004 /nfs/dbraw/zinc/91/80/04/1351918004.db2.gz DFMKVXNALOFVPW-UHFFFAOYSA-N -1 1 339.359 2.323 20 5 EEBDMM COc1ccc(CNc2cc(C)nc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001609355806 1351944834 /nfs/dbraw/zinc/94/48/34/1351944834.db2.gz LWMMODCDUBLZTM-UHFFFAOYSA-N -1 1 341.331 2.099 20 5 EEBDMM COc1ccc(CNc2cc(C)nc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001609355806 1351944835 /nfs/dbraw/zinc/94/48/35/1351944835.db2.gz LWMMODCDUBLZTM-UHFFFAOYSA-N -1 1 341.331 2.099 20 5 EEBDMM Nc1cc(NC[C@@H]2C[C@H]2C2CCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609511114 1352002200 /nfs/dbraw/zinc/00/22/00/1352002200.db2.gz YBCKQFUDSHNOHF-ONGXEEELSA-N -1 1 329.364 2.205 20 5 EEBDMM Nc1cc(NC[C@@H]2C[C@H]2C2CCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609511114 1352002202 /nfs/dbraw/zinc/00/22/02/1352002202.db2.gz YBCKQFUDSHNOHF-ONGXEEELSA-N -1 1 329.364 2.205 20 5 EEBDMM O=[N+]([O-])c1cn([C@@H]2CCc3cc(Cl)ccc32)nc1-c1nn[n-]n1 ZINC001582805044 1344793069 /nfs/dbraw/zinc/79/30/69/1344793069.db2.gz WYHOOYKWEWLYRR-SNVBAGLBSA-N -1 1 331.723 2.160 20 5 EEBDMM CC(C)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001589738961 1349026151 /nfs/dbraw/zinc/02/61/51/1349026151.db2.gz ALGMLIAIAVHNCH-GFCCVEGCSA-N -1 1 332.364 2.169 20 5 EEBDMM CC[C@H](Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001590474125 1349347226 /nfs/dbraw/zinc/34/72/26/1349347226.db2.gz YQZSYAHKGASANO-JQWIXIFHSA-N -1 1 332.364 2.392 20 5 EEBDMM CC[C@H](Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001590474125 1349347233 /nfs/dbraw/zinc/34/72/33/1349347233.db2.gz YQZSYAHKGASANO-JQWIXIFHSA-N -1 1 332.364 2.392 20 5 EEBDMM CCCC[C@](C)(CO)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590573657 1349373030 /nfs/dbraw/zinc/37/30/30/1349373030.db2.gz DOPMPCLLJHDKEG-GFCCVEGCSA-N -1 1 326.382 2.190 20 5 EEBDMM CCCC[C@](C)(CO)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590573657 1349373035 /nfs/dbraw/zinc/37/30/35/1349373035.db2.gz DOPMPCLLJHDKEG-GFCCVEGCSA-N -1 1 326.382 2.190 20 5 EEBDMM COCC1(C)CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001591386027 1349477269 /nfs/dbraw/zinc/47/72/69/1349477269.db2.gz HASMSCMJLDSSHS-UHFFFAOYSA-N -1 1 332.364 2.028 20 5 EEBDMM COCC1(C)CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001591386027 1349477271 /nfs/dbraw/zinc/47/72/71/1349477271.db2.gz HASMSCMJLDSSHS-UHFFFAOYSA-N -1 1 332.364 2.028 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc2ncccc2c1 ZINC001593465666 1349802818 /nfs/dbraw/zinc/80/28/18/1349802818.db2.gz VCNKLLJBMPSESR-UHFFFAOYSA-N -1 1 348.326 2.330 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc2ncccc2c1 ZINC001593465666 1349802821 /nfs/dbraw/zinc/80/28/21/1349802821.db2.gz VCNKLLJBMPSESR-UHFFFAOYSA-N -1 1 348.326 2.330 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CCC(F)(F)C1 ZINC001593465908 1349803171 /nfs/dbraw/zinc/80/31/71/1349803171.db2.gz ZNKIOYWNPJIVEJ-ZETCQYMHSA-N -1 1 325.279 2.017 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CCC(F)(F)C1 ZINC001593465908 1349803175 /nfs/dbraw/zinc/80/31/75/1349803175.db2.gz ZNKIOYWNPJIVEJ-ZETCQYMHSA-N -1 1 325.279 2.017 20 5 EEBDMM O=[N+]([O-])c1cc(N2CCC([C@H]3CCCO3)CC2)ccc1-c1nn[n-]n1 ZINC001593470259 1349806144 /nfs/dbraw/zinc/80/61/44/1349806144.db2.gz BLFWKNRWMWUFEK-OAHLLOKOSA-N -1 1 344.375 2.170 20 5 EEBDMM O=[N+]([O-])c1cc(NC[C@@H]2CCC3(CCC3)O2)ccc1-c1nn[n-]n1 ZINC001593473428 1349807762 /nfs/dbraw/zinc/80/77/62/1349807762.db2.gz CBYMRQUEFIKMSI-NSHDSACASA-N -1 1 330.348 2.289 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@@H](c2nccs2)C1 ZINC001593488207 1349815776 /nfs/dbraw/zinc/81/57/76/1349815776.db2.gz RYPIBAKYTORFBQ-SSDOTTSWSA-N -1 1 349.401 2.287 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@@H](c2nccs2)C1 ZINC001593488207 1349815780 /nfs/dbraw/zinc/81/57/80/1349815780.db2.gz RYPIBAKYTORFBQ-SSDOTTSWSA-N -1 1 349.401 2.287 20 5 EEBDMM Cc1nn(CN2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC001600788706 1350137686 /nfs/dbraw/zinc/13/76/86/1350137686.db2.gz DGQZTVHTSVDWJZ-LSDHHAIUSA-N -1 1 344.371 2.166 20 5 EEBDMM CC[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C1CCOCC1 ZINC001604063923 1350843879 /nfs/dbraw/zinc/84/38/79/1350843879.db2.gz NXIZWBMNARUSFR-SECBINFHSA-N -1 1 338.393 2.454 20 5 EEBDMM CC[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C1CCOCC1 ZINC001604063923 1350843883 /nfs/dbraw/zinc/84/38/83/1350843883.db2.gz NXIZWBMNARUSFR-SECBINFHSA-N -1 1 338.393 2.454 20 5 EEBDMM C[C@@](NCc1cnc(C2CC2)nc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604347338 1350920877 /nfs/dbraw/zinc/92/08/77/1350920877.db2.gz CJBXHPBACAKEFL-KRWDZBQOSA-N -1 1 342.355 2.352 20 5 EEBDMM CCOC1CC(CCNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001604409684 1350931592 /nfs/dbraw/zinc/93/15/92/1350931592.db2.gz WXCQKDODHBYEOQ-UHFFFAOYSA-N -1 1 332.364 2.392 20 5 EEBDMM COC1CCC(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001605030129 1351061699 /nfs/dbraw/zinc/06/16/99/1351061699.db2.gz PTQDSALZNAKFQW-UHFFFAOYSA-N -1 1 332.364 2.392 20 5 EEBDMM COC1CCC(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001605030129 1351061702 /nfs/dbraw/zinc/06/17/02/1351061702.db2.gz PTQDSALZNAKFQW-UHFFFAOYSA-N -1 1 332.364 2.392 20 5 EEBDMM Cc1cc(Cl)nc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001605668949 1351213813 /nfs/dbraw/zinc/21/38/13/1351213813.db2.gz OAEZKPGFKFFEHW-UHFFFAOYSA-N -1 1 346.738 2.139 20 5 EEBDMM Cc1cc(Cl)nc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001605668949 1351213815 /nfs/dbraw/zinc/21/38/15/1351213815.db2.gz OAEZKPGFKFFEHW-UHFFFAOYSA-N -1 1 346.738 2.139 20 5 EEBDMM O=[N+]([O-])c1c(NCC2(O)CCCCCC2)cccc1-c1nnn[n-]1 ZINC001607078299 1351407688 /nfs/dbraw/zinc/40/76/88/1351407688.db2.gz TYWZRDXBPCYHSV-UHFFFAOYSA-N -1 1 332.364 2.272 20 5 EEBDMM O=[N+]([O-])c1c(NCC2(O)CCCCCC2)cccc1-c1nn[n-]n1 ZINC001607078299 1351407689 /nfs/dbraw/zinc/40/76/89/1351407689.db2.gz TYWZRDXBPCYHSV-UHFFFAOYSA-N -1 1 332.364 2.272 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCC([C@@H]3CCCO3)CC2)cc1-c1nnn[n-]1 ZINC001607082243 1351410011 /nfs/dbraw/zinc/41/00/11/1351410011.db2.gz UQLNLRJFYQVTRK-HNNXBMFYSA-N -1 1 344.375 2.170 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCC([C@@H]3CCCO3)CC2)cc1-c1nn[n-]n1 ZINC001607082243 1351410014 /nfs/dbraw/zinc/41/00/14/1351410014.db2.gz UQLNLRJFYQVTRK-HNNXBMFYSA-N -1 1 344.375 2.170 20 5 EEBDMM CC(C)(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000817038188 784460569 /nfs/dbraw/zinc/46/05/69/784460569.db2.gz VYBFSTKFEGLYHX-UHFFFAOYSA-N -1 1 346.299 2.269 20 5 EEBDMM COC(=O)[C@H]([N-]c1cc(F)c(OC)cc1[N+](=O)[O-])C(F)(F)F ZINC001171016163 787717631 /nfs/dbraw/zinc/71/76/31/787717631.db2.gz YZYNKCAXOBZQRY-VIFPVBQESA-N -1 1 326.202 2.258 20 5 EEBDMM Cc1ccncc1[C@H](C)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826315551 947921437 /nfs/dbraw/zinc/92/14/37/947921437.db2.gz MLIYKWRSSFGKQK-VIFPVBQESA-N -1 1 326.320 2.046 20 5 EEBDMM Cc1ccncc1[C@H](C)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826315551 947921444 /nfs/dbraw/zinc/92/14/44/947921444.db2.gz MLIYKWRSSFGKQK-VIFPVBQESA-N -1 1 326.320 2.046 20 5 EEBDMM CN(CCCOc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186915391 529896214 /nfs/dbraw/zinc/89/62/14/529896214.db2.gz HFBRUKRUBXVGPT-UHFFFAOYSA-N -1 1 331.328 2.237 20 5 EEBDMM COCCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101575481 219141214 /nfs/dbraw/zinc/14/12/14/219141214.db2.gz VFTHIHWROLBTKL-UHFFFAOYSA-N -1 1 336.797 2.343 20 5 EEBDMM Cc1noc([N-]C(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000122441328 292272945 /nfs/dbraw/zinc/27/29/45/292272945.db2.gz RFOJTXPKAJQMFF-UHFFFAOYSA-N -1 1 327.094 2.301 20 5 EEBDMM O=C(NCCCOc1ccc(F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187040976 160091174 /nfs/dbraw/zinc/09/11/74/160091174.db2.gz COHPRZWZHHFBTF-UHFFFAOYSA-N -1 1 335.291 2.033 20 5 EEBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1N1C(=O)CCC1=O ZINC000341800226 161014302 /nfs/dbraw/zinc/01/43/02/161014302.db2.gz QLDDIOCACXNQNO-UHFFFAOYSA-N -1 1 342.311 2.137 20 5 EEBDMM Cc1ccccc1OCCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000355707352 163276230 /nfs/dbraw/zinc/27/62/30/163276230.db2.gz VSVXCIADNGNFAM-UHFFFAOYSA-N -1 1 331.328 2.203 20 5 EEBDMM Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000359979284 164208212 /nfs/dbraw/zinc/20/82/12/164208212.db2.gz WBYWIILICXZURM-UHFFFAOYSA-N -1 1 336.325 2.402 20 5 EEBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccnc(N(C)C)c1 ZINC000360242764 164265958 /nfs/dbraw/zinc/26/59/58/164265958.db2.gz RDKWVFZAKUIYPK-UHFFFAOYSA-N -1 1 336.373 2.165 20 5 EEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC(F)(F)F)c(Cl)c1 ZINC000360843882 164389781 /nfs/dbraw/zinc/38/97/81/164389781.db2.gz AKVZFOJQJSPCPX-UHFFFAOYSA-N -1 1 332.687 2.479 20 5 EEBDMM C[C@@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000360318954 279062605 /nfs/dbraw/zinc/06/26/05/279062605.db2.gz OQAIDZIASHNMQL-CPFSXVBKSA-N -1 1 333.275 2.087 20 5 EEBDMM C[C@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000360318961 280078586 /nfs/dbraw/zinc/07/85/86/280078586.db2.gz OQAIDZIASHNMQL-UHLUBPPHSA-N -1 1 333.275 2.087 20 5 EEBDMM CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1 ZINC000181904259 289363231 /nfs/dbraw/zinc/36/32/31/289363231.db2.gz FYYARFBOYANZEH-OAHLLOKOSA-N -1 1 347.346 2.472 20 5 EEBDMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cn2)C[C@@H](C)O1 ZINC000299134152 294670185 /nfs/dbraw/zinc/67/01/85/294670185.db2.gz ZTMRUUBPLCNFRO-GHMZBOCLSA-N -1 1 345.359 2.184 20 5 EEBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cccc(N4CCOCC4)c3)no2)[n-]1 ZINC000351128410 312367262 /nfs/dbraw/zinc/36/72/62/312367262.db2.gz DSZIEFKKJSMRIV-UHFFFAOYSA-N -1 1 341.327 2.477 20 5 EEBDMM CCOC(=O)c1c[n-]c(NC(=O)c2c(OCC)cccc2[N+](=O)[O-])n1 ZINC000415648523 313160334 /nfs/dbraw/zinc/16/03/34/313160334.db2.gz OIXPFOKLMUMUSM-UHFFFAOYSA-N -1 1 348.315 2.146 20 5 EEBDMM O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445169886 315349414 /nfs/dbraw/zinc/34/94/14/315349414.db2.gz AKDYBZXGJGXRTO-GFCCVEGCSA-N -1 1 347.302 2.478 20 5 EEBDMM O=C([O-])c1cccc(F)c1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000547920937 318334226 /nfs/dbraw/zinc/33/42/26/318334226.db2.gz UMLIEUDGOLOVFE-UHFFFAOYSA-N -1 1 346.317 2.294 20 5 EEBDMM COc1ccc([N+](=O)[O-])cc1CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000566357259 319278400 /nfs/dbraw/zinc/27/84/00/319278400.db2.gz MSRVQIVLPWISLB-AWEZNQCLSA-N -1 1 338.360 2.059 20 5 EEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2OC(F)F)s1 ZINC000337334904 465311135 /nfs/dbraw/zinc/31/11/35/465311135.db2.gz KZXIELJDJFYUSG-NKWVEPMBSA-N -1 1 342.345 2.095 20 5 EEBDMM CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)s1 ZINC000066268984 462869534 /nfs/dbraw/zinc/86/95/34/462869534.db2.gz VWOQUHQKYWBWOJ-UHFFFAOYSA-N -1 1 336.329 2.032 20 5 EEBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000053797547 463189651 /nfs/dbraw/zinc/18/96/51/463189651.db2.gz BKTUDNKYAUOUHM-UHFFFAOYSA-N -1 1 340.221 2.465 20 5 EEBDMM COC(=O)c1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2NC(C)C)on1 ZINC000590872383 468362656 /nfs/dbraw/zinc/36/26/56/468362656.db2.gz LEWSWDFUVXBDGH-UHFFFAOYSA-N -1 1 348.315 2.442 20 5 EEBDMM C[C@]1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCS1 ZINC000126173497 463613370 /nfs/dbraw/zinc/61/33/70/463613370.db2.gz UOMSBXAVBBQJBW-GFCCVEGCSA-N -1 1 334.394 2.298 20 5 EEBDMM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000285625045 464634324 /nfs/dbraw/zinc/63/43/24/464634324.db2.gz NOYGKCMWKTWRSP-UWVGGRQHSA-N -1 1 348.808 2.199 20 5 EEBDMM C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H](C)C1 ZINC000346127650 465937805 /nfs/dbraw/zinc/93/78/05/465937805.db2.gz CQSTXBBAOZZQJK-ZOWXZIJZSA-N -1 1 333.388 2.103 20 5 EEBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC000361773580 466275451 /nfs/dbraw/zinc/27/54/51/466275451.db2.gz SYEAGUWQMUXUTE-UHFFFAOYSA-N -1 1 346.315 2.171 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](Oc2ccccc2)C1 ZINC000373091407 466689316 /nfs/dbraw/zinc/68/93/16/466689316.db2.gz CAGLGDHAFBSXJN-AWEZNQCLSA-N -1 1 343.339 2.379 20 5 EEBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc2c(cn1)CCC2 ZINC000451046522 467234033 /nfs/dbraw/zinc/23/40/33/467234033.db2.gz GPBCDGYSAXSUHN-UHFFFAOYSA-N -1 1 347.396 2.463 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CC1 ZINC000610212449 469988500 /nfs/dbraw/zinc/98/85/00/469988500.db2.gz XXQJWIPBPCQJKN-AWEZNQCLSA-N -1 1 333.369 2.419 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCSc1ccccc1 ZINC000610212193 469988592 /nfs/dbraw/zinc/98/85/92/469988592.db2.gz NSBRWBGPUDAIOO-UHFFFAOYSA-N -1 1 339.398 2.060 20 5 EEBDMM COC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000610266610 469997312 /nfs/dbraw/zinc/99/73/12/469997312.db2.gz GIZDOSRAKXKWBD-SNVBAGLBSA-N -1 1 336.797 2.198 20 5 EEBDMM CCOc1ccccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821438276 606701304 /nfs/dbraw/zinc/70/13/04/606701304.db2.gz XGPCGVPSQPNSJW-UHFFFAOYSA-N -1 1 341.331 2.181 20 5 EEBDMM CCOc1ccccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821438276 606701305 /nfs/dbraw/zinc/70/13/05/606701305.db2.gz XGPCGVPSQPNSJW-UHFFFAOYSA-N -1 1 341.331 2.181 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1cccc(Cl)c1 ZINC000823625504 607163231 /nfs/dbraw/zinc/16/32/31/607163231.db2.gz XABUGEZBMRGDGI-UHFFFAOYSA-N -1 1 345.750 2.478 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1cccc(Cl)c1 ZINC000823625504 607163233 /nfs/dbraw/zinc/16/32/33/607163233.db2.gz XABUGEZBMRGDGI-UHFFFAOYSA-N -1 1 345.750 2.478 20 5 EEBDMM Cc1ccc(N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)c([N+](=O)[O-])c1 ZINC001059196917 683179538 /nfs/dbraw/zinc/17/95/38/683179538.db2.gz OAJBECHYOCSICW-HAQNSBGRSA-N -1 1 342.355 2.377 20 5 EEBDMM CCOCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814975225 1199816186 /nfs/dbraw/zinc/81/61/86/1199816186.db2.gz YJWQWEKMHKMCHZ-UHFFFAOYSA-N -1 1 340.760 2.092 20 5 EEBDMM COCc1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000119584414 1229556350 /nfs/dbraw/zinc/55/63/50/1229556350.db2.gz DGRGQNJXTXCINH-UHFFFAOYSA-N -1 1 342.398 2.281 20 5 EEBDMM COC(=O)c1cn(-c2cc([O-])cc([N+](=O)[O-])c2)c2ncc(N)cc12 ZINC001199814676 1285840209 /nfs/dbraw/zinc/84/02/09/1285840209.db2.gz MZLIHXJENYFAGH-UHFFFAOYSA-N -1 1 328.284 2.008 20 5 EEBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@H]4C[C@@H](O)C4)cc3c(=O)c12 ZINC001218423674 1297659854 /nfs/dbraw/zinc/65/98/54/1297659854.db2.gz MQXKOGIVCYCMAO-WAAGHKOSSA-N -1 1 344.319 2.268 20 5 EEBDMM O=C1O[C@@H](COc2[n-]ccc(=O)c2[N+](=O)[O-])CN1c1cccc(F)c1 ZINC001225667081 1301117354 /nfs/dbraw/zinc/11/73/54/1301117354.db2.gz PBAQLAFBMKEOQZ-LLVKDONJSA-N -1 1 349.274 2.239 20 5 EEBDMM O=C(NC[C@H]1C[C@@H]1Cc1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306907888 1331496981 /nfs/dbraw/zinc/49/69/81/1331496981.db2.gz ZCRYSIRDRGIDGM-QWHCGFSZSA-N -1 1 327.340 2.304 20 5 EEBDMM Cc1cccnc1C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001309168392 1331620335 /nfs/dbraw/zinc/62/03/35/1331620335.db2.gz PAPHUDWPYONDDG-UHFFFAOYSA-N -1 1 339.348 2.224 20 5 EEBDMM O=C([O-])CC1(NCc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC001608688121 1351742377 /nfs/dbraw/zinc/74/23/77/1351742377.db2.gz YZHGBNCOHCFNQC-UHFFFAOYSA-N -1 1 329.150 2.454 20 5 EEBDMM C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001609637626 1352047260 /nfs/dbraw/zinc/04/72/60/1352047260.db2.gz DNXIDPHOSOZOAV-BDJLRTHQSA-N -1 1 335.360 2.109 20 5 EEBDMM O=C([O-])[C@H]1CCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001610803833 1352277495 /nfs/dbraw/zinc/27/74/95/1352277495.db2.gz BTHCDGCJGJEBKR-CQSZACIVSA-N -1 1 344.327 2.064 20 5 EEBDMM CC[C@H](Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC001590474126 1349347705 /nfs/dbraw/zinc/34/77/05/1349347705.db2.gz YQZSYAHKGASANO-PWSUYJOCSA-N -1 1 332.364 2.392 20 5 EEBDMM CC[C@H](Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC001590474126 1349347710 /nfs/dbraw/zinc/34/77/10/1349347710.db2.gz YQZSYAHKGASANO-PWSUYJOCSA-N -1 1 332.364 2.392 20 5 EEBDMM COc1cccc2c1CN(c1cc(-c3nnn[n-]3)sc1[N+](=O)[O-])C2 ZINC001591643320 1349520873 /nfs/dbraw/zinc/52/08/73/1349520873.db2.gz IVQKVKAOIGDQBL-UHFFFAOYSA-N -1 1 344.356 2.365 20 5 EEBDMM COc1cccc2c1CN(c1cc(-c3nn[n-]n3)sc1[N+](=O)[O-])C2 ZINC001591643320 1349520878 /nfs/dbraw/zinc/52/08/78/1349520878.db2.gz IVQKVKAOIGDQBL-UHFFFAOYSA-N -1 1 344.356 2.365 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCOC[C@@H](C2CCC2)C1 ZINC001593465821 1349803909 /nfs/dbraw/zinc/80/39/09/1349803909.db2.gz GVYMQVTWBTWOOR-LBPRGKRZSA-N -1 1 344.375 2.028 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCOC[C@@H](C2CCC2)C1 ZINC001593465821 1349803912 /nfs/dbraw/zinc/80/39/12/1349803912.db2.gz GVYMQVTWBTWOOR-LBPRGKRZSA-N -1 1 344.375 2.028 20 5 EEBDMM O=[N+]([O-])c1cc(N2CCC([C@@H]3CCCO3)CC2)ccc1-c1nn[n-]n1 ZINC001593470256 1349805948 /nfs/dbraw/zinc/80/59/48/1349805948.db2.gz BLFWKNRWMWUFEK-HNNXBMFYSA-N -1 1 344.375 2.170 20 5 EEBDMM O=[N+]([O-])c1cc(Cl)ccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC001593473362 1349807879 /nfs/dbraw/zinc/80/78/79/1349807879.db2.gz YXQDEKVXRGFVFR-UHFFFAOYSA-N -1 1 331.723 2.435 20 5 EEBDMM O=[N+]([O-])c1cc(Cl)ccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC001593473362 1349807883 /nfs/dbraw/zinc/80/78/83/1349807883.db2.gz YXQDEKVXRGFVFR-UHFFFAOYSA-N -1 1 331.723 2.435 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)c(OCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001593474882 1349809101 /nfs/dbraw/zinc/80/91/01/1349809101.db2.gz BUEVRBNSTLIXTD-UHFFFAOYSA-N -1 1 338.736 2.464 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)c(OCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001593474882 1349809106 /nfs/dbraw/zinc/80/91/06/1349809106.db2.gz BUEVRBNSTLIXTD-UHFFFAOYSA-N -1 1 338.736 2.464 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC[C@H](CCF)C1 ZINC001593488294 1349815749 /nfs/dbraw/zinc/81/57/49/1349815749.db2.gz ULTDORDRSSQPIR-MRVPVSSYSA-N -1 1 326.357 2.412 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC[C@H](CCF)C1 ZINC001593488294 1349815753 /nfs/dbraw/zinc/81/57/53/1349815753.db2.gz ULTDORDRSSQPIR-MRVPVSSYSA-N -1 1 326.357 2.412 20 5 EEBDMM Cc1cc(C)c(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cn1 ZINC001600161228 1349982928 /nfs/dbraw/zinc/98/29/28/1349982928.db2.gz HXMAGMXQIMOBKD-UHFFFAOYSA-N -1 1 345.355 2.360 20 5 EEBDMM O=C([O-])c1cccc2nc(NC(=O)Cc3ccccc3[N+](=O)[O-])[nH]c21 ZINC001601370098 1350268840 /nfs/dbraw/zinc/26/88/40/1350268840.db2.gz QUXCWWVNOSZWRT-UHFFFAOYSA-N -1 1 340.295 2.351 20 5 EEBDMM CC(C)[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C(C)(C)O ZINC001603388400 1350699537 /nfs/dbraw/zinc/69/95/37/1350699537.db2.gz WWWJROBXXCYNLU-VIFPVBQESA-N -1 1 326.382 2.044 20 5 EEBDMM CC(C)[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C(C)(C)O ZINC001603388400 1350699543 /nfs/dbraw/zinc/69/95/43/1350699543.db2.gz WWWJROBXXCYNLU-VIFPVBQESA-N -1 1 326.382 2.044 20 5 EEBDMM CCc1nc(Oc2cc(C)ccc2[N+](=O)[O-])cc(-c2nnn[n-]2)n1 ZINC001604570531 1350962285 /nfs/dbraw/zinc/96/22/85/1350962285.db2.gz HKJHEKRMTAVQIB-UHFFFAOYSA-N -1 1 327.304 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CC[C@@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@@H](CC)CO1 ZINC001590523233 1403884316 /nfs/dbraw/zinc/88/43/16/1403884316.db2.gz VVQZNROGKWFMIN-CMPLNLGQSA-N -1 1 332.364 2.169 20 5 EEBDMM Cc1cc(N2CCc3c(cccc3[N+](=O)[O-])C2)cc(-c2nnn[n-]2)n1 ZINC001592009835 1403982888 /nfs/dbraw/zinc/98/28/88/1403982888.db2.gz SBPPVCIBGKJAKR-UHFFFAOYSA-N -1 1 337.343 2.041 20 5 EEBDMM Cc1cc(N2CCc3c(cccc3[N+](=O)[O-])C2)cc(-c2nn[n-]n2)n1 ZINC001592009835 1403982893 /nfs/dbraw/zinc/98/28/93/1403982893.db2.gz SBPPVCIBGKJAKR-UHFFFAOYSA-N -1 1 337.343 2.041 20 5 EEBDMM CN(CCN(C)c1ccc(F)cc1[N+](=O)[O-])C(=O)c1ncccc1[O-] ZINC001105376335 781072410 /nfs/dbraw/zinc/07/24/10/781072410.db2.gz RCOGVWORNASNOI-UHFFFAOYSA-N -1 1 348.334 2.043 20 5 EEBDMM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](C(=O)[O-])C1 ZINC000818075642 785177902 /nfs/dbraw/zinc/17/79/02/785177902.db2.gz FMOZXJCERYAATO-KOLCDFICSA-N -1 1 332.316 2.112 20 5 EEBDMM C[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F 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QAGOPMWLCZUPCN-SWLSCSKDSA-N -1 1 332.364 2.128 20 5 EEBDMM C[C@]1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCC[C@@H]1O ZINC001609149541 1351862613 /nfs/dbraw/zinc/86/26/13/1351862613.db2.gz QAGOPMWLCZUPCN-SWLSCSKDSA-N -1 1 332.364 2.128 20 5 EEBDMM CCOCCC1(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC001609239960 1351905021 /nfs/dbraw/zinc/90/50/21/1351905021.db2.gz CZSAYXIATHSWGO-UHFFFAOYSA-N -1 1 332.364 2.394 20 5 EEBDMM COCC1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCCCC1 ZINC001609319236 1351932039 /nfs/dbraw/zinc/93/20/39/1351932039.db2.gz LQKPSXLWHBKEIL-UHFFFAOYSA-N -1 1 347.379 2.179 20 5 EEBDMM COCC1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCCC1 ZINC001609319236 1351932041 /nfs/dbraw/zinc/93/20/41/1351932041.db2.gz LQKPSXLWHBKEIL-UHFFFAOYSA-N -1 1 347.379 2.179 20 5 EEBDMM CSCCCCCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609370841 1351949857 /nfs/dbraw/zinc/94/98/57/1351949857.db2.gz GOGVCDGWVPIZMY-UHFFFAOYSA-N -1 1 337.409 2.302 20 5 EEBDMM CSCCCCCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609370841 1351949860 /nfs/dbraw/zinc/94/98/60/1351949860.db2.gz GOGVCDGWVPIZMY-UHFFFAOYSA-N -1 1 337.409 2.302 20 5 EEBDMM Cc1cc(-c2nnn[n-]2)nc(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC001609392824 1351957652 /nfs/dbraw/zinc/95/76/52/1351957652.db2.gz IGBCBYLMUAELTG-UHFFFAOYSA-N -1 1 333.695 2.319 20 5 EEBDMM Cc1cc(-c2nn[n-]n2)nc(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC001609392824 1351957654 /nfs/dbraw/zinc/95/76/54/1351957654.db2.gz IGBCBYLMUAELTG-UHFFFAOYSA-N -1 1 333.695 2.319 20 5 EEBDMM O=[N+]([O-])c1c(NCc2nnc(C3CC3)s2)cccc1-c1nnn[n-]1 ZINC001609600044 1352029640 /nfs/dbraw/zinc/02/96/40/1352029640.db2.gz NWNAYQXDOBDHBT-UHFFFAOYSA-N -1 1 344.360 2.116 20 5 EEBDMM O=[N+]([O-])c1c(NCc2nnc(C3CC3)s2)cccc1-c1nn[n-]n1 ZINC001609600044 1352029646 /nfs/dbraw/zinc/02/96/46/1352029646.db2.gz NWNAYQXDOBDHBT-UHFFFAOYSA-N -1 1 344.360 2.116 20 5 EEBDMM O=[N+]([O-])c1cc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)ccc1-c1nn[n-]n1 ZINC001609601266 1352031148 /nfs/dbraw/zinc/03/11/48/1352031148.db2.gz UTPOKMYVJGBRLV-SUHUHFCYSA-N -1 1 330.348 2.144 20 5 EEBDMM CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)CC(=O)[O-] ZINC001610125849 1352167735 /nfs/dbraw/zinc/16/77/35/1352167735.db2.gz DJFMSUMJGCVNCI-UHFFFAOYSA-N -1 1 334.332 2.330 20 5 EEBDMM Cc1cccnc1CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001581264732 1344609318 /nfs/dbraw/zinc/60/93/18/1344609318.db2.gz GFDKVTVRDPROQY-UHFFFAOYSA-N -1 1 325.332 2.133 20 5 EEBDMM Cc1cccnc1CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001581264732 1344609322 /nfs/dbraw/zinc/60/93/22/1344609322.db2.gz GFDKVTVRDPROQY-UHFFFAOYSA-N -1 1 325.332 2.133 20 5 EEBDMM CC(C)(C)[C@@H]1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H]1O ZINC001589104442 1348960752 /nfs/dbraw/zinc/96/07/52/1348960752.db2.gz CZBOZKCARUESPJ-YPMHNXCESA-N -1 1 346.391 2.008 20 5 EEBDMM CC(C)(C)[C@@H]1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H]1O ZINC001589104442 1348960756 /nfs/dbraw/zinc/96/07/56/1348960756.db2.gz CZBOZKCARUESPJ-YPMHNXCESA-N -1 1 346.391 2.008 20 5 EEBDMM CC(C)COC1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001589640221 1349014536 /nfs/dbraw/zinc/01/45/36/1349014536.db2.gz GDRLOCDJCPYJOC-UHFFFAOYSA-N -1 1 346.391 2.416 20 5 EEBDMM CC(C)COC1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001589640221 1349014538 /nfs/dbraw/zinc/01/45/38/1349014538.db2.gz GDRLOCDJCPYJOC-UHFFFAOYSA-N -1 1 346.391 2.416 20 5 EEBDMM CC(C)O[C@H](Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)c1ccccc1 ZINC001589738584 1349026377 /nfs/dbraw/zinc/02/63/77/1349026377.db2.gz YBWQVQLDVYOAHR-CYBMUJFWSA-N -1 1 343.347 2.138 20 5 EEBDMM O=[N+]([O-])c1c(NCC[C@@H]2CCCC[C@@H]2O)cccc1-c1nnn[n-]1 ZINC001593465803 1349803722 /nfs/dbraw/zinc/80/37/22/1349803722.db2.gz SUNJZUVBWHASPE-GWCFXTLKSA-N -1 1 332.364 2.128 20 5 EEBDMM O=[N+]([O-])c1c(NCC[C@@H]2CCCC[C@@H]2O)cccc1-c1nn[n-]n1 ZINC001593465803 1349803725 /nfs/dbraw/zinc/80/37/25/1349803725.db2.gz SUNJZUVBWHASPE-GWCFXTLKSA-N -1 1 332.364 2.128 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CCCCC1(F)F 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/nfs/dbraw/zinc/66/74/01/1350667401.db2.gz WNSBGAOMLUOEAB-JTQLQIEISA-N -1 1 338.393 2.045 20 5 EEBDMM CC(C)[C@H](O)C1(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001603231512 1350667405 /nfs/dbraw/zinc/66/74/05/1350667405.db2.gz WNSBGAOMLUOEAB-JTQLQIEISA-N -1 1 338.393 2.045 20 5 EEBDMM CC(C)CCc1nc(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)cs1 ZINC001603284759 1350680109 /nfs/dbraw/zinc/68/01/09/1350680109.db2.gz ODOCVLQSVRHZDK-UHFFFAOYSA-N -1 1 348.392 2.065 20 5 EEBDMM C[C@]1(CCNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1(F)F ZINC001603800049 1350770626 /nfs/dbraw/zinc/77/06/26/1350770626.db2.gz GTGDFAPLHXNSEW-LBPRGKRZSA-N -1 1 339.306 2.204 20 5 EEBDMM C[C@]1(CCNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1(F)F ZINC001603800049 1350770629 /nfs/dbraw/zinc/77/06/29/1350770629.db2.gz GTGDFAPLHXNSEW-LBPRGKRZSA-N -1 1 339.306 2.204 20 5 EEBDMM CO[C@@H](CCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C(F)(F)F ZINC001605007765 1351051390 /nfs/dbraw/zinc/05/13/90/1351051390.db2.gz PFDVTUGKJQPEQV-JTQLQIEISA-N 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787836253 /nfs/dbraw/zinc/83/62/53/787836253.db2.gz ZTJUHUXUZHCRIX-UHFFFAOYSA-N -1 1 337.343 2.123 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCCc2ccccc2C1 ZINC000823621223 787836264 /nfs/dbraw/zinc/83/62/64/787836264.db2.gz ZTJUHUXUZHCRIX-UHFFFAOYSA-N -1 1 337.343 2.123 20 5 EEBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)C[C@@H]2CCCOC2)ccc1Cl ZINC000788139224 807391723 /nfs/dbraw/zinc/39/17/23/807391723.db2.gz KTBNAVNRHRNRMB-SECBINFHSA-N -1 1 334.781 2.417 20 5 EEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)OC2 ZINC000808125458 812444919 /nfs/dbraw/zinc/44/49/19/812444919.db2.gz ZZDYOCJXGIAWHV-UHFFFAOYSA-N -1 1 348.336 2.374 20 5 EEBDMM COc1c(O)ccc(CN[C@](C)(C(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC001604680458 973873075 /nfs/dbraw/zinc/87/30/75/973873075.db2.gz OVMZNXNURKBBOL-KRWDZBQOSA-N -1 1 346.339 2.399 20 5 EEBDMM C[C@](Cn1cccn1)(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC001592923567 979925372 /nfs/dbraw/zinc/92/53/72/979925372.db2.gz PHQLFTCFWPRUOC-CQSZACIVSA-N -1 1 338.751 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YBNMKNAYCHCQTM-IUCAKERBSA-N -1 1 334.781 2.094 20 5 EEBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)c1ccc(O)cc1 ZINC000436702837 314989877 /nfs/dbraw/zinc/98/98/77/314989877.db2.gz BWLACYDNGUSGGX-UHFFFAOYSA-N -1 1 336.687 2.481 20 5 EEBDMM COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000439725108 315093341 /nfs/dbraw/zinc/09/33/41/315093341.db2.gz WNPAIKXGQNEQGQ-RHSMWYFYSA-N -1 1 343.339 2.164 20 5 EEBDMM O=C(NC[C@@H]1SCCc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445004394 315337257 /nfs/dbraw/zinc/33/72/57/315337257.db2.gz GPPRXGWMTXQXKB-AWEZNQCLSA-N -1 1 345.380 2.456 20 5 EEBDMM O=c1[nH]cccc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000554611738 318568839 /nfs/dbraw/zinc/56/88/39/318568839.db2.gz OZLZAMKLXWEXCN-UHFFFAOYSA-N -1 1 329.721 2.150 20 5 EEBDMM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@H](c2ccccc2)O1 ZINC000130974888 462786176 /nfs/dbraw/zinc/78/61/76/462786176.db2.gz GZFRCOONJUVBOF-XHDPSFHLSA-N -1 1 343.339 2.298 20 5 EEBDMM 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IMRYUQNSSPFFSI-BDJLRTHQSA-N -1 1 346.343 2.234 20 5 EEBDMM CCOC(=O)c1nc(C)[nH]c1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000491934040 246222025 /nfs/dbraw/zinc/22/20/25/246222025.db2.gz DGBFIKMRQOWMSO-RMKNXTFCSA-N -1 1 344.327 2.455 20 5 EEBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C)ns2)cc1OC ZINC000266629700 248390072 /nfs/dbraw/zinc/39/00/72/248390072.db2.gz ILVXNYPREIBFLH-UHFFFAOYSA-N -1 1 338.345 2.414 20 5 EEBDMM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000118529030 221154589 /nfs/dbraw/zinc/15/45/89/221154589.db2.gz BJAPOFURGFXEIJ-GWCFXTLKSA-N -1 1 337.376 2.267 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(OC2CCCC2)CC1 ZINC000195203448 160207962 /nfs/dbraw/zinc/20/79/62/160207962.db2.gz DFTQASMFKQUUHE-UHFFFAOYSA-N -1 1 335.360 2.259 20 5 EEBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccon1 ZINC000342357830 161059079 /nfs/dbraw/zinc/05/90/79/161059079.db2.gz IMWOJNWHDSKIFT-ZETCQYMHSA-N -1 1 331.737 2.276 20 5 EEBDMM CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000345022773 161264798 /nfs/dbraw/zinc/26/47/98/161264798.db2.gz DMQJZKIGRSJUFU-OTYXRUKQSA-N -1 1 349.318 2.341 20 5 EEBDMM Cc1c(NC(=O)[C@@H](C)N2CCC[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000164654644 226091980 /nfs/dbraw/zinc/09/19/80/226091980.db2.gz SQKPDKDEOPPODX-NEPJUHHUSA-N -1 1 335.360 2.027 20 5 EEBDMM COC1([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000416620133 313275985 /nfs/dbraw/zinc/27/59/85/313275985.db2.gz RJDXVDMGXUVTRT-SECBINFHSA-N -1 1 348.808 2.484 20 5 EEBDMM CN(C)[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccsc1 ZINC000436953017 315015978 /nfs/dbraw/zinc/01/59/78/315015978.db2.gz ZHMIRSYWVZBTEK-ZDUSSCGKSA-N -1 1 335.385 2.395 20 5 EEBDMM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1(C)C ZINC000440388705 315127545 /nfs/dbraw/zinc/12/75/45/315127545.db2.gz IYKANCQSLUUKJS-QWRGUYRKSA-N -1 1 348.808 2.340 20 5 EEBDMM CCC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000532855701 317886307 /nfs/dbraw/zinc/88/63/07/317886307.db2.gz YEXARQHTDHVPNM-NEPJUHHUSA-N -1 1 344.437 2.448 20 5 EEBDMM COC(=O)c1cc(C(=O)Nc2cccc([O-])c2F)cc([N+](=O)[O-])c1 ZINC000534944330 468281291 /nfs/dbraw/zinc/28/12/91/468281291.db2.gz DYFLBBISTAUDRV-UHFFFAOYSA-N -1 1 334.259 2.478 20 5 EEBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1 ZINC000130767963 462775001 /nfs/dbraw/zinc/77/50/01/462775001.db2.gz FVADMVACNQGDMW-UHFFFAOYSA-N -1 1 347.356 2.229 20 5 EEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N2 ZINC000071081948 463406955 /nfs/dbraw/zinc/40/69/55/463406955.db2.gz FNQVJPAKRPNHGO-UHFFFAOYSA-N -1 1 347.352 2.199 20 5 EEBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC1CC1 ZINC000170794816 463707812 /nfs/dbraw/zinc/70/78/12/463707812.db2.gz BAEFLAPCJMZNMX-UHFFFAOYSA-N -1 1 335.179 2.046 20 5 EEBDMM C[C@@H](C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1cccc([N+](=O)[O-])c1 ZINC000579703016 468398458 /nfs/dbraw/zinc/39/84/58/468398458.db2.gz LCTVDPARRJSSSN-ZYHUDNBSSA-N -1 1 346.343 2.193 20 5 EEBDMM COc1ccc(CC(C)(C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000189063591 464424769 /nfs/dbraw/zinc/42/47/69/464424769.db2.gz SABHQXMYRMDXAZ-UHFFFAOYSA-N -1 1 345.355 2.455 20 5 EEBDMM Cc1nnc([C@H](C)[N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)s1 ZINC000353274829 465764591 /nfs/dbraw/zinc/76/45/91/465764591.db2.gz POUZBLVWMNQHOS-ZETCQYMHSA-N -1 1 332.345 2.978 20 5 EEBDMM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1sccc1F ZINC000338853064 466428352 /nfs/dbraw/zinc/42/83/52/466428352.db2.gz WUMYPVJZSIFELZ-UHFFFAOYSA-N -1 1 345.377 2.186 20 5 EEBDMM Cc1c(NS(=O)(=O)c2csc(C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000315673684 466564470 /nfs/dbraw/zinc/56/44/70/466564470.db2.gz KSMSNBDFPYOACJ-UHFFFAOYSA-N -1 1 342.354 2.464 20 5 EEBDMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000571083991 468737805 /nfs/dbraw/zinc/73/78/05/468737805.db2.gz YLHHKXLSSIYLHI-PWSUYJOCSA-N -1 1 346.343 2.330 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC[C@H]1CCc2ccccc21 ZINC000562552005 468990330 /nfs/dbraw/zinc/99/03/30/468990330.db2.gz SBRWJTWIDBMWFH-CYBMUJFWSA-N -1 1 347.396 2.388 20 5 EEBDMM CC[C@H](C)C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000572963655 469031077 /nfs/dbraw/zinc/03/10/77/469031077.db2.gz KRUZUALJZNXSTG-QPUJVOFHSA-N -1 1 334.332 2.090 20 5 EEBDMM Cc1cccc([C@@H](C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000610264842 469997201 /nfs/dbraw/zinc/99/72/01/469997201.db2.gz VPHPVFDOQJGIPI-LBPRGKRZSA-N -1 1 335.385 2.380 20 5 EEBDMM O=C([O-])c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000768889144 577565089 /nfs/dbraw/zinc/56/50/89/577565089.db2.gz PNHSVWGGOWWDQC-UHFFFAOYSA-N -1 1 346.317 2.294 20 5 EEBDMM O=C([O-])C[C@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000739639521 578061987 /nfs/dbraw/zinc/06/19/87/578061987.db2.gz OWVWVJYNTYCIKL-CYBMUJFWSA-N -1 1 346.343 2.474 20 5 EEBDMM O=[N+]([O-])c1cnc(Oc2cc(F)cc([N+](=O)[O-])c2)c(-c2nnn[n-]2)c1 ZINC000823635446 607331533 /nfs/dbraw/zinc/33/15/33/607331533.db2.gz WNTKXCPDHSISGD-UHFFFAOYSA-N -1 1 347.222 2.010 20 5 EEBDMM O=[N+]([O-])c1cnc(Oc2cc(F)cc([N+](=O)[O-])c2)c(-c2nn[n-]n2)c1 ZINC000823635446 607331534 /nfs/dbraw/zinc/33/15/34/607331534.db2.gz WNTKXCPDHSISGD-UHFFFAOYSA-N -1 1 347.222 2.010 20 5 EEBDMM COc1ccccc1CN(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821898055 606644192 /nfs/dbraw/zinc/64/41/92/606644192.db2.gz MCTHBEPIUTYTCE-UHFFFAOYSA-N -1 1 340.343 2.420 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CSc2ccccc21 ZINC000823620848 606711042 /nfs/dbraw/zinc/71/10/42/606711042.db2.gz RCSJTEFDEJALHQ-JTQLQIEISA-N -1 1 341.356 2.429 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CSc2ccccc21 ZINC000823620848 606711043 /nfs/dbraw/zinc/71/10/43/606711043.db2.gz RCSJTEFDEJALHQ-JTQLQIEISA-N -1 1 341.356 2.429 20 5 EEBDMM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000796234070 1215578912 /nfs/dbraw/zinc/57/89/12/1215578912.db2.gz BASBHNPKHPSUFR-UHFFFAOYSA-N -1 1 345.402 2.475 20 5 EEBDMM Nc1nonc1-c1nc2ccccc2n1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814734 1285840269 /nfs/dbraw/zinc/84/02/69/1285840269.db2.gz OCQAMWFRIXAJRQ-UHFFFAOYSA-N -1 1 338.283 2.272 20 5 EEBDMM COC(=O)[N-]C(=S)N(c1ccc([N+](=O)[O-])nc1)c1ccccc1N ZINC001203585057 1321917054 /nfs/dbraw/zinc/91/70/54/1321917054.db2.gz OAGHFZFSFFMOIK-UHFFFAOYSA-N -1 1 347.356 2.351 20 5 EEBDMM COc1ncc([N-]c2nnc(Br)s2)cc1[N+](=O)[O-] ZINC001210135526 1325173207 /nfs/dbraw/zinc/17/32/07/1325173207.db2.gz ULDSJMLCGKERDU-UHFFFAOYSA-N -1 1 332.139 2.356 20 5 EEBDMM COc1ncc(Nc2cccc(C(=O)N(C)C)c2[O-])cc1[N+](=O)[O-] ZINC001210140358 1325176156 /nfs/dbraw/zinc/17/61/56/1325176156.db2.gz PTTVEEBPYNCNNK-UHFFFAOYSA-N -1 1 332.316 2.149 20 5 EEBDMM O=C(NC[C@@H]1C[C@@H]1Cc1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306907889 1331497447 /nfs/dbraw/zinc/49/74/47/1331497447.db2.gz ZCRYSIRDRGIDGM-STQMWFEESA-N -1 1 327.340 2.304 20 5 EEBDMM O=C([O-])CN1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001608749562 1351755992 /nfs/dbraw/zinc/75/59/92/1351755992.db2.gz PFVQAXPOHXJJSO-UHFFFAOYSA-N -1 1 348.186 2.104 20 5 EEBDMM CC(C)(C)[C@@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001609075425 1351832260 /nfs/dbraw/zinc/83/22/60/1351832260.db2.gz XIUVUYWYNJMESX-LBPRGKRZSA-N -1 1 332.364 2.026 20 5 EEBDMM CC(C)(C)[C@@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001609075425 1351832261 /nfs/dbraw/zinc/83/22/61/1351832261.db2.gz XIUVUYWYNJMESX-LBPRGKRZSA-N -1 1 332.364 2.026 20 5 EEBDMM COC(=O)CCCCCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609297947 1351924450 /nfs/dbraw/zinc/92/44/50/1351924450.db2.gz GYFHEKQGCOSYSM-UHFFFAOYSA-N -1 1 348.363 2.310 20 5 EEBDMM COC(=O)CCCCCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609297947 1351924451 /nfs/dbraw/zinc/92/44/51/1351924451.db2.gz GYFHEKQGCOSYSM-UHFFFAOYSA-N -1 1 348.363 2.310 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1Sc1ccc(CO)cc1 ZINC001582805081 1344793012 /nfs/dbraw/zinc/79/30/12/1344793012.db2.gz YRJNBNYNWNAVFX-UHFFFAOYSA-N -1 1 335.370 2.480 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1Sc1ccc(CO)cc1 ZINC001582805081 1344793018 /nfs/dbraw/zinc/79/30/18/1344793018.db2.gz YRJNBNYNWNAVFX-UHFFFAOYSA-N -1 1 335.370 2.480 20 5 EEBDMM CC1(C)CC[C@@H](O)[C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590100798 1349156682 /nfs/dbraw/zinc/15/66/82/1349156682.db2.gz ZBQRDUREOSNQLS-DGCLKSJQSA-N -1 1 332.364 2.126 20 5 EEBDMM CC1(C)CC[C@@H](O)[C@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590100798 1349156688 /nfs/dbraw/zinc/15/66/88/1349156688.db2.gz ZBQRDUREOSNQLS-DGCLKSJQSA-N -1 1 332.364 2.126 20 5 EEBDMM C[C@H]1COC2(CCCC2)CN1c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590323416 1349263631 /nfs/dbraw/zinc/26/36/31/1349263631.db2.gz HPGKDCXMANELCO-NSHDSACASA-N -1 1 344.375 2.313 20 5 EEBDMM C[C@H]1COC2(CCCC2)CN1c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590323416 1349263636 /nfs/dbraw/zinc/26/36/36/1349263636.db2.gz HPGKDCXMANELCO-NSHDSACASA-N -1 1 344.375 2.313 20 5 EEBDMM CCOC(OCC)[C@H](C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590784457 1349399706 /nfs/dbraw/zinc/39/97/06/1349399706.db2.gz ASYDJCSVAGHNHV-ZETCQYMHSA-N -1 1 342.381 2.036 20 5 EEBDMM CCOC(OCC)[C@H](C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590784457 1349399709 /nfs/dbraw/zinc/39/97/09/1349399709.db2.gz ASYDJCSVAGHNHV-ZETCQYMHSA-N -1 1 342.381 2.036 20 5 EEBDMM CCc1nc(NCc2cccc([N+](=O)[O-])c2C)cc(-c2nnn[n-]2)n1 ZINC001590922523 1349412471 /nfs/dbraw/zinc/41/24/71/1349412471.db2.gz DGXXLUOVGRHEBZ-UHFFFAOYSA-N -1 1 340.347 2.048 20 5 EEBDMM CCc1nc(NCc2cccc([N+](=O)[O-])c2C)cc(-c2nn[n-]n2)n1 ZINC001590922523 1349412478 /nfs/dbraw/zinc/41/24/78/1349412478.db2.gz DGXXLUOVGRHEBZ-UHFFFAOYSA-N -1 1 340.347 2.048 20 5 EEBDMM O=Cc1cc(Cl)cc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001593416548 1349798618 /nfs/dbraw/zinc/79/86/18/1349798618.db2.gz TXEOPJBKEDHCGR-UHFFFAOYSA-N -1 1 346.690 2.428 20 5 EEBDMM O=Cc1cc(Cl)cc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001593416548 1349798621 /nfs/dbraw/zinc/79/86/21/1349798621.db2.gz TXEOPJBKEDHCGR-UHFFFAOYSA-N -1 1 346.690 2.428 20 5 EEBDMM O=[N+]([O-])c1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1-c1nn[n-]n1 ZINC001593473415 1349808612 /nfs/dbraw/zinc/80/86/12/1349808612.db2.gz BEPMLGAGLXHZIR-YUTCNCBUSA-N -1 1 342.359 2.144 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CC[C@@H](c3ccccn3)C2)cc1-c1nnn[n-]1 ZINC001593475946 1349809716 /nfs/dbraw/zinc/80/97/16/1349809716.db2.gz HBMSSOOVTGEHHY-LLVKDONJSA-N -1 1 337.343 2.164 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CC[C@@H](c3ccccn3)C2)cc1-c1nn[n-]n1 ZINC001593475946 1349809722 /nfs/dbraw/zinc/80/97/22/1349809722.db2.gz HBMSSOOVTGEHHY-LLVKDONJSA-N -1 1 337.343 2.164 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@@H](c2ccncc2)C1 ZINC001593487750 1349816560 /nfs/dbraw/zinc/81/65/60/1349816560.db2.gz KNTVEEVILMVKME-SNVBAGLBSA-N -1 1 343.372 2.225 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@@H](c2ccncc2)C1 ZINC001593487750 1349816563 /nfs/dbraw/zinc/81/65/63/1349816563.db2.gz KNTVEEVILMVKME-SNVBAGLBSA-N -1 1 343.372 2.225 20 5 EEBDMM CC(C)CON=c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001603302826 1350683418 /nfs/dbraw/zinc/68/34/18/1350683418.db2.gz IEOXSDLXJSTEGJ-UHFFFAOYSA-N -1 1 329.320 2.323 20 5 EEBDMM CC1(C)CC[C@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)OC1 ZINC001603773296 1350764143 /nfs/dbraw/zinc/76/41/43/1350764143.db2.gz YCUMTBWSLZKYBC-LLVKDONJSA-N -1 1 332.364 2.392 20 5 EEBDMM CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC001604111763 1350862070 /nfs/dbraw/zinc/86/20/70/1350862070.db2.gz KAQMNASCESGTGW-JQWIXIFHSA-N -1 1 332.364 2.087 20 5 EEBDMM CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC001604111763 1350862072 /nfs/dbraw/zinc/86/20/72/1350862072.db2.gz KAQMNASCESGTGW-JQWIXIFHSA-N -1 1 332.364 2.087 20 5 EEBDMM COc1ccc([N+](=O)[O-])cc1OC(=O)c1sccc1-c1nn[n-]n1 ZINC001605307894 1351132084 /nfs/dbraw/zinc/13/20/84/1351132084.db2.gz OUOIMZSYGZZQDP-UHFFFAOYSA-N -1 1 347.312 2.064 20 5 EEBDMM Cc1cc(NCC[C@@H]2CCCC[C@@H]2O)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605735341 1351219658 /nfs/dbraw/zinc/21/96/58/1351219658.db2.gz BDORENGNBRRADG-FZMZJTMJSA-N -1 1 346.391 2.436 20 5 EEBDMM Cc1cc(NCC[C@@H]2CCCC[C@@H]2O)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605735341 1351219661 /nfs/dbraw/zinc/21/96/61/1351219661.db2.gz BDORENGNBRRADG-FZMZJTMJSA-N -1 1 346.391 2.436 20 5 EEBDMM Nc1cc(NCCCc2ccccc2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606451078 1351304458 /nfs/dbraw/zinc/30/44/58/1351304458.db2.gz KECJYFMCLRNBEV-UHFFFAOYSA-N -1 1 339.359 2.402 20 5 EEBDMM Nc1cc(NCCCc2ccccc2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606451078 1351304462 /nfs/dbraw/zinc/30/44/62/1351304462.db2.gz KECJYFMCLRNBEV-UHFFFAOYSA-N -1 1 339.359 2.402 20 5 EEBDMM O=[N+]([O-])c1c(NC[C@H](O)C2CCCCC2)cccc1-c1nnn[n-]1 ZINC001607078214 1351407766 /nfs/dbraw/zinc/40/77/66/1351407766.db2.gz OTBIRXXIJDEILP-ZDUSSCGKSA-N -1 1 332.364 2.128 20 5 EEBDMM O=[N+]([O-])c1c(NC[C@H](O)C2CCCCC2)cccc1-c1nn[n-]n1 ZINC001607078214 1351407767 /nfs/dbraw/zinc/40/77/67/1351407767.db2.gz OTBIRXXIJDEILP-ZDUSSCGKSA-N -1 1 332.364 2.128 20 5 EEBDMM O=[N+]([O-])c1cc(NCCCOCC(F)(F)F)ccc1-c1nn[n-]n1 ZINC001607080290 1351409460 /nfs/dbraw/zinc/40/94/60/1351409460.db2.gz SJXNDRKVBKYEBL-UHFFFAOYSA-N -1 1 346.269 2.156 20 5 EEBDMM O=[N+]([O-])c1ccc(NC[C@@H]2CC[C@H](C3CC3)O2)cc1-c1nnn[n-]1 ZINC001607081792 1351410234 /nfs/dbraw/zinc/41/02/34/1351410234.db2.gz HDVZCAPDFISNRO-SMDDNHRTSA-N -1 1 330.348 2.144 20 5 EEBDMM O=[N+]([O-])c1ccc(NC[C@@H]2CC[C@H](C3CC3)O2)cc1-c1nn[n-]n1 ZINC001607081792 1351410235 /nfs/dbraw/zinc/41/02/35/1351410235.db2.gz HDVZCAPDFISNRO-SMDDNHRTSA-N -1 1 330.348 2.144 20 5 EEBDMM Cc1noc(C)c1CCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592458125 1404694800 /nfs/dbraw/zinc/69/48/00/1404694800.db2.gz HZEGMZPROIUQNW-UHFFFAOYSA-N -1 1 343.347 2.424 20 5 EEBDMM Cc1noc(C)c1CCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592458125 1404694815 /nfs/dbraw/zinc/69/48/15/1404694815.db2.gz HZEGMZPROIUQNW-UHFFFAOYSA-N -1 1 343.347 2.424 20 5 EEBDMM O=C([O-])c1ccc2c(c1)CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000846274880 790111881 /nfs/dbraw/zinc/11/18/81/790111881.db2.gz ZDEUXEOWIOTZPS-KRWDZBQOSA-N -1 1 342.351 2.385 20 5 EEBDMM CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C(=O)[O-])C1 ZINC000902036626 980707449 /nfs/dbraw/zinc/70/74/49/980707449.db2.gz XCAGJYDPCIFQOQ-DGCLKSJQSA-N -1 1 328.752 2.312 20 5 EEBDMM O=C([O-])Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000072295204 216133000 /nfs/dbraw/zinc/13/30/00/216133000.db2.gz AQPQXYICDRCVGL-UHFFFAOYSA-N -1 1 336.325 2.023 20 5 EEBDMM O=C(N[C@H]1CCCN(c2ccccc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193588044 240224728 /nfs/dbraw/zinc/22/47/28/240224728.db2.gz YRBVWBBAOHLTSK-ZDUSSCGKSA-N -1 1 342.355 2.094 20 5 EEBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000225737864 242012987 /nfs/dbraw/zinc/01/29/87/242012987.db2.gz GMCIYYGEWPGDFV-UHFFFAOYSA-N -1 1 346.295 2.348 20 5 EEBDMM CCC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(C)(C)C ZINC000451786952 243260231 /nfs/dbraw/zinc/26/02/31/243260231.db2.gz XIMLYPOGCBNJJZ-LLVKDONJSA-N -1 1 332.426 2.304 20 5 EEBDMM O=C(Nc1cc(F)ccc1[O-])c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000340329044 284283039 /nfs/dbraw/zinc/28/30/39/284283039.db2.gz FAAVWNQDWRPURL-UHFFFAOYSA-N -1 1 334.259 2.463 20 5 EEBDMM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000271270164 256227562 /nfs/dbraw/zinc/22/75/62/256227562.db2.gz NGMDQMVRAMZDTI-VHSXEESVSA-N -1 1 348.808 2.342 20 5 EEBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccon1 ZINC000342357828 161059082 /nfs/dbraw/zinc/05/90/82/161059082.db2.gz IMWOJNWHDSKIFT-SSDOTTSWSA-N -1 1 331.737 2.276 20 5 EEBDMM Cn1ccnc1COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000343307159 161122787 /nfs/dbraw/zinc/12/27/87/161122787.db2.gz RMPDIQORWWBXDW-UHFFFAOYSA-N -1 1 341.327 2.488 20 5 EEBDMM CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000345022772 161264770 /nfs/dbraw/zinc/26/47/70/161264770.db2.gz DMQJZKIGRSJUFU-LKFCYVNXSA-N -1 1 349.318 2.341 20 5 EEBDMM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000352528066 162173023 /nfs/dbraw/zinc/17/30/23/162173023.db2.gz IXADNZKGKJJPHQ-QMMMGPOBSA-N -1 1 343.311 2.308 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])n1 ZINC000360619568 164352715 /nfs/dbraw/zinc/35/27/15/164352715.db2.gz LSZAETMJBHQASX-WOPDTQHZSA-N -1 1 344.437 2.162 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](Oc2ccccc2)C1 ZINC000368651960 166098634 /nfs/dbraw/zinc/09/86/34/166098634.db2.gz IZWOVOVEIDYJMK-AWEZNQCLSA-N -1 1 343.339 2.379 20 5 EEBDMM Cc1noc(C(C)(C)[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC000284917873 274644833 /nfs/dbraw/zinc/64/48/33/274644833.db2.gz OJTISUQSCMXNFT-UHFFFAOYSA-N -1 1 340.286 2.430 20 5 EEBDMM Cc1ccc2c(c1)CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CCO2 ZINC000288246699 275038722 /nfs/dbraw/zinc/03/87/22/275038722.db2.gz FXELGZLWYZSAJT-UHFFFAOYSA-N -1 1 329.312 2.039 20 5 EEBDMM CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445137486 315346839 /nfs/dbraw/zinc/34/68/39/315346839.db2.gz RJMGFFBZKZXZBB-XPTSAGLGSA-N -1 1 349.318 2.341 20 5 EEBDMM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000531142519 317773430 /nfs/dbraw/zinc/77/34/30/317773430.db2.gz RTDXBBPDHOJWKD-QWRGUYRKSA-N -1 1 345.446 2.332 20 5 EEBDMM O=C(NCc1cc(-c2ccccc2)no1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000339192193 465133168 /nfs/dbraw/zinc/13/31/68/465133168.db2.gz ACTSCKSZRWAFAM-UHFFFAOYSA-N -1 1 340.295 2.280 20 5 EEBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000093133841 463011258 /nfs/dbraw/zinc/01/12/58/463011258.db2.gz YOKBBWAZCRTCPB-GFCCVEGCSA-N -1 1 343.387 2.218 20 5 EEBDMM CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cccs1 ZINC000025385481 463123486 /nfs/dbraw/zinc/12/34/86/463123486.db2.gz NXNSVPBPJZUGGJ-LBPRGKRZSA-N -1 1 335.385 2.395 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000171208247 463814664 /nfs/dbraw/zinc/81/46/64/463814664.db2.gz MPQDTYRFSXRIOW-AWEZNQCLSA-N -1 1 347.302 2.048 20 5 EEBDMM COCCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000281218345 464374871 /nfs/dbraw/zinc/37/48/71/464374871.db2.gz QYERQICQLLDEAG-UHFFFAOYSA-N -1 1 340.760 2.092 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@H]1CCO ZINC000188911594 464394465 /nfs/dbraw/zinc/39/44/65/464394465.db2.gz ZVTXHIJZJHEFGC-ONGXEEELSA-N -1 1 348.808 2.078 20 5 EEBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000272027405 464452572 /nfs/dbraw/zinc/45/25/72/464452572.db2.gz ITEQSVXTSGZBJF-SKDRFNHKSA-N -1 1 348.808 2.484 20 5 EEBDMM CCc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000281533593 464494092 /nfs/dbraw/zinc/49/40/92/464494092.db2.gz RIZGONAGXBMWNI-UHFFFAOYSA-N -1 1 339.373 2.241 20 5 EEBDMM CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1(C)C ZINC000412896742 467141925 /nfs/dbraw/zinc/14/19/25/467141925.db2.gz IALMRCKTPPPSCU-NWDGAFQWSA-N -1 1 337.376 2.407 20 5 EEBDMM O=C(Nc1cccc(-c2cn[nH]n2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000442674878 467577042 /nfs/dbraw/zinc/57/70/42/467577042.db2.gz ZVNKISXLCOSOIJ-UHFFFAOYSA-N -1 1 325.284 2.338 20 5 EEBDMM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1c[nH]nc1[N+](=O)[O-] ZINC000548944202 468161131 /nfs/dbraw/zinc/16/11/31/468161131.db2.gz JXAXQALKJJMWMB-UHFFFAOYSA-N -1 1 333.695 2.009 20 5 EEBDMM CC[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000610212274 469988382 /nfs/dbraw/zinc/98/83/82/469988382.db2.gz RTPYJTDBNGWINT-GFCCVEGCSA-N -1 1 335.385 2.462 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CSc2ccccc21 ZINC000610264868 469997131 /nfs/dbraw/zinc/99/71/31/469997131.db2.gz FDLXWDRCHSRKNZ-JTQLQIEISA-N -1 1 337.382 2.115 20 5 EEBDMM CCc1ccc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610264892 469997222 /nfs/dbraw/zinc/99/72/22/469997222.db2.gz KIJIDGGHCCSBNH-UHFFFAOYSA-N -1 1 335.385 2.073 20 5 EEBDMM Cc1ccc(OC[C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000770300383 577593631 /nfs/dbraw/zinc/59/36/31/577593631.db2.gz FZFRJSGVCPGIJW-LLVKDONJSA-N -1 1 331.328 2.201 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccncc1 ZINC000762633434 577705027 /nfs/dbraw/zinc/70/50/27/577705027.db2.gz PRHNDTACMNBNBR-UHFFFAOYSA-N -1 1 341.776 2.164 20 5 EEBDMM CCN1CCC[C@H](Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737113209 578238616 /nfs/dbraw/zinc/23/86/16/578238616.db2.gz CCJLVROZVLZGCI-VIFPVBQESA-N -1 1 338.320 2.097 20 5 EEBDMM Cc1nn(CN2CCC(CCC(=O)[O-])CC2)c2ncc([N+](=O)[O-])cc12 ZINC000833017105 601799321 /nfs/dbraw/zinc/79/93/21/601799321.db2.gz WTHWQHSWWGUQOE-UHFFFAOYSA-N -1 1 347.375 2.182 20 5 EEBDMM CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCS1 ZINC000824223756 607568733 /nfs/dbraw/zinc/56/87/33/607568733.db2.gz LPEQIGDUZMVMTP-CYBMUJFWSA-N -1 1 334.405 2.353 20 5 EEBDMM CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCS1 ZINC000824223756 607568734 /nfs/dbraw/zinc/56/87/34/607568734.db2.gz LPEQIGDUZMVMTP-CYBMUJFWSA-N -1 1 334.405 2.353 20 5 EEBDMM Cc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1[N+](=O)[O-] ZINC000822226302 606195103 /nfs/dbraw/zinc/19/51/03/606195103.db2.gz LSWLTPYVDOIGQU-UHFFFAOYSA-N -1 1 340.299 2.041 20 5 EEBDMM COc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)c([N+](=O)[O-])c1 ZINC000821838343 606490466 /nfs/dbraw/zinc/49/04/66/606490466.db2.gz LPNFCGJKWMPTEB-UHFFFAOYSA-N -1 1 347.312 2.064 20 5 EEBDMM COc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)c([N+](=O)[O-])c1 ZINC000821838343 606490467 /nfs/dbraw/zinc/49/04/67/606490467.db2.gz LPNFCGJKWMPTEB-UHFFFAOYSA-N -1 1 347.312 2.064 20 5 EEBDMM CCOc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1F ZINC000821421949 606701289 /nfs/dbraw/zinc/70/12/89/606701289.db2.gz ITGVAWZIVGWVNU-UHFFFAOYSA-N -1 1 345.294 2.451 20 5 EEBDMM CCOc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1F ZINC000821421949 606701290 /nfs/dbraw/zinc/70/12/90/606701290.db2.gz ITGVAWZIVGWVNU-UHFFFAOYSA-N -1 1 345.294 2.451 20 5 EEBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccc(O)c1 ZINC000820461198 606705951 /nfs/dbraw/zinc/70/59/51/606705951.db2.gz FVUYHNFTEWKQGU-QMMMGPOBSA-N -1 1 327.304 2.049 20 5 EEBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cccc(O)c1 ZINC000820461198 606705953 /nfs/dbraw/zinc/70/59/53/606705953.db2.gz FVUYHNFTEWKQGU-QMMMGPOBSA-N -1 1 327.304 2.049 20 5 EEBDMM O=[N+]([O-])c1c([N-]c2cnn(C[C@@H]3CCCO3)c2)nc2ccccn21 ZINC000052428870 679158674 /nfs/dbraw/zinc/15/86/74/679158674.db2.gz FFRDDWBRIFJWJZ-LBPRGKRZSA-N -1 1 328.332 2.362 20 5 EEBDMM O=C([N-][C@@H](CO)CC(F)(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778422854 1208251529 /nfs/dbraw/zinc/25/15/29/1208251529.db2.gz OCDGYMXPSREECG-MRVPVSSYSA-N -1 1 342.220 2.116 20 5 EEBDMM COc1ccccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000047670860 1208421159 /nfs/dbraw/zinc/42/11/59/1208421159.db2.gz KOAIWEIPYWFUIG-UHFFFAOYSA-N -1 1 340.332 2.221 20 5 EEBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cccc(C(F)(F)F)n2)no1 ZINC001212894199 1214392029 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CC(C)CO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001589640157 1349014461 /nfs/dbraw/zinc/01/44/61/1349014461.db2.gz BKPLNQTYTMXTDN-GFCCVEGCSA-N -1 1 332.364 2.026 20 5 EEBDMM CC1(C)[C@H](CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1(F)F ZINC001590075930 1349139646 /nfs/dbraw/zinc/13/96/46/1349139646.db2.gz FVPASLBFYWZYMF-VIFPVBQESA-N -1 1 339.306 2.060 20 5 EEBDMM CC1(C)[C@H](CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1(F)F ZINC001590075930 1349139650 /nfs/dbraw/zinc/13/96/50/1349139650.db2.gz FVPASLBFYWZYMF-VIFPVBQESA-N -1 1 339.306 2.060 20 5 EEBDMM CC1(C)CC[C@@H](O)[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001590099943 1349154263 /nfs/dbraw/zinc/15/42/63/1349154263.db2.gz MQUWGTPJVZRDCC-RKDXNWHRSA-N -1 1 338.393 2.188 20 5 EEBDMM CC1(C)CC[C@@H](O)[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001590099943 1349154269 /nfs/dbraw/zinc/15/42/69/1349154269.db2.gz MQUWGTPJVZRDCC-RKDXNWHRSA-N -1 1 338.393 2.188 20 5 EEBDMM Cc1nsc(N2CCc3ccc([N+](=O)[O-])cc3C2)c1-c1nn[n-]n1 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339.287 2.122 20 5 EEBDMM O=C([O-])[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC001601676202 1350335542 /nfs/dbraw/zinc/33/55/42/1350335542.db2.gz IYZZTHCJNSJFIV-MRXNPFEDSA-N -1 1 328.324 2.445 20 5 EEBDMM O=C([O-])c1cccc2c1CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC001602456813 1350523458 /nfs/dbraw/zinc/52/34/58/1350523458.db2.gz FGCQLENGZKFMTI-KRWDZBQOSA-N -1 1 342.351 2.385 20 5 EEBDMM C[C@@]1(CCNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1(F)F ZINC001603800048 1350770745 /nfs/dbraw/zinc/77/07/45/1350770745.db2.gz GTGDFAPLHXNSEW-GFCCVEGCSA-N -1 1 339.306 2.204 20 5 EEBDMM C[C@@]1(CCNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1(F)F ZINC001603800048 1350770747 /nfs/dbraw/zinc/77/07/47/1350770747.db2.gz GTGDFAPLHXNSEW-GFCCVEGCSA-N -1 1 339.306 2.204 20 5 EEBDMM C[C@@H]1C[C@@H](CCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001603850932 1350783008 /nfs/dbraw/zinc/78/30/08/1350783008.db2.gz NJIPQRWVJBOIGF-MNOVXSKESA-N -1 1 332.364 2.392 20 5 EEBDMM C[C@@H]1C[C@@H](CCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001603850932 1350783010 /nfs/dbraw/zinc/78/30/10/1350783010.db2.gz NJIPQRWVJBOIGF-MNOVXSKESA-N -1 1 332.364 2.392 20 5 EEBDMM C/C=C/C[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001603965188 1350816258 /nfs/dbraw/zinc/81/62/58/1350816258.db2.gz USDYXILTAJVKGF-VUDBWIFFSA-N -1 1 329.364 2.353 20 5 EEBDMM C/C=C/C[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001603965188 1350816260 /nfs/dbraw/zinc/81/62/60/1350816260.db2.gz USDYXILTAJVKGF-VUDBWIFFSA-N -1 1 329.364 2.353 20 5 EEBDMM CC[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C1CCOCC1 ZINC001604063925 1350844248 /nfs/dbraw/zinc/84/42/48/1350844248.db2.gz NXIZWBMNARUSFR-VIFPVBQESA-N -1 1 338.393 2.454 20 5 EEBDMM CC[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C1CCOCC1 ZINC001604063925 1350844252 /nfs/dbraw/zinc/84/42/52/1350844252.db2.gz NXIZWBMNARUSFR-VIFPVBQESA-N -1 1 338.393 2.454 20 5 EEBDMM CCC[C@@H](C)[C@H](CO)Nc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604134239 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CC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000867014437 809826489 /nfs/dbraw/zinc/82/64/89/809826489.db2.gz DKNAKCPMRIYPGA-AAEUAGOBSA-N -1 1 346.380 2.278 20 5 EEBDMM COc1c(O)ccc(CN[C@H](C(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC001594047786 957949399 /nfs/dbraw/zinc/94/93/99/957949399.db2.gz FXNMWFOQWMJZNB-ZDUSSCGKSA-N -1 1 332.312 2.225 20 5 EEBDMM COc1ccc(CNCc2cc(C(=O)[O-])c(C)n2C)cc1[N+](=O)[O-] ZINC001599573150 998398761 /nfs/dbraw/zinc/39/87/61/998398761.db2.gz QHYZWGVNQSMVLJ-UHFFFAOYSA-N -1 1 333.344 2.238 20 5 EEBDMM C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187195176 236143973 /nfs/dbraw/zinc/14/39/73/236143973.db2.gz SBHQSFRHUHSEGF-XPTSAGLGSA-N -1 1 349.318 2.077 20 5 EEBDMM COc1ccc(CCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193445889 240168893 /nfs/dbraw/zinc/16/88/93/240168893.db2.gz ANNGFHQXOAURQR-UHFFFAOYSA-N -1 1 331.328 2.067 20 5 EEBDMM CCC(CC)[C@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCO1 ZINC000193869957 240341021 /nfs/dbraw/zinc/34/10/21/240341021.db2.gz LJESMDGTTWQWLC-TZMCWYRMSA-N -1 1 337.376 2.409 20 5 EEBDMM C[C@@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000343998045 161188236 /nfs/dbraw/zinc/18/82/36/161188236.db2.gz YQJNBJOWVIHHAV-UFBFGSQYSA-N -1 1 334.781 2.094 20 5 EEBDMM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000346662130 161390124 /nfs/dbraw/zinc/39/01/24/161390124.db2.gz WOVDOSHOJXPLJI-SJCJKPOMSA-N -1 1 347.371 2.028 20 5 EEBDMM Cn1cnnc1Sc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000355289263 163134036 /nfs/dbraw/zinc/13/40/36/163134036.db2.gz VAIKIOUTYGWCOP-UHFFFAOYSA-N -1 1 344.356 2.455 20 5 EEBDMM CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Oc1ccccc1 ZINC000359091727 164056366 /nfs/dbraw/zinc/05/63/66/164056366.db2.gz FKQOJGLMDPSJQP-UHFFFAOYSA-N -1 1 331.328 2.283 20 5 EEBDMM CC(C)(C)CC[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000360531640 164330887 /nfs/dbraw/zinc/33/08/87/164330887.db2.gz YFBBYPBFHPCUFG-VIFPVBQESA-N -1 1 336.435 2.122 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CO)C1CCCC1 ZINC000289421166 275114924 /nfs/dbraw/zinc/11/49/24/275114924.db2.gz CDGQTPLKXGUCTD-LLVKDONJSA-N -1 1 348.808 2.078 20 5 EEBDMM CCCCCn1cc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)n1 ZINC000445129904 315346487 /nfs/dbraw/zinc/34/64/87/315346487.db2.gz AIJMPBNMHCESEU-UHFFFAOYSA-N -1 1 347.375 2.321 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCC[C@@H]1CCOC1 ZINC000452011862 315481365 /nfs/dbraw/zinc/48/13/65/315481365.db2.gz DMVYEELWTOWBDH-SNVBAGLBSA-N -1 1 348.808 2.343 20 5 EEBDMM Cc1ccccc1C1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000525689015 317067754 /nfs/dbraw/zinc/06/77/54/317067754.db2.gz WZQWYHGQRSIHNF-UHFFFAOYSA-N -1 1 347.396 2.308 20 5 EEBDMM CCOC(=O)c1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n[nH]1 ZINC000543761281 318173629 /nfs/dbraw/zinc/17/36/29/318173629.db2.gz JRCNHNZEHCHEHV-UHFFFAOYSA-N -1 1 343.299 2.228 20 5 EEBDMM CC(C)(C)n1ncnc1C[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000336927403 465105172 /nfs/dbraw/zinc/10/51/72/465105172.db2.gz WOXXKNGUXJLDOE-UHFFFAOYSA-N -1 1 343.347 2.603 20 5 EEBDMM O=C([O-])c1ccnc(NCCN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000578872261 468272220 /nfs/dbraw/zinc/27/22/20/468272220.db2.gz UNEUGSCHDRUKDP-UHFFFAOYSA-N -1 1 342.355 2.158 20 5 EEBDMM C[C@@H]1COc2ccccc2CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278023068 463937841 /nfs/dbraw/zinc/93/78/41/463937841.db2.gz JKALROXPZXTQFU-SNVBAGLBSA-N -1 1 329.312 2.119 20 5 EEBDMM C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000532881081 468148147 /nfs/dbraw/zinc/14/81/47/468148147.db2.gz HCOYOCLCFYKILQ-RYUDHWBXSA-N -1 1 335.360 2.109 20 5 EEBDMM C[C@@H](CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1)C(=O)[O-] ZINC000570809026 468696848 /nfs/dbraw/zinc/69/68/48/468696848.db2.gz GZOIPWLDHXZXEJ-JTQLQIEISA-N -1 1 346.343 2.330 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000598305812 468825929 /nfs/dbraw/zinc/82/59/29/468825929.db2.gz CINZSNCQMPAFLL-RISCZKNCSA-N -1 1 335.360 2.117 20 5 EEBDMM O=C([O-])C[C@@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000593290751 468930520 /nfs/dbraw/zinc/93/05/20/468930520.db2.gz OCDSQPGEURSMCH-LBPRGKRZSA-N -1 1 346.343 2.474 20 5 EEBDMM COc1cc(CN(C)[C@H](C)CC(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000573864411 469221070 /nfs/dbraw/zinc/22/10/70/469221070.db2.gz IXIYEULNVMGTAI-MRVPVSSYSA-N -1 1 348.302 2.500 20 5 EEBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(O)c1F ZINC000619467848 469617073 /nfs/dbraw/zinc/61/70/73/469617073.db2.gz JEEHRQCVHKMYOF-UHFFFAOYSA-N -1 1 342.304 2.249 20 5 EEBDMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618391260 469982633 /nfs/dbraw/zinc/98/26/33/469982633.db2.gz JOVNRVUHZFNXOZ-VXNVDRBHSA-N -1 1 333.266 2.498 20 5 EEBDMM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187111484 534726621 /nfs/dbraw/zinc/72/66/21/534726621.db2.gz JTVSBKVCEWLMMF-AWEZNQCLSA-N -1 1 327.340 2.447 20 5 EEBDMM CC(C)c1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000154103723 528051795 /nfs/dbraw/zinc/05/17/95/528051795.db2.gz WAJMXDQDBMKAKF-UHFFFAOYSA-N -1 1 338.389 2.426 20 5 EEBDMM Cc1nonc1[N-]C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000727709771 576446993 /nfs/dbraw/zinc/44/69/93/576446993.db2.gz NBZJWSYQXZZRSM-UHFFFAOYSA-N -1 1 346.221 2.480 20 5 EEBDMM O=C([O-])[C@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000738538893 578018884 /nfs/dbraw/zinc/01/88/84/578018884.db2.gz XZOBCTHEBPGNTI-ZDUSSCGKSA-N -1 1 330.344 2.212 20 5 EEBDMM COc1cccc(CSc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737133133 578240055 /nfs/dbraw/zinc/24/00/55/578240055.db2.gz XXLZRTSYYXHBFR-UHFFFAOYSA-N -1 1 344.356 2.471 20 5 EEBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1nc(-c2ccc(F)cc2)ns1 ZINC000122250708 682648576 /nfs/dbraw/zinc/64/85/76/682648576.db2.gz GMVNADCWSFHQDA-UHFFFAOYSA-N -1 1 348.319 2.238 20 5 EEBDMM O=C([N-]n1cnc2ccccc2c1=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152537646 683347178 /nfs/dbraw/zinc/34/71/78/683347178.db2.gz MECWEMZOPONRTK-UHFFFAOYSA-N -1 1 344.714 2.342 20 5 EEBDMM Cc1nnc([C@H](C)[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000778322696 1208131824 /nfs/dbraw/zinc/13/18/24/1208131824.db2.gz CBXJBVABJFULTC-ZETCQYMHSA-N -1 1 326.259 2.255 20 5 EEBDMM O=C(OCCOc1cccc([N+](=O)[O-])c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074603 1236604286 /nfs/dbraw/zinc/60/42/86/1236604286.db2.gz GOLBVUWHJMTOET-UHFFFAOYSA-N -1 1 348.267 2.444 20 5 EEBDMM CSCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814979953 1278027245 /nfs/dbraw/zinc/02/72/45/1278027245.db2.gz XRCZRKRRJFMAJN-UHFFFAOYSA-N -1 1 328.774 2.029 20 5 EEBDMM O=C1C[C@H](Oc2cc3c(=O)c4c(O)cccc4oc3cc2[O-])CO1 ZINC001227306189 1301775036 /nfs/dbraw/zinc/77/50/36/1301775036.db2.gz HEPBSVUTYWGING-QMMMGPOBSA-N -1 1 328.276 2.052 20 5 EEBDMM C=CC(=O)OC[C@@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228859486 1302488139 /nfs/dbraw/zinc/48/81/39/1302488139.db2.gz KFBVIFWZEMOPED-ZCFIWIBFSA-N -1 1 336.222 2.211 20 5 EEBDMM COC(=O)C1CC(Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228863113 1302491642 /nfs/dbraw/zinc/49/16/42/1302491642.db2.gz SSXNNXFZZHLXKD-UHFFFAOYSA-N -1 1 336.222 2.045 20 5 EEBDMM O=C1OC[C@H](COc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)O1 ZINC001234743933 1305017189 /nfs/dbraw/zinc/01/71/89/1305017189.db2.gz HPDALYNIUMPKCJ-JTQLQIEISA-N -1 1 344.275 2.272 20 5 EEBDMM C[C@](O)(CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1cccs1 ZINC001609127814 1351853961 /nfs/dbraw/zinc/85/39/61/1351853961.db2.gz XLPWPQITAJOHJV-AWEZNQCLSA-N -1 1 346.372 2.156 20 5 EEBDMM CCn1ccc(CN(C)c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001609258287 1351913259 /nfs/dbraw/zinc/91/32/59/1351913259.db2.gz ARNJJFCHMPLCDI-UHFFFAOYSA-N -1 1 327.348 2.233 20 5 EEBDMM CCn1ccc(CN(C)c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001609258287 1351913261 /nfs/dbraw/zinc/91/32/61/1351913261.db2.gz ARNJJFCHMPLCDI-UHFFFAOYSA-N -1 1 327.348 2.233 20 5 EEBDMM C[C@@H]1CCSCCN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001609865878 1352106213 /nfs/dbraw/zinc/10/62/13/1352106213.db2.gz RDBJPIIXHFXTCL-LLVKDONJSA-N -1 1 340.401 2.386 20 5 EEBDMM CCC(C)(C)OC1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590376408 1349290390 /nfs/dbraw/zinc/29/03/90/1349290390.db2.gz AIRWCPIVRSMBET-UHFFFAOYSA-N -1 1 332.364 2.169 20 5 EEBDMM CCC(C)(C)OC1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590376408 1349290397 /nfs/dbraw/zinc/29/03/97/1349290397.db2.gz AIRWCPIVRSMBET-UHFFFAOYSA-N -1 1 332.364 2.169 20 5 EEBDMM CC[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])[C@H](O)C(C)C ZINC001590471307 1349345953 /nfs/dbraw/zinc/34/59/53/1349345953.db2.gz BMVYOJYLCFMVDG-OIBJUYFYSA-N -1 1 326.382 2.044 20 5 EEBDMM CC[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])[C@H](O)C(C)C ZINC001590471307 1349345960 /nfs/dbraw/zinc/34/59/60/1349345960.db2.gz BMVYOJYLCFMVDG-OIBJUYFYSA-N -1 1 326.382 2.044 20 5 EEBDMM Nc1cc(NCC(C2CC2)C2CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759699 1349713912 /nfs/dbraw/zinc/71/39/12/1349713912.db2.gz HLJTVHMOZUJQAL-UHFFFAOYSA-N -1 1 329.364 2.205 20 5 EEBDMM Nc1cc(NCC(C2CC2)C2CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759699 1349713916 /nfs/dbraw/zinc/71/39/16/1349713916.db2.gz HLJTVHMOZUJQAL-UHFFFAOYSA-N -1 1 329.364 2.205 20 5 EEBDMM O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)n1 ZINC001593308991 1349777618 /nfs/dbraw/zinc/77/76/18/1349777618.db2.gz NKBIGWRPWBABRF-UHFFFAOYSA-N -1 1 346.690 2.043 20 5 EEBDMM O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)n1 ZINC001593308991 1349777622 /nfs/dbraw/zinc/77/76/22/1349777622.db2.gz NKBIGWRPWBABRF-UHFFFAOYSA-N -1 1 346.690 2.043 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@H](c2cccnc2)C1 ZINC001593465813 1349803982 /nfs/dbraw/zinc/80/39/82/1349803982.db2.gz AJOHZKATVYAROQ-LBPRGKRZSA-N -1 1 337.343 2.164 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[C@H](c2cccnc2)C1 ZINC001593465813 1349803993 /nfs/dbraw/zinc/80/39/93/1349803993.db2.gz AJOHZKATVYAROQ-LBPRGKRZSA-N -1 1 337.343 2.164 20 5 EEBDMM O=C([O-])c1cc(C(=O)NCc2ccc3nc[nH]c3c2)cc([N+](=O)[O-])c1 ZINC001602247371 1350475786 /nfs/dbraw/zinc/47/57/86/1350475786.db2.gz KDTSNILJQFIDIY-UHFFFAOYSA-N -1 1 340.295 2.099 20 5 EEBDMM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC001602274633 1350483439 /nfs/dbraw/zinc/48/34/39/1350483439.db2.gz VITOMINBSDFNEO-UHFFFAOYSA-N -1 1 340.288 2.233 20 5 EEBDMM CC(C)OCCCN(C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603353527 1350693136 /nfs/dbraw/zinc/69/31/36/1350693136.db2.gz AZYSGSGEYVJZFB-UHFFFAOYSA-N -1 1 326.382 2.088 20 5 EEBDMM CC(C)OCCCN(C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603353527 1350693138 /nfs/dbraw/zinc/69/31/38/1350693138.db2.gz AZYSGSGEYVJZFB-UHFFFAOYSA-N -1 1 326.382 2.088 20 5 EEBDMM CCOC1CC2(C[C@H]2Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001604411966 1350932742 /nfs/dbraw/zinc/93/27/42/1350932742.db2.gz IUAWNCHVLRDMSL-YAKODHLKSA-N -1 1 330.348 2.144 20 5 EEBDMM CCOC1CC2(C[C@H]2Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001604411966 1350932743 /nfs/dbraw/zinc/93/27/43/1350932743.db2.gz IUAWNCHVLRDMSL-YAKODHLKSA-N -1 1 330.348 2.144 20 5 EEBDMM CN(C)c1cncc(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1 ZINC001604704197 1350988196 /nfs/dbraw/zinc/98/81/96/1350988196.db2.gz XLCHAOHVJIXTMJ-UHFFFAOYSA-N -1 1 332.349 2.041 20 5 EEBDMM CN(C)c1cncc(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c1 ZINC001604704197 1350988199 /nfs/dbraw/zinc/98/81/99/1350988199.db2.gz XLCHAOHVJIXTMJ-UHFFFAOYSA-N -1 1 332.349 2.041 20 5 EEBDMM Nc1cc(NC[C@H]2CCC(F)(F)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606451085 1351304389 /nfs/dbraw/zinc/30/43/89/1351304389.db2.gz KGEIMRARTXUSTI-ZETCQYMHSA-N -1 1 339.306 2.204 20 5 EEBDMM Nc1cc(NC[C@H]2CCC(F)(F)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606451085 1351304393 /nfs/dbraw/zinc/30/43/93/1351304393.db2.gz KGEIMRARTXUSTI-ZETCQYMHSA-N -1 1 339.306 2.204 20 5 EEBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(N)=O)c1C ZINC000032602412 1352382740 /nfs/dbraw/zinc/38/27/40/1352382740.db2.gz BTWOQWMZTOYNIT-UHFFFAOYSA-N -1 1 349.368 2.111 20 5 EEBDMM O=C(CC[C@H]1CCCCO1)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000837581696 1372792705 /nfs/dbraw/zinc/79/27/05/1372792705.db2.gz BFYZXBVZWJZNIA-OAHLLOKOSA-N -1 1 337.328 2.376 20 5 EEBDMM C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ncc(C(=O)[O-])s1 ZINC001593246484 994452970 /nfs/dbraw/zinc/45/29/70/994452970.db2.gz MCAIMZFLJOIETO-GZMMTYOYSA-N -1 1 337.357 2.134 20 5 EEBDMM COc1ccc(CN[C@@](C)(CC(=O)[O-])c2ccncc2)cc1[N+](=O)[O-] ZINC001599570814 998362055 /nfs/dbraw/zinc/36/20/55/998362055.db2.gz CLHWIHSEKIBKBH-KRWDZBQOSA-N -1 1 345.355 2.478 20 5 EEBDMM CC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038039575 213195909 /nfs/dbraw/zinc/19/59/09/213195909.db2.gz AKBUMZUUOZBLJM-SSDOTTSWSA-N -1 1 337.195 2.434 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)CCC=C(C)C)c([N+](=O)[O-])n1 ZINC000451741698 243238046 /nfs/dbraw/zinc/23/80/46/243238046.db2.gz PLEUKEFRKPHPPA-LLVKDONJSA-N -1 1 330.410 2.224 20 5 EEBDMM COc1ccc([C@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1 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ZINC001603379325 1350698513 /nfs/dbraw/zinc/69/85/13/1350698513.db2.gz QRNMXNMIOUKYSQ-UHFFFAOYSA-N -1 1 346.372 2.189 20 5 EEBDMM Cc1c(NC(=O)c2ccsc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001605500210 1351172242 /nfs/dbraw/zinc/17/22/42/1351172242.db2.gz OTSKSZMNHRAJBY-UHFFFAOYSA-N -1 1 330.329 2.397 20 5 EEBDMM Cc1c(NC(=O)c2ccsc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001605500210 1351172245 /nfs/dbraw/zinc/17/22/45/1351172245.db2.gz OTSKSZMNHRAJBY-UHFFFAOYSA-N -1 1 330.329 2.397 20 5 EEBDMM Nc1cc(NCCC[C@H]2CCCCO2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606450906 1351304470 /nfs/dbraw/zinc/30/44/70/1351304470.db2.gz GOMPXCOFQKQVAQ-LLVKDONJSA-N -1 1 347.379 2.118 20 5 EEBDMM Nc1cc(NCCC[C@H]2CCCCO2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606450906 1351304475 /nfs/dbraw/zinc/30/44/75/1351304475.db2.gz GOMPXCOFQKQVAQ-LLVKDONJSA-N -1 1 347.379 2.118 20 5 EEBDMM O=C1CCCC12CCN(c1cccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC001607044944 1351403936 /nfs/dbraw/zinc/40/39/36/1351403936.db2.gz PDTRXRNTHOCUCC-UHFFFAOYSA-N -1 1 342.359 2.115 20 5 EEBDMM O=C1CCCC12CCN(c1cccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC001607044944 1351403938 /nfs/dbraw/zinc/40/39/38/1351403938.db2.gz PDTRXRNTHOCUCC-UHFFFAOYSA-N -1 1 342.359 2.115 20 5 EEBDMM Cc1ccc([N+](=O)[O-])c(C)c1CN1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001607825170 1351566138 /nfs/dbraw/zinc/56/61/38/1351566138.db2.gz RANQFTSUPXTZSE-UHFFFAOYSA-N -1 1 330.344 2.232 20 5 EEBDMM Cc1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)o2)cc1[N+](=O)[O-] ZINC001592136194 1404003012 /nfs/dbraw/zinc/00/30/12/1404003012.db2.gz WKLIVCZUOUXZIR-VIFPVBQESA-N -1 1 342.315 2.167 20 5 EEBDMM Cc1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)o2)cc1[N+](=O)[O-] ZINC001592136194 1404003018 /nfs/dbraw/zinc/00/30/18/1404003018.db2.gz WKLIVCZUOUXZIR-VIFPVBQESA-N -1 1 342.315 2.167 20 5 EEBDMM CC(C)(C)C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000819907108 785711902 /nfs/dbraw/zinc/71/19/02/785711902.db2.gz MHNQYKAJMDOBBS-UHFFFAOYSA-N -1 1 331.380 2.432 20 5 EEBDMM CC(C)(C)C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000819907108 785711906 /nfs/dbraw/zinc/71/19/06/785711906.db2.gz MHNQYKAJMDOBBS-UHFFFAOYSA-N -1 1 331.380 2.432 20 5 EEBDMM C[C@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C(=O)[O-] ZINC001589355251 954127737 /nfs/dbraw/zinc/12/77/37/954127737.db2.gz HSAKWKWGVRBPDT-JQWIXIFHSA-N -1 1 346.343 2.187 20 5 EEBDMM C[C@@](Cn1cccn1)(NCc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001592924172 979930369 /nfs/dbraw/zinc/93/03/69/979930369.db2.gz VBRGIJHZRSXVMT-AWEZNQCLSA-N -1 1 338.751 2.078 20 5 EEBDMM CC(=O)c1ccc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000447379442 242271213 /nfs/dbraw/zinc/27/12/13/242271213.db2.gz HIJYOFIQPITDNZ-UHFFFAOYSA-N -1 1 341.283 2.428 20 5 EEBDMM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000116459678 284144052 /nfs/dbraw/zinc/14/40/52/284144052.db2.gz NZINSUPEHGMHNI-PRHODGIISA-N -1 1 335.266 2.260 20 5 EEBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1O ZINC000346485629 161376083 /nfs/dbraw/zinc/37/60/83/161376083.db2.gz HUTASEHCOOCZFT-UHFFFAOYSA-N -1 1 342.304 2.254 20 5 EEBDMM O=C(Nc1cc(F)cc(N2CCOCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000299463884 294748854 /nfs/dbraw/zinc/74/88/54/294748854.db2.gz CXTAFBATMIOHHN-UHFFFAOYSA-N -1 1 334.307 2.151 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C1CC1 ZINC000525188799 317044548 /nfs/dbraw/zinc/04/45/48/317044548.db2.gz RUVHJTDSFXQKMO-CQSZACIVSA-N -1 1 347.396 2.289 20 5 EEBDMM CCCC[C@H](CCC)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000339046802 465049893 /nfs/dbraw/zinc/04/98/93/465049893.db2.gz ANQUSIQCHDGSMN-NSHDSACASA-N -1 1 332.426 2.448 20 5 EEBDMM O=C(c1cc(F)ccc1[O-])N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000081942328 463506306 /nfs/dbraw/zinc/50/63/06/463506306.db2.gz UFGVMVACPYHWSI-UHFFFAOYSA-N -1 1 345.330 2.402 20 5 EEBDMM CCCCCc1nnc([N-]C(=O)c2ccnc(N)c2[N+](=O)[O-])s1 ZINC000547727769 468419637 /nfs/dbraw/zinc/41/96/37/468419637.db2.gz PRZTUXFKHOYYQN-UHFFFAOYSA-N -1 1 336.377 2.409 20 5 EEBDMM CN(C)c1nc2ccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc2[nH]1 ZINC000338920104 466485453 /nfs/dbraw/zinc/48/54/53/466485453.db2.gz PXVOEMNBVJUVFZ-UHFFFAOYSA-N -1 1 341.327 2.495 20 5 EEBDMM O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436751377 467553247 /nfs/dbraw/zinc/55/32/47/467553247.db2.gz LGPLLWYQARMVEO-AWEZNQCLSA-N -1 1 341.367 2.305 20 5 EEBDMM COCC1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000569826063 468549620 /nfs/dbraw/zinc/54/96/20/468549620.db2.gz PKURFZUQKHRHBL-UHFFFAOYSA-N -1 1 348.808 2.486 20 5 EEBDMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000571083990 468737379 /nfs/dbraw/zinc/73/73/79/468737379.db2.gz YLHHKXLSSIYLHI-JQWIXIFHSA-N -1 1 346.343 2.330 20 5 EEBDMM CCc1cc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])on1 ZINC000562313883 468935103 /nfs/dbraw/zinc/93/51/03/468935103.db2.gz ABXUWOZPUWQMFD-UHFFFAOYSA-N -1 1 339.373 2.241 20 5 EEBDMM COc1ccc2c(c1)CCCN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000609136090 469894544 /nfs/dbraw/zinc/89/45/44/469894544.db2.gz LGDSBHAHKQNVSE-UHFFFAOYSA-N -1 1 343.339 2.293 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(O)cc1 ZINC000618359550 469975373 /nfs/dbraw/zinc/97/53/73/469975373.db2.gz IRTPZFYPBJAATE-ZDUSSCGKSA-N -1 1 329.312 2.378 20 5 EEBDMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])CC2 ZINC000610262786 469996471 /nfs/dbraw/zinc/99/64/71/469996471.db2.gz LNEKVORCVZTJPB-ZDUSSCGKSA-N -1 1 333.369 2.264 20 5 EEBDMM O=C(NCCCOCCc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186982729 534846125 /nfs/dbraw/zinc/84/61/25/534846125.db2.gz GRKAPJWJSKFFSR-UHFFFAOYSA-N -1 1 345.355 2.075 20 5 EEBDMM C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000759794183 577650425 /nfs/dbraw/zinc/65/04/25/577650425.db2.gz OJODYSUQEBGURY-NXEZZACHSA-N -1 1 348.808 2.342 20 5 EEBDMM Cc1ccc(OC[C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000742830616 577877047 /nfs/dbraw/zinc/87/70/47/577877047.db2.gz RSVKSDJAMDSIKN-LLVKDONJSA-N -1 1 331.328 2.201 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000823620971 607384323 /nfs/dbraw/zinc/38/43/23/607384323.db2.gz UXXZEJGRZVDKNZ-IACUBPJLSA-N -1 1 349.354 2.310 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000823620971 607384325 /nfs/dbraw/zinc/38/43/25/607384325.db2.gz UXXZEJGRZVDKNZ-IACUBPJLSA-N -1 1 349.354 2.310 20 5 EEBDMM CC(C)c1[nH]nc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC000827097586 604905257 /nfs/dbraw/zinc/90/52/57/604905257.db2.gz RRQYNGXQKSSLAB-ZDUSSCGKSA-N -1 1 346.343 2.339 20 5 EEBDMM Cc1c(NC(=O)c2ccc(-c3nnn[n-]3)s2)cccc1[N+](=O)[O-] ZINC000822109288 606495223 /nfs/dbraw/zinc/49/52/23/606495223.db2.gz PEDLRXGBYSFREE-UHFFFAOYSA-N -1 1 330.329 2.397 20 5 EEBDMM Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)s2)cccc1[N+](=O)[O-] ZINC000822109288 606495224 /nfs/dbraw/zinc/49/52/24/606495224.db2.gz PEDLRXGBYSFREE-UHFFFAOYSA-N -1 1 330.329 2.397 20 5 EEBDMM CC(=O)c1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C)c1 ZINC000819833595 606705988 /nfs/dbraw/zinc/70/59/88/606705988.db2.gz IGNXSDRTGOYZIO-UHFFFAOYSA-N -1 1 340.299 2.473 20 5 EEBDMM CC(=O)c1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(C)c1 ZINC000819833595 606705991 /nfs/dbraw/zinc/70/59/91/606705991.db2.gz IGNXSDRTGOYZIO-UHFFFAOYSA-N -1 1 340.299 2.473 20 5 EEBDMM Cc1cc(C)cc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822196312 606712232 /nfs/dbraw/zinc/71/22/32/606712232.db2.gz DSQIDNWMSYLRJO-UHFFFAOYSA-N -1 1 339.359 2.441 20 5 EEBDMM Cc1cc(C)cc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000822196312 606712233 /nfs/dbraw/zinc/71/22/33/606712233.db2.gz DSQIDNWMSYLRJO-UHFFFAOYSA-N -1 1 339.359 2.441 20 5 EEBDMM O=[N+]([O-])c1cccc(OCCOc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826499421 607866455 /nfs/dbraw/zinc/86/64/55/607866455.db2.gz ICFCCYWQFYEUSA-UHFFFAOYSA-N -1 1 345.290 2.372 20 5 EEBDMM O=[N+]([O-])c1cccc(OCCOc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826499421 607866456 /nfs/dbraw/zinc/86/64/56/607866456.db2.gz ICFCCYWQFYEUSA-UHFFFAOYSA-N -1 1 345.290 2.372 20 5 EEBDMM CC(C)(C)[C@@H]1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC000824077350 608149324 /nfs/dbraw/zinc/14/93/24/608149324.db2.gz ATGSIBXHFLHJQT-KOLCDFICSA-N -1 1 347.379 2.176 20 5 EEBDMM CC(C)(C)[C@@H]1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC000824077350 608149325 /nfs/dbraw/zinc/14/93/25/608149325.db2.gz ATGSIBXHFLHJQT-KOLCDFICSA-N -1 1 347.379 2.176 20 5 EEBDMM COc1cc(F)cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120231518 674796616 /nfs/dbraw/zinc/79/66/16/674796616.db2.gz SXBZWIRJUDNQMY-UHFFFAOYSA-N -1 1 346.361 2.283 20 5 EEBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc(C(F)(F)F)cn2)no1 ZINC001212893342 1214379401 /nfs/dbraw/zinc/37/94/01/1214379401.db2.gz ZAZUROHXDNFKTI-UHFFFAOYSA-N -1 1 326.194 2.449 20 5 EEBDMM O=C(O[C@@H]1CCN(c2ccccc2)C1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780070607 1236287926 /nfs/dbraw/zinc/28/79/26/1236287926.db2.gz ZZUBFCNOTWUCNS-OAHLLOKOSA-N -1 1 342.307 2.263 20 5 EEBDMM O=C(OCc1nc(CC(F)(F)F)no1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780073629 1236385606 /nfs/dbraw/zinc/38/56/06/1236385606.db2.gz CFFNCUDILSUTHP-UHFFFAOYSA-N -1 1 347.205 2.145 20 5 EEBDMM Nc1ccc(S(=O)(=O)N(c2cc([O-])cc([N+](=O)[O-])c2)C2CC2)cc1 ZINC001201230068 1289363506 /nfs/dbraw/zinc/36/35/06/1289363506.db2.gz WQDMBQYAZNAXCF-UHFFFAOYSA-N -1 1 349.368 2.240 20 5 EEBDMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001234600691 1304980969 /nfs/dbraw/zinc/98/09/69/1304980969.db2.gz FCUGOKPPTXFQBP-NSHDSACASA-N -1 1 348.286 2.167 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cccc(C(F)F)c1 ZINC001116687947 1305910882 /nfs/dbraw/zinc/91/08/82/1305910882.db2.gz DOLQGDRYVUPQFJ-UHFFFAOYSA-N -1 1 343.311 2.406 20 5 EEBDMM CNC(=O)c1ccc2c(c1)nc(-c1cc([O-])cc([N+](=O)[O-])c1)n2C ZINC001251389400 1317455117 /nfs/dbraw/zinc/45/51/17/1317455117.db2.gz JXOGPARFHUJJJR-UHFFFAOYSA-N -1 1 326.312 2.214 20 5 EEBDMM COc1cc(C(=O)OCC(=O)c2ccc([O-])cc2O)ccc1[N+](=O)[O-] ZINC001321368267 1333086877 /nfs/dbraw/zinc/08/68/77/1333086877.db2.gz DFSJWOTWDRPQGQ-UHFFFAOYSA-N -1 1 347.279 2.054 20 5 EEBDMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])[nH]n1 ZINC001327459201 1334296235 /nfs/dbraw/zinc/29/62/35/1334296235.db2.gz BQGHTQWXNYDUCL-UHFFFAOYSA-N -1 1 330.391 2.478 20 5 EEBDMM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001609907062 1352116642 /nfs/dbraw/zinc/11/66/42/1352116642.db2.gz YRRMHXCPVISULW-SNVBAGLBSA-N -1 1 346.343 2.310 20 5 EEBDMM C=C/C=C\CCn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001588530537 1348913627 /nfs/dbraw/zinc/91/36/27/1348913627.db2.gz OJJFNDWKLWYEBW-ARJAWSKDSA-N -1 1 338.327 2.222 20 5 EEBDMM CC(C)(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C[C@H]1O ZINC001589104142 1348959403 /nfs/dbraw/zinc/95/94/03/1348959403.db2.gz AOFSNBVNZWHDTI-GXTWGEPZSA-N -1 1 346.391 2.008 20 5 EEBDMM CC(C)[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001589475411 1348992833 /nfs/dbraw/zinc/99/28/33/1348992833.db2.gz GVXHEMYKKDXVFV-CQSZACIVSA-N -1 1 342.363 2.318 20 5 EEBDMM CC(C)[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001589475411 1348992836 /nfs/dbraw/zinc/99/28/36/1348992836.db2.gz GVXHEMYKKDXVFV-CQSZACIVSA-N -1 1 342.363 2.318 20 5 EEBDMM C[C@@H](CCO)C1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCC1 ZINC001589833712 1349052315 /nfs/dbraw/zinc/05/23/15/1349052315.db2.gz SJWZMBCXGRUVHC-NSHDSACASA-N -1 1 346.391 2.376 20 5 EEBDMM C[C@@H](CCO)C1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCC1 ZINC001589833712 1349052320 /nfs/dbraw/zinc/05/23/20/1349052320.db2.gz SJWZMBCXGRUVHC-NSHDSACASA-N -1 1 346.391 2.376 20 5 EEBDMM CO[C@@H]1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1(C)C ZINC001591359336 1349472058 /nfs/dbraw/zinc/47/20/58/1349472058.db2.gz VTOQAPQVNSYUCH-GFCCVEGCSA-N -1 1 332.364 2.026 20 5 EEBDMM CO[C@@H]1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1(C)C ZINC001591359336 1349472061 /nfs/dbraw/zinc/47/20/61/1349472061.db2.gz VTOQAPQVNSYUCH-GFCCVEGCSA-N -1 1 332.364 2.026 20 5 EEBDMM Cc1cnccc1CCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592300957 1349618721 /nfs/dbraw/zinc/61/87/21/1349618721.db2.gz QVPHGXPRBYYTRX-UHFFFAOYSA-N -1 1 325.332 2.133 20 5 EEBDMM Cc1cnccc1CCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592300957 1349618723 /nfs/dbraw/zinc/61/87/23/1349618723.db2.gz QVPHGXPRBYYTRX-UHFFFAOYSA-N -1 1 325.332 2.133 20 5 EEBDMM Cc1nc(C)c(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])s1 ZINC001592357289 1349624301 /nfs/dbraw/zinc/62/43/01/1349624301.db2.gz IYRXDVQOLDDKKZ-UHFFFAOYSA-N -1 1 331.361 2.460 20 5 EEBDMM Cc1nc(C)c(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])s1 ZINC001592357289 1349624306 /nfs/dbraw/zinc/62/43/06/1349624306.db2.gz IYRXDVQOLDDKKZ-UHFFFAOYSA-N -1 1 331.361 2.460 20 5 EEBDMM O=[N+]([O-])c1cccc2c1CCN2Cc1ccc(-c2nn[n-]n2)s1 ZINC001593485350 1349814906 /nfs/dbraw/zinc/81/49/06/1349814906.db2.gz OCPFUTXABDGXKN-UHFFFAOYSA-N -1 1 328.357 2.399 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCc1noc2c1CCCC2 ZINC001593489071 1349817215 /nfs/dbraw/zinc/81/72/15/1349817215.db2.gz URKFYWSYFWWINN-UHFFFAOYSA-N -1 1 347.360 2.315 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCc1noc2c1CCCC2 ZINC001593489071 1349817219 /nfs/dbraw/zinc/81/72/19/1349817219.db2.gz URKFYWSYFWWINN-UHFFFAOYSA-N -1 1 347.360 2.315 20 5 EEBDMM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC001600909288 1350165450 /nfs/dbraw/zinc/16/54/50/1350165450.db2.gz SHCSOEHCYKZYJF-CYBMUJFWSA-N -1 1 347.375 2.055 20 5 EEBDMM O=C([O-])CCOc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC001602026822 1350421002 /nfs/dbraw/zinc/42/10/02/1350421002.db2.gz BQUMNTZBOVYRIB-UHFFFAOYSA-N -1 1 346.295 2.406 20 5 EEBDMM CC(C)CC[C@@](C)(O)CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603277109 1350678212 /nfs/dbraw/zinc/67/82/12/1350678212.db2.gz FCKRPDVKAALOGP-CYBMUJFWSA-N -1 1 340.409 2.436 20 5 EEBDMM CC(C)CC[C@@](C)(O)CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603277109 1350678216 /nfs/dbraw/zinc/67/82/16/1350678216.db2.gz FCKRPDVKAALOGP-CYBMUJFWSA-N -1 1 340.409 2.436 20 5 EEBDMM CCO[C@H](CCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(C)C ZINC001604404080 1350930292 /nfs/dbraw/zinc/93/02/92/1350930292.db2.gz DXOYLTNRUOGOTR-CYBMUJFWSA-N -1 1 349.395 2.220 20 5 EEBDMM CCO[C@H](CCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(C)C ZINC001604404080 1350930294 /nfs/dbraw/zinc/93/02/94/1350930294.db2.gz DXOYLTNRUOGOTR-CYBMUJFWSA-N -1 1 349.395 2.220 20 5 EEBDMM C[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC001605440889 1351158973 /nfs/dbraw/zinc/15/89/73/1351158973.db2.gz WOAQECRBQSEOKX-QMMMGPOBSA-N -1 1 344.356 2.327 20 5 EEBDMM Cc1ccccc1[C@@H](O)CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001605935370 1351256140 /nfs/dbraw/zinc/25/61/40/1351256140.db2.gz QFLNVLZYVDCMAI-HNNXBMFYSA-N -1 1 340.343 2.229 20 5 EEBDMM Cc1ccccc1[C@@H](O)CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001605935370 1351256144 /nfs/dbraw/zinc/25/61/44/1351256144.db2.gz QFLNVLZYVDCMAI-HNNXBMFYSA-N -1 1 340.343 2.229 20 5 EEBDMM O=[N+]([O-])c1cnc(Sc2ccc3c(c2)CCO3)c(-c2nn[n-]n2)c1 ZINC001607085768 1351411886 /nfs/dbraw/zinc/41/18/86/1351411886.db2.gz NDWXKLGUSHVLKK-UHFFFAOYSA-N -1 1 342.340 2.256 20 5 EEBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000157884836 790058267 /nfs/dbraw/zinc/05/82/67/790058267.db2.gz KZABJPUDLMLDQY-PWSUYJOCSA-N -1 1 348.808 2.484 20 5 EEBDMM CCN(CCNc1ccc(F)cc1[N+](=O)[O-])C(=O)c1ncccc1[O-] ZINC001106727295 796296891 /nfs/dbraw/zinc/29/68/91/796296891.db2.gz MVHIMSFGLNYARZ-UHFFFAOYSA-N -1 1 348.334 2.409 20 5 EEBDMM COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2N)cc1[N+](=O)[O-] ZINC001176366385 798442053 /nfs/dbraw/zinc/44/20/53/798442053.db2.gz RKJRMWABDVJCMF-UHFFFAOYSA-N -1 1 341.320 2.126 20 5 EEBDMM O=C1[C@H]([N-]c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CN1c1ccccc1 ZINC000804606874 810957547 /nfs/dbraw/zinc/95/75/47/810957547.db2.gz DCBOQWMGZUPWKP-LLVKDONJSA-N -1 1 328.284 2.330 20 5 EEBDMM O=[N+]([O-])c1ccc([C@@H](O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826498315 948413562 /nfs/dbraw/zinc/41/35/62/948413562.db2.gz PIIRBSYOHPFFLG-LBPRGKRZSA-N -1 1 345.290 2.026 20 5 EEBDMM O=[N+]([O-])c1ccc([C@@H](O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826498315 948413565 /nfs/dbraw/zinc/41/35/65/948413565.db2.gz PIIRBSYOHPFFLG-LBPRGKRZSA-N -1 1 345.290 2.026 20 5 EEBDMM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H](c2ccccc2)CO1 ZINC000185767681 290788695 /nfs/dbraw/zinc/78/86/95/290788695.db2.gz CCPKWCBIWDBLKM-NHYWBVRUSA-N -1 1 343.339 2.298 20 5 EEBDMM O=C([O-])c1sccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000035185174 213013534 /nfs/dbraw/zinc/01/35/34/213013534.db2.gz PYIHKNKIURKPLO-UHFFFAOYSA-N -1 1 328.327 2.155 20 5 EEBDMM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCN(C2CCCCC2)CC1 ZINC000119251643 221276707 /nfs/dbraw/zinc/27/67/07/221276707.db2.gz CXECYVNCSVFKDE-UHFFFAOYSA-N -1 1 333.388 2.391 20 5 EEBDMM CCC[C@@H](NC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000184843341 160019152 /nfs/dbraw/zinc/01/91/52/160019152.db2.gz DLUHAPPJCSJVCM-GXTWGEPZSA-N -1 1 346.391 2.334 20 5 EEBDMM O=C(NCCc1cc2ccccc2o1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187116674 160092799 /nfs/dbraw/zinc/09/27/99/160092799.db2.gz RTDSZMHMEKPJRE-UHFFFAOYSA-N -1 1 327.296 2.414 20 5 EEBDMM Cc1cc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)n[nH]1 ZINC000274833422 269060828 /nfs/dbraw/zinc/06/08/28/269060828.db2.gz SJFLQWDBKKBPMV-UHFFFAOYSA-N -1 1 330.344 2.352 20 5 EEBDMM CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(F)cc1 ZINC000159304534 289287660 /nfs/dbraw/zinc/28/76/60/289287660.db2.gz VUPQPQNJYHLGLX-HNNXBMFYSA-N -1 1 347.346 2.472 20 5 EEBDMM Cc1cc(C2CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000332478245 312013256 /nfs/dbraw/zinc/01/32/56/312013256.db2.gz VOIGGGSLPGYTCY-UHFFFAOYSA-N -1 1 330.344 2.352 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000416627777 313278553 /nfs/dbraw/zinc/27/85/53/313278553.db2.gz FNWWQIVMWJLYJG-WDEREUQCSA-N -1 1 344.437 2.304 20 5 EEBDMM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425296746 314375206 /nfs/dbraw/zinc/37/52/06/314375206.db2.gz HBXXSIDHUZUQAV-NSHDSACASA-N -1 1 346.343 2.320 20 5 EEBDMM CC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C1CCCC1 ZINC000451991974 315476108 /nfs/dbraw/zinc/47/61/08/315476108.db2.gz GGHRWSZTENNYAU-NSHDSACASA-N -1 1 330.410 2.058 20 5 EEBDMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000566222083 319261427 /nfs/dbraw/zinc/26/14/27/319261427.db2.gz SFNGVSRAWMXULQ-PWSUYJOCSA-N -1 1 346.343 2.330 20 5 EEBDMM CCOc1cc(CN2CCSC[C@@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000574763281 320055439 /nfs/dbraw/zinc/05/54/39/320055439.db2.gz PZAVMWQOJFPLQY-LBPRGKRZSA-N -1 1 340.401 2.386 20 5 EEBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1CCC[C@H](C)C1 ZINC000577706885 320270595 /nfs/dbraw/zinc/27/05/95/320270595.db2.gz NHMXCGGZDQUANX-SDDRHHMPSA-N -1 1 327.406 2.483 20 5 EEBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cccnc3)[nH]n2)c1 ZINC000153419602 462649054 /nfs/dbraw/zinc/64/90/54/462649054.db2.gz GIHFNTYMONZERJ-UHFFFAOYSA-N -1 1 345.340 2.181 20 5 EEBDMM CC(C)Oc1ccc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000031292786 463333115 /nfs/dbraw/zinc/33/31/15/463333115.db2.gz UTCDNHUBKVZATB-UHFFFAOYSA-N -1 1 345.355 2.043 20 5 EEBDMM Cc1c(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)cccc1[N+](=O)[O-] ZINC000162555146 463519783 /nfs/dbraw/zinc/51/97/83/463519783.db2.gz CBKCZCKLIABPBQ-UHFFFAOYSA-N -1 1 329.238 2.221 20 5 EEBDMM CC(C)c1ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000190706044 464705565 /nfs/dbraw/zinc/70/55/65/464705565.db2.gz ITCAMFOVLWASIV-SNVBAGLBSA-N -1 1 332.364 2.107 20 5 EEBDMM CCOC(=O)C(C)(C)O[N-]C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000295791632 464966862 /nfs/dbraw/zinc/96/68/62/464966862.db2.gz ZCEAOJPXNKEMEV-UHFFFAOYSA-N -1 1 349.343 2.008 20 5 EEBDMM CC(C)(C)Oc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cn1 ZINC000353579160 465991746 /nfs/dbraw/zinc/99/17/46/465991746.db2.gz KMXNORJOJCCTMN-UHFFFAOYSA-N -1 1 346.343 2.198 20 5 EEBDMM COCCN(C[C@@H]1CC=CCC1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361436161 465995344 /nfs/dbraw/zinc/99/53/44/465995344.db2.gz ZBCASWSVHFHYTH-GFCCVEGCSA-N -1 1 335.360 2.140 20 5 EEBDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000354014592 466328468 /nfs/dbraw/zinc/32/84/68/466328468.db2.gz NGVCJFBJPFFVME-UHFFFAOYSA-N -1 1 334.357 2.051 20 5 EEBDMM Cc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c([O-])c1C ZINC000436607600 467546864 /nfs/dbraw/zinc/54/68/64/467546864.db2.gz SQDNQCBTPKQTFI-UHFFFAOYSA-N -1 1 326.312 3.046 20 5 EEBDMM O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000489850283 468170831 /nfs/dbraw/zinc/17/08/31/468170831.db2.gz NDHUOOSMAVLDSD-IUODEOHRSA-N -1 1 343.339 2.203 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC=C(c2ccccn2)C1 ZINC000590399676 468246924 /nfs/dbraw/zinc/24/69/24/468246924.db2.gz MNRNJBJBVPIXHD-UHFFFAOYSA-N -1 1 326.312 2.020 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC=C(c2cccnc2)C1 ZINC000556884836 468596147 /nfs/dbraw/zinc/59/61/47/468596147.db2.gz QVDLGJOETBMCNT-UHFFFAOYSA-N -1 1 326.312 2.020 20 5 EEBDMM O=C(N[C@@H]1CCCc2cn[nH]c21)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000571803993 468840839 /nfs/dbraw/zinc/84/08/39/468840839.db2.gz CCSXKYLRGWPMCE-SNVBAGLBSA-N -1 1 336.735 2.484 20 5 EEBDMM O=C(N[C@H]1CCCc2cn[nH]c21)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000571803992 468840847 /nfs/dbraw/zinc/84/08/47/468840847.db2.gz CCSXKYLRGWPMCE-JTQLQIEISA-N -1 1 336.735 2.484 20 5 EEBDMM O=C(NCc1c(F)c(F)cc(F)c1F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000610638960 469024466 /nfs/dbraw/zinc/02/44/66/469024466.db2.gz UGTXWNWCAYUYRA-UHFFFAOYSA-N -1 1 345.208 2.182 20 5 EEBDMM O=C([O-])CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CC1 ZINC000593743655 469119981 /nfs/dbraw/zinc/11/99/81/469119981.db2.gz HCUDGWROUDDOED-UHFFFAOYSA-N -1 1 346.343 2.332 20 5 EEBDMM COc1cc(CN(C)[C@@H](C)CC(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000573864412 469221600 /nfs/dbraw/zinc/22/16/00/469221600.db2.gz IXIYEULNVMGTAI-QMMMGPOBSA-N -1 1 348.302 2.500 20 5 EEBDMM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc2N(C)C1=O ZINC000610208908 469987648 /nfs/dbraw/zinc/98/76/48/469987648.db2.gz DFNKXLYHNMVABJ-JTQLQIEISA-N -1 1 328.328 2.182 20 5 EEBDMM C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769049656 577568117 /nfs/dbraw/zinc/56/81/17/577568117.db2.gz PZNKNVGRMYTLFB-HZMBPMFUSA-N -1 1 336.344 2.152 20 5 EEBDMM Cc1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc(C)c1O ZINC000822200922 606700178 /nfs/dbraw/zinc/70/01/78/606700178.db2.gz ITTFSHDKFHAUAL-UHFFFAOYSA-N -1 1 341.331 2.104 20 5 EEBDMM Cc1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc(C)c1O ZINC000822200922 606700180 /nfs/dbraw/zinc/70/01/80/606700180.db2.gz ITTFSHDKFHAUAL-UHFFFAOYSA-N -1 1 341.331 2.104 20 5 EEBDMM C[C@@H](Cc1ccccc1F)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820301123 606700814 /nfs/dbraw/zinc/70/08/14/606700814.db2.gz VEHDEQHTDDDMQT-VIFPVBQESA-N -1 1 343.322 2.352 20 5 EEBDMM C[C@@H](Cc1ccccc1F)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820301123 606700816 /nfs/dbraw/zinc/70/08/16/606700816.db2.gz VEHDEQHTDDDMQT-VIFPVBQESA-N -1 1 343.322 2.352 20 5 EEBDMM Cc1n[n-]cc1S(=O)(=O)Oc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000796208476 1215515156 /nfs/dbraw/zinc/51/51/56/1215515156.db2.gz OQTKQPJFCDNIIY-UHFFFAOYSA-N -1 1 335.700 2.187 20 5 EEBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000780069746 1236233195 /nfs/dbraw/zinc/23/31/95/1236233195.db2.gz SOBZQVNNMPRRPB-UHFFFAOYSA-N -1 1 346.251 2.248 20 5 EEBDMM Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)c2ncccc2[O-])c1 ZINC001101561234 1245964001 /nfs/dbraw/zinc/96/40/01/1245964001.db2.gz QOSXTUNEGGXDPH-UHFFFAOYSA-N -1 1 330.344 2.188 20 5 EEBDMM O=C(N[C@H]1C[C@H](CNc2ccccc2[N+](=O)[O-])C1)c1ncccc1[O-] ZINC001068475516 1251133270 /nfs/dbraw/zinc/13/32/70/1251133270.db2.gz CBHNETWEHRFCCL-HAQNSBGRSA-N -1 1 342.355 2.316 20 5 EEBDMM COC1([C@H](C)[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CCC1 ZINC000867406917 1289776342 /nfs/dbraw/zinc/77/63/42/1289776342.db2.gz XVVMNWHHQUKMPW-JTQLQIEISA-N -1 1 346.380 2.278 20 5 EEBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1N ZINC001211290577 1295801100 /nfs/dbraw/zinc/80/11/00/1295801100.db2.gz HERDCWQJILQFER-UHFFFAOYSA-N -1 1 325.321 2.425 20 5 EEBDMM CCCCOC[C@H](C)Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-] ZINC001226309798 1301347289 /nfs/dbraw/zinc/34/72/89/1301347289.db2.gz JENNTRIBGFUYOP-JTQLQIEISA-N -1 1 342.348 2.456 20 5 EEBDMM C[C@@H](COc1ccccc1)OCCCOc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228140095 1302121717 /nfs/dbraw/zinc/12/17/17/1302121717.db2.gz FTRSITOZCYXRIY-LBPRGKRZSA-N -1 1 349.343 2.343 20 5 EEBDMM O=C1OCC[C@H]1Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234744877 1305017954 /nfs/dbraw/zinc/01/79/54/1305017954.db2.gz PLDNMGYGLUCFCY-GFCCVEGCSA-N -1 1 328.276 2.052 20 5 EEBDMM C[C@H](CCO)C1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCC1 ZINC001609111004 1351847093 /nfs/dbraw/zinc/84/70/93/1351847093.db2.gz CUJKIPPKPVQGJE-LLVKDONJSA-N -1 1 346.391 2.376 20 5 EEBDMM C[C@H](CCO)C1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCC1 ZINC001609111004 1351847099 /nfs/dbraw/zinc/84/70/99/1351847099.db2.gz CUJKIPPKPVQGJE-LLVKDONJSA-N -1 1 346.391 2.376 20 5 EEBDMM C[C@@H](CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)CC(F)(F)F ZINC001609114011 1351849596 /nfs/dbraw/zinc/84/95/96/1351849596.db2.gz QPHNLKHGDBOIJD-ZCFIWIBFSA-N -1 1 345.285 2.358 20 5 EEBDMM C[C@@H](CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)CC(F)(F)F ZINC001609114011 1351849599 /nfs/dbraw/zinc/84/95/99/1351849599.db2.gz QPHNLKHGDBOIJD-ZCFIWIBFSA-N -1 1 345.285 2.358 20 5 EEBDMM CCc1cnc(CN(C)c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)s1 ZINC001609253611 1351910467 /nfs/dbraw/zinc/91/04/67/1351910467.db2.gz AXGVDDONQZHGKB-UHFFFAOYSA-N -1 1 345.388 2.430 20 5 EEBDMM CN(c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C1Cc2ccccc2C1 ZINC001609281688 1351921269 /nfs/dbraw/zinc/92/12/69/1351921269.db2.gz XTWBGUQKTFFJSH-UHFFFAOYSA-N -1 1 336.355 2.379 20 5 EEBDMM COC[C@@H]1CCCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001609319522 1351932281 /nfs/dbraw/zinc/93/22/81/1351932281.db2.gz FIWHZWIHFVEFBF-LLVKDONJSA-N -1 1 332.364 2.028 20 5 EEBDMM COCCC1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCC1 ZINC001609322537 1351933059 /nfs/dbraw/zinc/93/30/59/1351933059.db2.gz XGBKAPKXYGCTLP-UHFFFAOYSA-N -1 1 332.364 2.394 20 5 EEBDMM COCCC1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCC1 ZINC001609322537 1351933062 /nfs/dbraw/zinc/93/30/62/1351933062.db2.gz XGBKAPKXYGCTLP-UHFFFAOYSA-N -1 1 332.364 2.394 20 5 EEBDMM COCC(C)(C)CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609316099 1351930556 /nfs/dbraw/zinc/93/05/56/1351930556.db2.gz FFQRAMZLFSIYHP-UHFFFAOYSA-N -1 1 335.368 2.035 20 5 EEBDMM COCC(C)(C)CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609316099 1351930558 /nfs/dbraw/zinc/93/05/58/1351930558.db2.gz FFQRAMZLFSIYHP-UHFFFAOYSA-N -1 1 335.368 2.035 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC[C@@]2(CCCOC2)C1 ZINC001609599734 1352030175 /nfs/dbraw/zinc/03/01/75/1352030175.db2.gz YFXGLPJWIACQGG-MRXNPFEDSA-N -1 1 344.375 2.172 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC[C@@]2(CCCOC2)C1 ZINC001609599734 1352030179 /nfs/dbraw/zinc/03/01/79/1352030179.db2.gz YFXGLPJWIACQGG-MRXNPFEDSA-N -1 1 344.375 2.172 20 5 EEBDMM COc1cc(CN2CC[C@@H](C)C[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001610296155 1352201492 /nfs/dbraw/zinc/20/14/92/1352201492.db2.gz UMHJFHGBNQSMND-NOZJJQNGSA-N -1 1 326.324 2.428 20 5 EEBDMM CC(C)(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCO1 ZINC001589105107 1348960904 /nfs/dbraw/zinc/96/09/04/1348960904.db2.gz PHAGLRICUAZVET-AWEZNQCLSA-N -1 1 346.391 2.416 20 5 EEBDMM CC(C)OC(=O)CC[C@@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589803392 1349048216 /nfs/dbraw/zinc/04/82/16/1349048216.db2.gz PXUHOOGDTCTVNK-SNVBAGLBSA-N -1 1 348.363 2.307 20 5 EEBDMM C[C@]1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO[C@@H]1C1CC1 ZINC001590136656 1349171142 /nfs/dbraw/zinc/17/11/42/1349171142.db2.gz XATKZWNGTZZCMA-GDBMZVCRSA-N -1 1 344.375 2.392 20 5 EEBDMM C[C@]1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO[C@@H]1C1CC1 ZINC001590136656 1349171147 /nfs/dbraw/zinc/17/11/47/1349171147.db2.gz XATKZWNGTZZCMA-GDBMZVCRSA-N -1 1 344.375 2.392 20 5 EEBDMM C[C@@H]1CC2(CN1c1ccc([N+](=O)[O-])c(-c3nnn[n-]3)c1)CCOCC2 ZINC001590224842 1349210599 /nfs/dbraw/zinc/21/05/99/1349210599.db2.gz ZAPGJGXWLHQMJT-LLVKDONJSA-N -1 1 344.375 2.170 20 5 EEBDMM C[C@@H]1CC2(CN1c1ccc([N+](=O)[O-])c(-c3nn[n-]n3)c1)CCOCC2 ZINC001590224842 1349210605 /nfs/dbraw/zinc/21/06/05/1349210605.db2.gz ZAPGJGXWLHQMJT-LLVKDONJSA-N -1 1 344.375 2.170 20 5 EEBDMM Cc1cccc([C@@H](O)CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1 ZINC001592224808 1349611682 /nfs/dbraw/zinc/61/16/82/1349611682.db2.gz XJKZTAGXZNGXMO-NSHDSACASA-N -1 1 346.372 2.290 20 5 EEBDMM Cc1cccc([C@@H](O)CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c1 ZINC001592224808 1349611688 /nfs/dbraw/zinc/61/16/88/1349611688.db2.gz XJKZTAGXZNGXMO-NSHDSACASA-N -1 1 346.372 2.290 20 5 EEBDMM Cn1cnc2cc(Nc3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])ccc21 ZINC001592587945 1349664160 /nfs/dbraw/zinc/66/41/60/1349664160.db2.gz AADCZJDBFVAUFY-UHFFFAOYSA-N -1 1 336.315 2.405 20 5 EEBDMM Cn1cc(CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c([N+](=O)[O-])n1 ZINC001600952998 1350175534 /nfs/dbraw/zinc/17/55/34/1350175534.db2.gz PQOAIRWYPBJRFS-ZDUSSCGKSA-N -1 1 332.360 2.270 20 5 EEBDMM CCO[C@@H](CCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(C)C ZINC001604404081 1350930109 /nfs/dbraw/zinc/93/01/09/1350930109.db2.gz DXOYLTNRUOGOTR-ZDUSSCGKSA-N -1 1 349.395 2.220 20 5 EEBDMM CCO[C@@H](CCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(C)C ZINC001604404081 1350930111 /nfs/dbraw/zinc/93/01/11/1350930111.db2.gz DXOYLTNRUOGOTR-ZDUSSCGKSA-N -1 1 349.395 2.220 20 5 EEBDMM CO[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C12CCC2 ZINC001605025471 1351059645 /nfs/dbraw/zinc/05/96/45/1351059645.db2.gz WZLZLLCAHVAUBK-STQMWFEESA-N -1 1 330.348 2.144 20 5 EEBDMM CO[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C12CCC2 ZINC001605025471 1351059649 /nfs/dbraw/zinc/05/96/49/1351059649.db2.gz WZLZLLCAHVAUBK-STQMWFEESA-N -1 1 330.348 2.144 20 5 EEBDMM COCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001606894548 1351371424 /nfs/dbraw/zinc/37/14/24/1351371424.db2.gz AKUGTMXERWYDIL-SECBINFHSA-N -1 1 343.767 2.079 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCC3(CCOCC3)CC2)cc1-c1nnn[n-]1 ZINC001607081386 1351409098 /nfs/dbraw/zinc/40/90/98/1351409098.db2.gz JIZJQQHVHMPJFO-UHFFFAOYSA-N -1 1 344.375 2.172 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCC3(CCOCC3)CC2)cc1-c1nn[n-]n1 ZINC001607081386 1351409099 /nfs/dbraw/zinc/40/90/99/1351409099.db2.gz JIZJQQHVHMPJFO-UHFFFAOYSA-N -1 1 344.375 2.172 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC[C@H]1COc2ccccc21 ZINC001607087982 1351413182 /nfs/dbraw/zinc/41/31/82/1351413182.db2.gz DKJOSXNFITUQGV-QMMMGPOBSA-N -1 1 344.356 2.425 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC[C@H]1COc2ccccc21 ZINC001607087982 1351413186 /nfs/dbraw/zinc/41/31/86/1351413186.db2.gz DKJOSXNFITUQGV-QMMMGPOBSA-N -1 1 344.356 2.425 20 5 EEBDMM CS[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815025912 1367795015 /nfs/dbraw/zinc/79/50/15/1367795015.db2.gz JRSNRDNSEGLJIT-ZCFIWIBFSA-N -1 1 342.801 2.417 20 5 EEBDMM Cc1ccc(C)c(C(=O)[C@H](C)n2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)c1 ZINC001592137310 1404004427 /nfs/dbraw/zinc/00/44/27/1404004427.db2.gz UUSADYGDLUOXMK-JTQLQIEISA-N -1 1 341.331 2.032 20 5 EEBDMM CC[C@]1(C(=O)[O-])CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001573822652 960976060 /nfs/dbraw/zinc/97/60/60/960976060.db2.gz PFLKOFABCMCCNC-SJCJKPOMSA-N -1 1 349.387 2.499 20 5 EEBDMM CCn1cc([C@@H](C)NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cn1 ZINC001597882049 989708536 /nfs/dbraw/zinc/70/85/36/989708536.db2.gz HUJNOQOGBDVUKV-LLVKDONJSA-N -1 1 348.359 2.125 20 5 EEBDMM Cc1c(C(=O)NCCc2n[n-]c(=S)n2C2CC2)cccc1[N+](=O)[O-] ZINC000067078873 159006855 /nfs/dbraw/zinc/00/68/55/159006855.db2.gz KDDAHHNAVZILAT-UHFFFAOYSA-N -1 1 347.400 2.465 20 5 EEBDMM CCS[C@H]1CC[C@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187191039 160095583 /nfs/dbraw/zinc/09/55/83/160095583.db2.gz NSIZEKNKGXJLMS-QWRGUYRKSA-N -1 1 325.390 2.442 20 5 EEBDMM COc1cc(C(=O)Nc2nc(C)ccc2[O-])c([N+](=O)[O-])cc1OC ZINC000345924347 161343048 /nfs/dbraw/zinc/34/30/48/161343048.db2.gz IOTXVZGSEPVBPR-UHFFFAOYSA-N -1 1 333.300 2.273 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1ccncc1 ZINC000355799114 163304851 /nfs/dbraw/zinc/30/48/51/163304851.db2.gz XKOPBYUOSADSSH-UHFFFAOYSA-N -1 1 341.776 2.164 20 5 EEBDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000360514496 164327447 /nfs/dbraw/zinc/32/74/47/164327447.db2.gz IVYRWFPKBHWQAA-UHFFFAOYSA-N -1 1 348.384 2.359 20 5 EEBDMM CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277951226 269201010 /nfs/dbraw/zinc/20/10/10/269201010.db2.gz CPASUAPDEHYEFV-XPTSAGLGSA-N -1 1 349.318 2.341 20 5 EEBDMM CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(F)cc1 ZINC000159304665 289363331 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EEBDMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000591302336 468442808 /nfs/dbraw/zinc/44/28/08/468442808.db2.gz DFVKBWXFWJDBRE-VIFPVBQESA-N -1 1 332.316 2.237 20 5 EEBDMM CN(C)c1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2[nH]1 ZINC000338921765 466487780 /nfs/dbraw/zinc/48/77/80/466487780.db2.gz UJTQWOSYHLKJCB-UHFFFAOYSA-N -1 1 341.327 2.495 20 5 EEBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000436501522 467541587 /nfs/dbraw/zinc/54/15/87/467541587.db2.gz ADRUZJCHGCKPRI-UHFFFAOYSA-N -1 1 334.259 2.478 20 5 EEBDMM COC(=O)c1cc(NC(=O)c2cc(F)ccc2[O-])cc([N+](=O)[O-])c1 ZINC000436525427 467543572 /nfs/dbraw/zinc/54/35/72/467543572.db2.gz AFZCNPXKLQVFGH-UHFFFAOYSA-N -1 1 334.259 2.478 20 5 EEBDMM CCC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000532855705 468146105 /nfs/dbraw/zinc/14/61/05/468146105.db2.gz YEXARQHTDHVPNM-RYUDHWBXSA-N -1 1 344.437 2.448 20 5 EEBDMM O=C(Nc1cc(Br)ccc1[O-])c1c[nH]nc1[N+](=O)[O-] ZINC000562399721 468951155 /nfs/dbraw/zinc/95/11/55/468951155.db2.gz VUCXFWUDXTXMKA-UHFFFAOYSA-N -1 1 327.094 2.038 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCO[C@@H](c2ccccc2)C1 ZINC000618374439 469978595 /nfs/dbraw/zinc/97/85/95/469978595.db2.gz UWTNBCPRRKCAMZ-OAHLLOKOSA-N -1 1 343.339 2.299 20 5 EEBDMM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618391258 469982662 /nfs/dbraw/zinc/98/26/62/469982662.db2.gz JOVNRVUHZFNXOZ-CBAPKCEASA-N -1 1 333.266 2.498 20 5 EEBDMM C[C@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000763405714 577720677 /nfs/dbraw/zinc/72/06/77/577720677.db2.gz RWQOUBWWPJXYIZ-VIFPVBQESA-N -1 1 348.277 2.310 20 5 EEBDMM COc1cc(C)cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000826178103 607730091 /nfs/dbraw/zinc/73/00/91/607730091.db2.gz JUKRWMVDSFPKKA-UHFFFAOYSA-N -1 1 341.331 2.099 20 5 EEBDMM COc1cc(C)cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000826178103 607730093 /nfs/dbraw/zinc/73/00/93/607730093.db2.gz JUKRWMVDSFPKKA-UHFFFAOYSA-N -1 1 341.331 2.099 20 5 EEBDMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc([N+](=O)[O-])c1 ZINC000820397158 606515056 /nfs/dbraw/zinc/51/50/56/606515056.db2.gz MKXVWWZKNHMZLD-MRVPVSSYSA-N -1 1 344.356 2.327 20 5 EEBDMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc([N+](=O)[O-])c1 ZINC000820397158 606515057 /nfs/dbraw/zinc/51/50/57/606515057.db2.gz MKXVWWZKNHMZLD-MRVPVSSYSA-N -1 1 344.356 2.327 20 5 EEBDMM Cc1cc(C)n(CCCNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)n1 ZINC000822198944 606644378 /nfs/dbraw/zinc/64/43/78/606644378.db2.gz PFZZCZKDBUINNH-UHFFFAOYSA-N -1 1 342.363 2.090 20 5 EEBDMM Cc1c(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000003444364 676698686 /nfs/dbraw/zinc/69/86/86/676698686.db2.gz QXULVYFNWWNEBD-UHFFFAOYSA-N -1 1 342.307 2.017 20 5 EEBDMM O=C(CSc1nccn1C1CC1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000914530622 683883316 /nfs/dbraw/zinc/88/33/16/683883316.db2.gz MULXVSGAWQQNRS-UHFFFAOYSA-N -1 1 346.368 2.175 20 5 EEBDMM Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)c1 ZINC001059613796 687402024 /nfs/dbraw/zinc/40/20/24/687402024.db2.gz MIPNJBMKZIRTPV-TXEJJXNPSA-N -1 1 342.355 2.377 20 5 EEBDMM COCCCCC[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000866672887 1201576244 /nfs/dbraw/zinc/57/62/44/1201576244.db2.gz SELIXPIXAXHASI-UHFFFAOYSA-N -1 1 334.369 2.137 20 5 EEBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCN1c1ccccc1 ZINC000890195131 1204806584 /nfs/dbraw/zinc/80/65/84/1204806584.db2.gz NEAOWAQTENEBMR-GFCCVEGCSA-N -1 1 342.355 2.046 20 5 EEBDMM Cc1c2cccc(-c3noc(-c4[n-]cnc4[N+](=O)[O-])n3)c2nn1C ZINC001212893050 1214378376 /nfs/dbraw/zinc/37/83/76/1214378376.db2.gz KFBBZVRQBAAWCZ-UHFFFAOYSA-N -1 1 325.288 2.230 20 5 EEBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cncc(C(F)(F)F)c2)no1 ZINC001212894328 1214393389 /nfs/dbraw/zinc/39/33/89/1214393389.db2.gz WEOLWWMFSKXRBD-UHFFFAOYSA-N -1 1 326.194 2.449 20 5 EEBDMM CCc1[nH]nc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])c1[N+](=O)[O-] ZINC000795612929 1214399565 /nfs/dbraw/zinc/39/95/65/1214399565.db2.gz SLKOYTKRBDYFAU-UHFFFAOYSA-N -1 1 347.327 2.188 20 5 EEBDMM O=c1c2ccc(O)c(OC[C@H]3C[C@H](O)C3)c2oc2cc([O-])cc(O)c12 ZINC001218429111 1297662422 /nfs/dbraw/zinc/66/24/22/1297662422.db2.gz GXFAZUJNDCKREU-KYZUINATSA-N -1 1 344.319 2.213 20 5 EEBDMM CN(CCNc1ccc([N+](=O)[O-])cc1F)C(=O)c1ncccc1[O-] ZINC001101561132 1299689068 /nfs/dbraw/zinc/68/90/68/1299689068.db2.gz KECQXBGZWZDDFC-UHFFFAOYSA-N -1 1 334.307 2.019 20 5 EEBDMM O=c1nc2ccc([N+](=O)[O-])cc2c(OC2CCN(CCF)CC2)[n-]1 ZINC001227096859 1301685553 /nfs/dbraw/zinc/68/55/53/1301685553.db2.gz UBXSGTBLUFZVKM-UHFFFAOYSA-N -1 1 336.323 2.056 20 5 EEBDMM Cc1ccc(C(=O)c2cc([O-])c(O[C@@H](C)CON)c([N+](=O)[O-])c2)cc1 ZINC001227701417 1301935071 /nfs/dbraw/zinc/93/50/71/1301935071.db2.gz FJPOMCIWGXEPCX-NSHDSACASA-N -1 1 346.339 2.497 20 5 EEBDMM Nc1nonc1-c1nc2ccccc2n1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393539 1325263261 /nfs/dbraw/zinc/26/32/61/1325263261.db2.gz FEFMIGYWQZJBJC-UHFFFAOYSA-N -1 1 338.283 2.272 20 5 EEBDMM O=C([O-])c1cc(NC(=O)c2cc(C(F)F)n[nH]2)cc([N+](=O)[O-])c1 ZINC001608855420 1351779323 /nfs/dbraw/zinc/77/93/23/1351779323.db2.gz MXLFYRVMCAHJLL-UHFFFAOYSA-N -1 1 326.215 2.206 20 5 EEBDMM COC[C@H]1CCCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001609319540 1351932081 /nfs/dbraw/zinc/93/20/81/1351932081.db2.gz FVYGKWATQLDRQP-NSHDSACASA-N -1 1 332.364 2.028 20 5 EEBDMM COC[C@H]1CCCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001609319540 1351932086 /nfs/dbraw/zinc/93/20/86/1351932086.db2.gz FVYGKWATQLDRQP-NSHDSACASA-N -1 1 332.364 2.028 20 5 EEBDMM O=[N+]([O-])c1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)o3)n2)s1 ZINC001609601338 1352030518 /nfs/dbraw/zinc/03/05/18/1352030518.db2.gz ITJKLRGHKQSJFY-UHFFFAOYSA-N -1 1 331.273 2.146 20 5 EEBDMM O=[N+]([O-])c1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)s1 ZINC001609601338 1352030522 /nfs/dbraw/zinc/03/05/22/1352030522.db2.gz ITJKLRGHKQSJFY-UHFFFAOYSA-N -1 1 331.273 2.146 20 5 EEBDMM O=[N+]([O-])c1cc(N[C@@H]2CCO[C@@H](C3CC3)C2)ccc1-c1nn[n-]n1 ZINC001609601296 1352031198 /nfs/dbraw/zinc/03/11/98/1352031198.db2.gz WBIDWYAPSIJDJQ-BXUZGUMPSA-N -1 1 330.348 2.144 20 5 EEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(Nc2ccn(Cc3ccccn3)n2)n1 ZINC001610841197 1352283762 /nfs/dbraw/zinc/28/37/62/1352283762.db2.gz NNIPWVFKTNPBKM-UHFFFAOYSA-N -1 1 340.299 2.071 20 5 EEBDMM CC(C)O[C@@H]1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1(C)C ZINC001589739220 1349026577 /nfs/dbraw/zinc/02/65/77/1349026577.db2.gz GSOVYAQORBNYBG-WDEREUQCSA-N -1 1 347.379 2.174 20 5 EEBDMM CC(C)O[C@@H]1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1(C)C ZINC001589739220 1349026582 /nfs/dbraw/zinc/02/65/82/1349026582.db2.gz GSOVYAQORBNYBG-WDEREUQCSA-N -1 1 347.379 2.174 20 5 EEBDMM Cc1ncsc1CN(C)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592425266 1349629749 /nfs/dbraw/zinc/62/97/49/1349629749.db2.gz ZKOWDJWMUCTIRF-UHFFFAOYSA-N -1 1 331.361 2.176 20 5 EEBDMM Cc1ncsc1CN(C)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592425266 1349629752 /nfs/dbraw/zinc/62/97/52/1349629752.db2.gz ZKOWDJWMUCTIRF-UHFFFAOYSA-N -1 1 331.361 2.176 20 5 EEBDMM O=[N+]([O-])c1c(Nc2ccc3c(c2)OCCO3)cccc1-c1nnn[n-]1 ZINC001593469544 1349805107 /nfs/dbraw/zinc/80/51/07/1349805107.db2.gz VGZMGIYPFXMMNU-UHFFFAOYSA-N -1 1 340.299 2.290 20 5 EEBDMM O=[N+]([O-])c1c(Nc2ccc3c(c2)OCCO3)cccc1-c1nn[n-]n1 ZINC001593469544 1349805112 /nfs/dbraw/zinc/80/51/12/1349805112.db2.gz VGZMGIYPFXMMNU-UHFFFAOYSA-N -1 1 340.299 2.290 20 5 EEBDMM O=[N+]([O-])c1cc(NC[C@H]2CC[C@H](C3CC3)O2)ccc1-c1nn[n-]n1 ZINC001593474031 1349808312 /nfs/dbraw/zinc/80/83/12/1349808312.db2.gz NYEMLAJKUWSVKX-BXUZGUMPSA-N -1 1 330.348 2.144 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC[C@@H](CCF)C1 ZINC001593488296 1349816377 /nfs/dbraw/zinc/81/63/77/1349816377.db2.gz ULTDORDRSSQPIR-QMMMGPOBSA-N -1 1 326.357 2.412 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC[C@@H](CCF)C1 ZINC001593488296 1349816380 /nfs/dbraw/zinc/81/63/80/1349816380.db2.gz ULTDORDRSSQPIR-QMMMGPOBSA-N -1 1 326.357 2.412 20 5 EEBDMM C[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c2nccn21 ZINC001603861221 1350785486 /nfs/dbraw/zinc/78/54/86/1350785486.db2.gz LASQSYUNTGREIH-BQBZGAKWSA-N -1 1 332.349 2.151 20 5 EEBDMM C[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c2nccn21 ZINC001603861221 1350785490 /nfs/dbraw/zinc/78/54/90/1350785490.db2.gz LASQSYUNTGREIH-BQBZGAKWSA-N -1 1 332.349 2.151 20 5 EEBDMM O=[N+]([O-])c1cc(N2CC(Cc3ccco3)C2)ccc1-c1nn[n-]n1 ZINC001607079245 1351408670 /nfs/dbraw/zinc/40/86/70/1351408670.db2.gz YRRHWSMNCLOZES-UHFFFAOYSA-N -1 1 326.316 2.047 20 5 EEBDMM Cc1oc(CN(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000846261676 790107836 /nfs/dbraw/zinc/10/78/36/790107836.db2.gz RBUGIOADWYNUAO-HNNXBMFYSA-N -1 1 334.328 2.360 20 5 EEBDMM COC(=O)c1c[n-]c(SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000789969971 808304895 /nfs/dbraw/zinc/30/48/95/808304895.db2.gz ZBMFEQKLMIQPQQ-UHFFFAOYSA-N -1 1 338.301 2.305 20 5 EEBDMM Cc1ccncc1[C@@H](C)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826315550 947922106 /nfs/dbraw/zinc/92/21/06/947922106.db2.gz MLIYKWRSSFGKQK-SECBINFHSA-N -1 1 326.320 2.046 20 5 EEBDMM Cc1ccncc1[C@@H](C)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826315550 947922111 /nfs/dbraw/zinc/92/21/11/947922111.db2.gz MLIYKWRSSFGKQK-SECBINFHSA-N -1 1 326.320 2.046 20 5 EEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCN2Cc2ccccc2)n1 ZINC000716179953 977813153 /nfs/dbraw/zinc/81/31/53/977813153.db2.gz UGRKTRFMJNLBMC-ZDUSSCGKSA-N -1 1 342.355 2.374 20 5 EEBDMM CO[C@]1(C(=O)[O-])CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000901541433 980369434 /nfs/dbraw/zinc/36/94/34/980369434.db2.gz HMRIPBJTNRLQHB-CYBMUJFWSA-N -1 1 348.277 2.289 20 5 EEBDMM CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC000902031927 980703231 /nfs/dbraw/zinc/70/32/31/980703231.db2.gz IKZWZUUZZOKABL-GXFFZTMASA-N -1 1 328.752 2.312 20 5 EEBDMM Cc1ccccc1OCCN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186802461 236025850 /nfs/dbraw/zinc/02/58/50/236025850.db2.gz LRFIHDNEBBQDNP-UHFFFAOYSA-N -1 1 331.328 2.155 20 5 EEBDMM CC[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038039576 202389148 /nfs/dbraw/zinc/38/91/48/202389148.db2.gz AKBUMZUUOZBLJM-ZETCQYMHSA-N -1 1 337.195 2.434 20 5 EEBDMM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000056124829 201136804 /nfs/dbraw/zinc/13/68/04/201136804.db2.gz HVDVMYMWRSOFRZ-UHFFFAOYSA-N -1 1 328.296 2.352 20 5 EEBDMM O=C(N[C@@H]1CCCc2c(O)cccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000190310617 284037514 /nfs/dbraw/zinc/03/75/14/284037514.db2.gz VMMHMPMHQCRYFP-GFCCVEGCSA-N -1 1 329.312 2.208 20 5 EEBDMM CCn1c(CCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)n[n-]c1=S ZINC000078543017 203421384 /nfs/dbraw/zinc/42/13/84/203421384.db2.gz BTCZODSGFGBFCM-UHFFFAOYSA-N -1 1 335.389 2.150 20 5 EEBDMM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000267332312 256050015 /nfs/dbraw/zinc/05/00/15/256050015.db2.gz YBAYJRBUJKGBIN-UHFFFAOYSA-N -1 1 346.343 2.276 20 5 EEBDMM CCOc1cc(Oc2nc3c(cnn3C)c(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000357652550 153267481 /nfs/dbraw/zinc/26/74/81/153267481.db2.gz INMAGDHDXCSTSY-UHFFFAOYSA-N -1 1 331.288 2.168 20 5 EEBDMM Cc1c(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)cccc1[N+](=O)[O-] ZINC000181710380 280249241 /nfs/dbraw/zinc/24/92/41/280249241.db2.gz MFJABVZYGQKVOT-UHFFFAOYSA-N -1 1 327.300 2.143 20 5 EEBDMM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCN(C2CCCCC2)CC1 ZINC000332404498 312002270 /nfs/dbraw/zinc/00/22/70/312002270.db2.gz WSLUNNCKGCDDLH-UHFFFAOYSA-N -1 1 333.388 2.391 20 5 EEBDMM CCOc1cccc([C@H]2C[C@H]2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000445143357 315347360 /nfs/dbraw/zinc/34/73/60/315347360.db2.gz PMWNYZJMICETQM-ZIAGYGMSSA-N -1 1 343.339 2.380 20 5 EEBDMM Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339105495 465085558 /nfs/dbraw/zinc/08/55/58/465085558.db2.gz MVCJSJINYKBUKG-RHSMWYFYSA-N -1 1 346.387 2.271 20 5 EEBDMM CCC[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])OC ZINC000296313630 465152730 /nfs/dbraw/zinc/15/27/30/465152730.db2.gz SVCLXIHXIPXLJF-SECBINFHSA-N -1 1 336.797 2.342 20 5 EEBDMM COc1cccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000005985533 462674083 /nfs/dbraw/zinc/67/40/83/462674083.db2.gz SRFRRABBULPOCG-UHFFFAOYSA-N -1 1 338.341 2.413 20 5 EEBDMM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1ccco1 ZINC000080790462 463356680 /nfs/dbraw/zinc/35/66/80/463356680.db2.gz HHZDOJYYXPDDCT-LBPRGKRZSA-N -1 1 340.357 2.162 20 5 EEBDMM CCOC(=O)c1cnc(C(C)=Cc2ccc([N+](=O)[O-])cc2)[n-]c1=O ZINC000188021594 464184357 /nfs/dbraw/zinc/18/43/57/464184357.db2.gz FCBYUGDSFNFEKN-CSKARUKUSA-N -1 1 329.312 2.415 20 5 EEBDMM CCc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)o1 ZINC000281564366 464504958 /nfs/dbraw/zinc/50/49/58/464504958.db2.gz UWXQODHYWBRXCK-UHFFFAOYSA-N -1 1 339.373 2.186 20 5 EEBDMM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1 ZINC000330444579 465664043 /nfs/dbraw/zinc/66/40/43/465664043.db2.gz CQIWZTZUHGWVAU-MNOVXSKESA-N -1 1 330.410 2.058 20 5 EEBDMM Cc1cc(C)cc(OCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000303009494 466216112 /nfs/dbraw/zinc/21/61/12/466216112.db2.gz OLMFUTYUNVTVPT-UHFFFAOYSA-N -1 1 331.328 2.121 20 5 EEBDMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(F)c1 ZINC000361982642 466457656 /nfs/dbraw/zinc/45/76/56/466457656.db2.gz GAISAROMPYLSJZ-UHFFFAOYSA-N -1 1 346.317 2.294 20 5 EEBDMM CCC(C)(C)N1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000594596851 468630859 /nfs/dbraw/zinc/63/08/59/468630859.db2.gz GALLGOZAXUPYIL-UHFFFAOYSA-N -1 1 349.387 2.239 20 5 EEBDMM Cc1ccc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1C ZINC000594838693 468702515 /nfs/dbraw/zinc/70/25/15/468702515.db2.gz FKYVSSUKGZSJJH-UHFFFAOYSA-N -1 1 335.385 2.128 20 5 EEBDMM CC(C)(C)CN(CC(=O)[O-])C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000595278265 468798713 /nfs/dbraw/zinc/79/87/13/468798713.db2.gz XCSVXGJQVDNBFK-UHFFFAOYSA-N -1 1 334.332 2.044 20 5 EEBDMM CNc1nccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1[N+](=O)[O-] ZINC000574530410 469275365 /nfs/dbraw/zinc/27/53/65/469275365.db2.gz BDVPNSCMGKABHN-JTQLQIEISA-N -1 1 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326.194 2.449 20 5 EEBDMM COc1ccccc1C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780072567 1236363981 /nfs/dbraw/zinc/36/39/81/1236363981.db2.gz QWTILACRIRWSRM-UHFFFAOYSA-N -1 1 331.280 2.349 20 5 EEBDMM O=C(OCCOc1ccccc1[N+](=O)[O-])c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075302 1236628751 /nfs/dbraw/zinc/62/87/51/1236628751.db2.gz JUSNGVQUNILCLK-UHFFFAOYSA-N -1 1 348.267 2.444 20 5 EEBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC000780075063 1236684872 /nfs/dbraw/zinc/68/48/72/1236684872.db2.gz MCVOMRAXGBTIRE-UHFFFAOYSA-N -1 1 343.291 2.275 20 5 EEBDMM CCN1CC(Oc2cc3c(cc2[O-])oc2cccc(O)c2c3=O)C1 ZINC001227307124 1301776030 /nfs/dbraw/zinc/77/60/30/1301776030.db2.gz RMRVDXJGYJBRMJ-UHFFFAOYSA-N -1 1 327.336 2.440 20 5 EEBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(OC[C@H]3COCO3)c12 ZINC001234744746 1305017503 /nfs/dbraw/zinc/01/75/03/1305017503.db2.gz OHWCILULLNPZEX-LLVKDONJSA-N -1 1 330.292 2.109 20 5 EEBDMM O=C1CC[C@@H](COc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)O1 ZINC001234745893 1305017835 /nfs/dbraw/zinc/01/78/35/1305017835.db2.gz XFYVWEQKCXOMDB-NSHDSACASA-N -1 1 342.303 2.442 20 5 EEBDMM O=c1c2ccc(O)c(O[C@@H]3COC[C@H]3F)c2oc2cc([O-])cc(O)c12 ZINC001234753633 1305019738 /nfs/dbraw/zinc/01/97/38/1305019738.db2.gz QEHKJQYFRUHUNG-NOZJJQNGSA-N -1 1 348.282 2.179 20 5 EEBDMM C[C@@]1(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000836907748 1315041300 /nfs/dbraw/zinc/04/13/00/1315041300.db2.gz ARVPMMQCMKKQJA-LLVKDONJSA-N -1 1 334.159 2.399 20 5 EEBDMM Cc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)o1 ZINC000841543406 1315574389 /nfs/dbraw/zinc/57/43/89/1315574389.db2.gz VQEMKRSSEMVFQT-UHFFFAOYSA-N -1 1 345.764 2.332 20 5 EEBDMM O=[N+]([O-])c1cc(N2CCC[C@H]2C2CCOCC2)ccc1-c1nn[n-]n1 ZINC001609600928 1352030691 /nfs/dbraw/zinc/03/06/91/1352030691.db2.gz KBEKOTVMOBGYSC-AWEZNQCLSA-N -1 1 344.375 2.170 20 5 EEBDMM O=[N+]([O-])c1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)o3)n2)cc1 ZINC001609601714 1352031808 /nfs/dbraw/zinc/03/18/08/1352031808.db2.gz WPJMRANIWLAQSW-UHFFFAOYSA-N -1 1 325.244 2.085 20 5 EEBDMM O=[N+]([O-])c1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)cc1 ZINC001609601714 1352031811 /nfs/dbraw/zinc/03/18/11/1352031811.db2.gz WPJMRANIWLAQSW-UHFFFAOYSA-N -1 1 325.244 2.085 20 5 EEBDMM CC(C)[C@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCCO1 ZINC001589516748 1348999430 /nfs/dbraw/zinc/99/94/30/1348999430.db2.gz HOTQOSQHKQMKRU-CQSZACIVSA-N -1 1 332.364 2.026 20 5 EEBDMM Cc1nn(C)cc1[C@@H](C)Nc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592034792 1349586676 /nfs/dbraw/zinc/58/66/76/1349586676.db2.gz NLCYBISSQFIUNR-SECBINFHSA-N -1 1 342.363 2.298 20 5 EEBDMM Cc1nn(C)cc1[C@@H](C)Nc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592034792 1349586680 /nfs/dbraw/zinc/58/66/80/1349586680.db2.gz NLCYBISSQFIUNR-SECBINFHSA-N -1 1 342.363 2.298 20 5 EEBDMM O=Cc1ccc([N+](=O)[O-])c(OCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001593415826 1349798979 /nfs/dbraw/zinc/79/89/79/1349798979.db2.gz GSIOIIWCDLTLFM-UHFFFAOYSA-N -1 1 331.313 2.228 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1cnc(Cl)c(F)c1 ZINC001593465721 1349802107 /nfs/dbraw/zinc/80/21/07/1349802107.db2.gz XNKFLLBLRLXPOJ-UHFFFAOYSA-N -1 1 337.658 2.150 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1cnc(Cl)c(F)c1 ZINC001593465721 1349802111 /nfs/dbraw/zinc/80/21/11/1349802111.db2.gz XNKFLLBLRLXPOJ-UHFFFAOYSA-N -1 1 337.658 2.150 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC001593466891 1349803161 /nfs/dbraw/zinc/80/31/61/1349803161.db2.gz OCRAKNIYXMXDAE-NWDGAFQWSA-N -1 1 344.375 2.028 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC001593466891 1349803163 /nfs/dbraw/zinc/80/31/63/1349803163.db2.gz OCRAKNIYXMXDAE-NWDGAFQWSA-N -1 1 344.375 2.028 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CCCCC1(F)F ZINC001593465874 1349803736 /nfs/dbraw/zinc/80/37/36/1349803736.db2.gz YYRXLVMUDIYCJX-MRVPVSSYSA-N -1 1 339.306 2.407 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CCCCC1(F)F ZINC001593465874 1349803740 /nfs/dbraw/zinc/80/37/40/1349803740.db2.gz YYRXLVMUDIYCJX-MRVPVSSYSA-N -1 1 339.306 2.407 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCCC2(CCCC2)C1 ZINC001593466135 1349803751 /nfs/dbraw/zinc/80/37/51/1349803751.db2.gz MZOYIKVGZYGNKK-UHFFFAOYSA-N -1 1 329.364 2.331 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCCC2(CCCC2)C1 ZINC001593466135 1349803753 /nfs/dbraw/zinc/80/37/53/1349803753.db2.gz MZOYIKVGZYGNKK-UHFFFAOYSA-N -1 1 329.364 2.331 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCc1nc2c(s1)CCC2 ZINC001593488976 1349816243 /nfs/dbraw/zinc/81/62/43/1349816243.db2.gz QLSKUMWMMBIVMS-UHFFFAOYSA-N -1 1 349.401 2.394 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCc1nc2c(s1)CCC2 ZINC001593488976 1349816246 /nfs/dbraw/zinc/81/62/46/1349816246.db2.gz QLSKUMWMMBIVMS-UHFFFAOYSA-N -1 1 349.401 2.394 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@H]1CCOC12CCCC2 ZINC001593487341 1349816515 /nfs/dbraw/zinc/81/65/15/1349816515.db2.gz CRLKXRHHDDLGKN-JTQLQIEISA-N -1 1 336.377 2.350 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COc1c(O)ccc(CNCc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001574598765 983262129 /nfs/dbraw/zinc/26/21/29/983262129.db2.gz OEZMTWYLLDPRQE-UHFFFAOYSA-N -1 1 332.312 2.297 20 5 EEBDMM COc1cc(CN2CC[C@@H](C(=O)[O-])C[C@H]2C)c([N+](=O)[O-])cc1F ZINC001599408161 997367806 /nfs/dbraw/zinc/36/78/06/997367806.db2.gz KUXYCURCVZQPCI-NXEZZACHSA-N -1 1 326.324 2.428 20 5 EEBDMM C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001594446917 999640691 /nfs/dbraw/zinc/64/06/91/999640691.db2.gz DNHBNXBKMCQYJV-RTHLEPHNSA-N -1 1 344.327 2.321 20 5 EEBDMM COc1ccc(CC[C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000187034166 236100253 /nfs/dbraw/zinc/10/02/53/236100253.db2.gz OKJRSQCCRBDEJI-NSHDSACASA-N -1 1 345.355 2.455 20 5 EEBDMM Cc1csc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000187132853 236127440 /nfs/dbraw/zinc/12/74/40/236127440.db2.gz WNCLFDKJVDMARP-NSHDSACASA-N -1 1 334.357 2.341 20 5 EEBDMM O=C(NC1(c2nccs2)CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187564148 236247712 /nfs/dbraw/zinc/24/77/12/236247712.db2.gz PNBAOJRRFAUSAR-UHFFFAOYSA-N -1 1 334.357 2.351 20 5 EEBDMM COc1cccc(CCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000193531977 240202224 /nfs/dbraw/zinc/20/22/24/240202224.db2.gz IAECONMSCGSUMC-UHFFFAOYSA-N -1 1 331.328 2.067 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CCCC(C)(C)C2)c([N+](=O)[O-])n1 ZINC000452051978 243335167 /nfs/dbraw/zinc/33/51/67/243335167.db2.gz YMDLFCHAUYZVGE-NSHDSACASA-N -1 1 344.437 2.306 20 5 EEBDMM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000262841204 245206150 /nfs/dbraw/zinc/20/61/50/245206150.db2.gz GYKBOGPWKTUYFE-MRXNPFEDSA-N -1 1 346.343 2.044 20 5 EEBDMM COC[C@H](Cc1ccccc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000191424522 152254698 /nfs/dbraw/zinc/25/46/98/152254698.db2.gz LSEDZJAOCINZNB-AWEZNQCLSA-N -1 1 345.355 2.025 20 5 EEBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2ccccc2n1C ZINC000185690776 160045565 /nfs/dbraw/zinc/04/55/65/160045565.db2.gz 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Cc1c([N-]c2nccc(C(N)=O)c2[N+](=O)[O-])cnn1C1CCCC1 ZINC000291020718 275261922 /nfs/dbraw/zinc/26/19/22/275261922.db2.gz XLNRVYCXTXRIJR-UHFFFAOYSA-N -1 1 330.348 2.452 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@@]2(C)CCCC[C@H]2C)c([N+](=O)[O-])n1 ZINC000416520069 313244669 /nfs/dbraw/zinc/24/46/69/313244669.db2.gz WIBAIDZSXAGCRA-MFKMUULPSA-N -1 1 330.410 2.058 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)CCCC(C)C)c([N+](=O)[O-])n1 ZINC000435798726 314924751 /nfs/dbraw/zinc/92/47/51/314924751.db2.gz JGSWEHNQXNCTIF-NSHDSACASA-N -1 1 332.426 2.304 20 5 EEBDMM Cc1ccccc1O[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000440268175 315121961 /nfs/dbraw/zinc/12/19/61/315121961.db2.gz ORLOXQYRWYDICU-LLVKDONJSA-N -1 1 331.328 2.201 20 5 EEBDMM Cc1c(CN2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)cccc1[N+](=O)[O-] ZINC000567359974 319373458 /nfs/dbraw/zinc/37/34/58/319373458.db2.gz HYCKKZQWHBHFLF-ZDUSSCGKSA-N -1 1 345.359 2.030 20 5 EEBDMM Cc1c(CN2CCC(n3cc(C(=O)[O-])nn3)CC2)cccc1[N+](=O)[O-] ZINC000580097350 323994625 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467542687 /nfs/dbraw/zinc/54/26/87/467542687.db2.gz ZWJTWPYDJJOABA-UHFFFAOYSA-N -1 1 346.295 2.105 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C1CC1 ZINC000578708296 468240765 /nfs/dbraw/zinc/24/07/65/468240765.db2.gz RCWCSGXJORBAEQ-CQSZACIVSA-N -1 1 347.396 2.462 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000598305811 468825599 /nfs/dbraw/zinc/82/55/99/468825599.db2.gz CINZSNCQMPAFLL-FZMZJTMJSA-N -1 1 335.360 2.117 20 5 EEBDMM CC[C@@H](C)C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000572963653 469031934 /nfs/dbraw/zinc/03/19/34/469031934.db2.gz KRUZUALJZNXSTG-PELKAZGASA-N -1 1 334.332 2.090 20 5 EEBDMM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000610739721 469056925 /nfs/dbraw/zinc/05/69/25/469056925.db2.gz MBQBAXKDUHGVME-ZJUUUORDSA-N -1 1 348.808 2.342 20 5 EEBDMM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000759794560 577650401 /nfs/dbraw/zinc/65/04/01/577650401.db2.gz 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CC(C)C[C@H]1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC000824243773 609170842 /nfs/dbraw/zinc/17/08/42/609170842.db2.gz ODGUIBICQNDVEU-MNOVXSKESA-N -1 1 347.379 2.176 20 5 EEBDMM CC(C)C[C@H]1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC000824243773 609170843 /nfs/dbraw/zinc/17/08/43/609170843.db2.gz ODGUIBICQNDVEU-MNOVXSKESA-N -1 1 347.379 2.176 20 5 EEBDMM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000841561217 1187148326 /nfs/dbraw/zinc/14/83/26/1187148326.db2.gz RETUVVQYDQYWTO-XPTSAGLGSA-N -1 1 346.380 2.216 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CSC[C@@H]2C)cc1F ZINC000867260604 1285014222 /nfs/dbraw/zinc/01/42/22/1285014222.db2.gz APDHPPUGWNEAIH-WPRPVWTQSA-N -1 1 334.394 2.072 20 5 EEBDMM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000859353403 1294405643 /nfs/dbraw/zinc/40/56/43/1294405643.db2.gz DETOALVTJPERKY-UHFFFAOYSA-N -1 1 346.792 2.286 20 5 EEBDMM CN(C(=O)OC(C)(C)C)[C@H]1C[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 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C[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cccc(O)c1 ZINC000820461196 606706082 /nfs/dbraw/zinc/70/60/82/606706082.db2.gz FVUYHNFTEWKQGU-MRVPVSSYSA-N -1 1 327.304 2.049 20 5 EEBDMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000825147575 608429265 /nfs/dbraw/zinc/42/92/65/608429265.db2.gz JYXJSBDSOVPIIY-LLVKDONJSA-N -1 1 326.320 2.128 20 5 EEBDMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000825147575 608429266 /nfs/dbraw/zinc/42/92/66/608429266.db2.gz JYXJSBDSOVPIIY-LLVKDONJSA-N -1 1 326.320 2.128 20 5 EEBDMM Cc1cc(N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)ccc1[N+](=O)[O-] ZINC001059197023 683182456 /nfs/dbraw/zinc/18/24/56/683182456.db2.gz TUIWWWXTSOKMIX-JOCQHMNTSA-N -1 1 342.355 2.377 20 5 EEBDMM COc1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1C ZINC000119637000 683567810 /nfs/dbraw/zinc/56/78/10/683567810.db2.gz WOKGZWKTKVJUGJ-UHFFFAOYSA-N -1 1 342.398 2.452 20 5 EEBDMM CSC(C)(C)C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000866900952 684211273 /nfs/dbraw/zinc/21/12/73/684211273.db2.gz PVTZFQKWHUOEMO-UHFFFAOYSA-N -1 1 336.410 2.462 20 5 EEBDMM Cc1ccc([N+](=O)[O-])c(C(=O)OCCC[N-]C(=O)C(F)(F)F)c1C ZINC000885423946 1202412912 /nfs/dbraw/zinc/41/29/12/1202412912.db2.gz GIZHQWBCDSVTRR-UHFFFAOYSA-N -1 1 348.277 2.437 20 5 EEBDMM CN(Cc1ccccc1)C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780077441 1236696702 /nfs/dbraw/zinc/69/67/02/1236696702.db2.gz YVWZHCYWJPQSOD-UHFFFAOYSA-N -1 1 344.323 2.116 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCCOC2)cc1F ZINC000867068916 1281699021 /nfs/dbraw/zinc/69/90/21/1281699021.db2.gz CWBFCFVMJCWKBJ-WDEREUQCSA-N -1 1 346.380 2.136 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccccn1 ZINC000101568289 1283406526 /nfs/dbraw/zinc/40/65/26/1283406526.db2.gz ARDPOURMFYJWNL-UHFFFAOYSA-N -1 1 341.776 2.164 20 5 EEBDMM O=C(NCc1cccc(Cl)c1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001116795542 1305919455 /nfs/dbraw/zinc/91/94/55/1305919455.db2.gz OSIOAQBLRRWCFI-UHFFFAOYSA-N -1 1 325.683 2.418 20 5 EEBDMM O=C([N-]CCNc1ccc2ccc([N+](=O)[O-])cc2n1)C(F)(F)F ZINC001156199044 1317916367 /nfs/dbraw/zinc/91/63/67/1317916367.db2.gz BVEDOVWFNJABEK-UHFFFAOYSA-N -1 1 328.250 2.233 20 5 EEBDMM O=C([O-])C1(N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C2CC2)CCC1 ZINC001602630318 1350561930 /nfs/dbraw/zinc/56/19/30/1350561930.db2.gz FNBWLNGZAHCOLE-UHFFFAOYSA-N -1 1 344.327 2.083 20 5 EEBDMM COc1cccc(CCNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1 ZINC001605317057 1351134507 /nfs/dbraw/zinc/13/45/07/1351134507.db2.gz PXBAXOLNSQSZPL-UHFFFAOYSA-N -1 1 346.372 2.500 20 5 EEBDMM COc1cccc(CCNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c1 ZINC001605317057 1351134509 /nfs/dbraw/zinc/13/45/09/1351134509.db2.gz PXBAXOLNSQSZPL-UHFFFAOYSA-N -1 1 346.372 2.500 20 5 EEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cc(C2CC2)no1 ZINC001309840681 1331643344 /nfs/dbraw/zinc/64/33/44/1331643344.db2.gz QWYKMWFCGKHXKG-UHFFFAOYSA-N -1 1 341.320 2.078 20 5 EEBDMM O=C([O-])Cc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC001608788041 1351763649 /nfs/dbraw/zinc/76/36/49/1351763649.db2.gz YTOFKBYZYWJROG-UHFFFAOYSA-N -1 1 336.325 2.023 20 5 EEBDMM C[C@H]1C[C@@H](CCNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCO1 ZINC001609156422 1351866694 /nfs/dbraw/zinc/86/66/94/1351866694.db2.gz HRRJSWNGMFETSE-QWRGUYRKSA-N -1 1 332.364 2.392 20 5 EEBDMM CCOC[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001609239952 1351905001 /nfs/dbraw/zinc/90/50/01/1351905001.db2.gz CQPMRHSLXHGCLU-LLVKDONJSA-N -1 1 332.364 2.028 20 5 EEBDMM CCOC[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001609239952 1351905002 /nfs/dbraw/zinc/90/50/02/1351905002.db2.gz CQPMRHSLXHGCLU-LLVKDONJSA-N -1 1 332.364 2.028 20 5 EEBDMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2ccccc2[N+](=O)[O-])n1 ZINC001609449066 1351982595 /nfs/dbraw/zinc/98/25/95/1351982595.db2.gz KXFCTSBJQDNWFO-UHFFFAOYSA-N -1 1 343.372 2.474 20 5 EEBDMM COc1ccc(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001610335541 1352207229 /nfs/dbraw/zinc/20/72/29/1352207229.db2.gz BHVXQTFJSMDQGO-UHFFFAOYSA-N -1 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Cc1nc(NC[C@@H](C)c2ccccc2[N+](=O)[O-])cc(-c2nnn[n-]2)n1 ZINC001592384276 1349625980 /nfs/dbraw/zinc/62/59/80/1349625980.db2.gz JEYNGXHQUKGENC-SECBINFHSA-N -1 1 340.347 2.089 20 5 EEBDMM Cc1nc(NC[C@@H](C)c2ccccc2[N+](=O)[O-])cc(-c2nn[n-]n2)n1 ZINC001592384276 1349625984 /nfs/dbraw/zinc/62/59/84/1349625984.db2.gz JEYNGXHQUKGENC-SECBINFHSA-N -1 1 340.347 2.089 20 5 EEBDMM O=[N+]([O-])c1c(NCCOCC2CCCC2)cccc1-c1nnn[n-]1 ZINC001593465075 1349802283 /nfs/dbraw/zinc/80/22/83/1349802283.db2.gz HWWGRPJKXBJHII-UHFFFAOYSA-N -1 1 332.364 2.394 20 5 EEBDMM O=[N+]([O-])c1c(NCCOCC2CCCC2)cccc1-c1nn[n-]n1 ZINC001593465075 1349802284 /nfs/dbraw/zinc/80/22/84/1349802284.db2.gz HWWGRPJKXBJHII-UHFFFAOYSA-N -1 1 332.364 2.394 20 5 EEBDMM O=[N+]([O-])c1c(NCCSCC(F)(F)F)cccc1-c1nnn[n-]1 ZINC001593466310 1349803622 /nfs/dbraw/zinc/80/36/22/1349803622.db2.gz XVVNKYWFKSTNPP-UHFFFAOYSA-N -1 1 348.310 2.482 20 5 EEBDMM O=[N+]([O-])c1c(NCCSCC(F)(F)F)cccc1-c1nn[n-]n1 ZINC001593466310 1349803625 /nfs/dbraw/zinc/80/36/25/1349803625.db2.gz XVVNKYWFKSTNPP-UHFFFAOYSA-N -1 1 348.310 2.482 20 5 EEBDMM O=[N+]([O-])c1ccc(NCc2ccnc(-c3nnn[n-]3)c2)c2ccncc21 ZINC001593478731 1349811765 /nfs/dbraw/zinc/81/17/65/1349811765.db2.gz MQRUBMGLWIHNBI-UHFFFAOYSA-N -1 1 348.326 2.330 20 5 EEBDMM O=[N+]([O-])c1ccc(NCc2ccnc(-c3nn[n-]n3)c2)c2ccncc21 ZINC001593478731 1349811771 /nfs/dbraw/zinc/81/17/71/1349811771.db2.gz MQRUBMGLWIHNBI-UHFFFAOYSA-N -1 1 348.326 2.330 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC1CC2(CC2(F)F)C1 ZINC001593488620 1349816008 /nfs/dbraw/zinc/81/60/08/1349816008.db2.gz IWWIBDMZSYFCGZ-UHFFFAOYSA-N -1 1 328.304 2.436 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC1CC2(CC2(F)F)C1 ZINC001593488620 1349816013 /nfs/dbraw/zinc/81/60/13/1349816013.db2.gz IWWIBDMZSYFCGZ-UHFFFAOYSA-N -1 1 328.304 2.436 20 5 EEBDMM C[C@H]1CC2(CC(Nc3cc(-c4nnn[n-]4)sc3[N+](=O)[O-])C2)CO1 ZINC001603871183 1350787997 /nfs/dbraw/zinc/78/79/97/1350787997.db2.gz KAAPNWYLSQUAMY-DWHFKYGWSA-N -1 1 336.377 2.206 20 5 EEBDMM C[C@H]1CC2(CC(Nc3cc(-c4nn[n-]n4)sc3[N+](=O)[O-])C2)CO1 ZINC001603871183 1350787999 /nfs/dbraw/zinc/78/79/99/1350787999.db2.gz KAAPNWYLSQUAMY-DWHFKYGWSA-N -1 1 336.377 2.206 20 5 EEBDMM CC[C@@H](COCC1CC1)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604039313 1350836618 /nfs/dbraw/zinc/83/66/18/1350836618.db2.gz JEUYLWKCCHLNKQ-NSHDSACASA-N -1 1 332.364 2.392 20 5 EEBDMM CCC1(C)CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001604084431 1350851021 /nfs/dbraw/zinc/85/10/21/1350851021.db2.gz QGQBIGWOFPFYBV-UHFFFAOYSA-N -1 1 331.380 2.374 20 5 EEBDMM CCC1(C)CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001604084431 1350851023 /nfs/dbraw/zinc/85/10/23/1350851023.db2.gz QGQBIGWOFPFYBV-UHFFFAOYSA-N -1 1 331.380 2.374 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCc1ccccc1 ZINC001607077047 1351407153 /nfs/dbraw/zinc/40/71/53/1351407153.db2.gz JDQZNGWPQZDVGB-UHFFFAOYSA-N -1 1 325.332 2.215 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCc1ccccc1 ZINC001607077047 1351407154 /nfs/dbraw/zinc/40/71/54/1351407154.db2.gz JDQZNGWPQZDVGB-UHFFFAOYSA-N -1 1 325.332 2.215 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001607088929 1351413500 /nfs/dbraw/zinc/41/35/00/1351413500.db2.gz ZIUMCUKFHDZCNZ-KHQFGBGNSA-N -1 1 336.377 2.206 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001607088929 1351413501 /nfs/dbraw/zinc/41/35/01/1351413501.db2.gz ZIUMCUKFHDZCNZ-KHQFGBGNSA-N -1 1 336.377 2.206 20 5 EEBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1[C@H](C)CC(C(=O)[O-])C[C@H]1C ZINC001607826291 1351565976 /nfs/dbraw/zinc/56/59/76/1351565976.db2.gz LBAVASLNDRQVFV-VXGBXAGGSA-N -1 1 349.387 2.415 20 5 EEBDMM COc1ccccc1[C@H](C)N(OC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000855128086 1369387687 /nfs/dbraw/zinc/38/76/87/1369387687.db2.gz KNBKADJLCNWMAA-JTQLQIEISA-N -1 1 347.327 2.469 20 5 EEBDMM Cc1cc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000920901586 770905470 /nfs/dbraw/zinc/90/54/70/770905470.db2.gz 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O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](O)C1 ZINC000121783256 1201665928 /nfs/dbraw/zinc/66/59/28/1201665928.db2.gz WMNIHTDHOJAIGB-GXSJLCMTSA-N -1 1 348.808 2.078 20 5 EEBDMM COC(=O)c1ccc(C(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)[n-]1 ZINC000796345825 1213854533 /nfs/dbraw/zinc/85/45/33/1213854533.db2.gz QNJXYLYYRPMQCR-UHFFFAOYSA-N -1 1 340.238 2.345 20 5 EEBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ncccc2Br)no1 ZINC001212892918 1214379485 /nfs/dbraw/zinc/37/94/85/1214379485.db2.gz CFXDFAQVRZSPAA-UHFFFAOYSA-N -1 1 337.093 2.192 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCSC2)cc1F ZINC000867270192 1285183123 /nfs/dbraw/zinc/18/31/23/1285183123.db2.gz MCSUQVJJMFIYCU-JTQLQIEISA-N -1 1 348.421 2.464 20 5 EEBDMM COC(=O)c1nn(-c2cc([O-])cc([N+](=O)[O-])c2)c2ccc(N)cc12 ZINC001201229192 1289361918 /nfs/dbraw/zinc/36/19/18/1289361918.db2.gz GVBQPNXJHJHBIJ-UHFFFAOYSA-N -1 1 328.284 2.008 20 5 EEBDMM COc1cnc(=S)[n-]c1O[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC001226246831 1301320370 /nfs/dbraw/zinc/32/03/70/1301320370.db2.gz RRWUXUIQGDVQNC-JTQLQIEISA-N -1 1 348.384 2.340 20 5 EEBDMM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229136656 1302636129 /nfs/dbraw/zinc/63/61/29/1302636129.db2.gz XLLPJCSKOYEJER-SECBINFHSA-N -1 1 345.311 2.379 20 5 EEBDMM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229750135 1302935004 /nfs/dbraw/zinc/93/50/04/1302935004.db2.gz KNOJAGWNWBTSLD-SECBINFHSA-N -1 1 336.304 2.489 20 5 EEBDMM COC(=O)C1CC(Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)C1 ZINC001233496885 1304483638 /nfs/dbraw/zinc/48/36/38/1304483638.db2.gz CGGCKRNMTRVVKC-UHFFFAOYSA-N -1 1 325.708 2.455 20 5 EEBDMM C[C@H]1CN(CCc2nnc(-c3cc([N+](=O)[O-])ccc3[O-])o2)C[C@H](C)O1 ZINC001258019070 1319131733 /nfs/dbraw/zinc/13/17/33/1319131733.db2.gz IWCQIGIFNWUCQE-QWRGUYRKSA-N -1 1 348.359 2.002 20 5 EEBDMM C[C@@]1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCCC[C@@H]1O ZINC001609149542 1351862861 /nfs/dbraw/zinc/86/28/61/1351862861.db2.gz QAGOPMWLCZUPCN-WFASDCNBSA-N -1 1 332.364 2.128 20 5 EEBDMM C[C@@]1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCC[C@@H]1O ZINC001609149542 1351862862 /nfs/dbraw/zinc/86/28/62/1351862862.db2.gz QAGOPMWLCZUPCN-WFASDCNBSA-N -1 1 332.364 2.128 20 5 EEBDMM O=[N+]([O-])c1cc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)ccc1-c1nn[n-]n1 ZINC001609601264 1352030651 /nfs/dbraw/zinc/03/06/51/1352030651.db2.gz UTPOKMYVJGBRLV-MPKXVKKWSA-N -1 1 330.348 2.144 20 5 EEBDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC001592501599 1349638163 /nfs/dbraw/zinc/63/81/63/1349638163.db2.gz SWTZYSPCSWTOMR-UHFFFAOYSA-N -1 1 346.278 2.376 20 5 EEBDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC001592501599 1349638166 /nfs/dbraw/zinc/63/81/66/1349638166.db2.gz SWTZYSPCSWTOMR-UHFFFAOYSA-N -1 1 346.278 2.376 20 5 EEBDMM CSC1CCN(c2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001605370627 1351146532 /nfs/dbraw/zinc/14/65/32/1351146532.db2.gz SKWZXSKZADBHTE-UHFFFAOYSA-N -1 1 334.405 2.415 20 5 EEBDMM CSC1CCN(c2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001605370627 1351146535 /nfs/dbraw/zinc/14/65/35/1351146535.db2.gz SKWZXSKZADBHTE-UHFFFAOYSA-N -1 1 334.405 2.415 20 5 EEBDMM Cc1cccc([C@H](O)CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1 ZINC001605908085 1351251939 /nfs/dbraw/zinc/25/19/39/1351251939.db2.gz UQGNCYFQRHLPIP-OAHLLOKOSA-N -1 1 340.343 2.229 20 5 EEBDMM Cc1cccc([C@H](O)CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c1 ZINC001605908085 1351251941 /nfs/dbraw/zinc/25/19/41/1351251941.db2.gz UQGNCYFQRHLPIP-OAHLLOKOSA-N -1 1 340.343 2.229 20 5 EEBDMM COCCN1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001606894549 1351371619 /nfs/dbraw/zinc/37/16/19/1351371619.db2.gz AKUGTMXERWYDIL-VIFPVBQESA-N -1 1 343.767 2.079 20 5 EEBDMM O=[N+]([O-])c1cc(Nc2cccc(-n3ccnn3)c2)ccc1-c1nn[n-]n1 ZINC001607079534 1351408812 /nfs/dbraw/zinc/40/88/12/1351408812.db2.gz JNGIMLYGKPRVHI-UHFFFAOYSA-N -1 1 349.314 2.099 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC[C@H](OC(F)F)C1 ZINC001607085769 1351411749 /nfs/dbraw/zinc/41/17/49/1351411749.db2.gz NEPBYEAGYBLYCD-LURJTMIESA-N -1 1 346.319 2.044 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC[C@H](OC(F)F)C1 ZINC001607085769 1351411750 /nfs/dbraw/zinc/41/17/50/1351411750.db2.gz NEPBYEAGYBLYCD-LURJTMIESA-N -1 1 346.319 2.044 20 5 EEBDMM CC1(C)COC(=O)[C@H]1Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234877579 795411246 /nfs/dbraw/zinc/41/12/46/795411246.db2.gz OWARXQIAWOMPLS-SNVBAGLBSA-N -1 1 346.133 2.393 20 5 EEBDMM COc1ccc(CN[C@](C)(CC(=O)[O-])c2cccnc2)cc1[N+](=O)[O-] ZINC001599571089 998366673 /nfs/dbraw/zinc/36/66/73/998366673.db2.gz KLSZVQWTVAZPSG-QGZVFWFLSA-N -1 1 345.355 2.478 20 5 EEBDMM C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187195195 236143935 /nfs/dbraw/zinc/14/39/35/236143935.db2.gz SBHQSFRHUHSEGF-OTYXRUKQSA-N -1 1 349.318 2.077 20 5 EEBDMM O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000116459673 152054227 /nfs/dbraw/zinc/05/42/27/152054227.db2.gz NZINSUPEHGMHNI-PELKAZGASA-N -1 1 335.266 2.260 20 5 EEBDMM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000352528065 162172805 /nfs/dbraw/zinc/17/28/05/162172805.db2.gz IXADNZKGKJJPHQ-MRVPVSSYSA-N -1 1 343.311 2.308 20 5 EEBDMM CCN(CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cccc(C)c1 ZINC000358944485 164020651 /nfs/dbraw/zinc/02/06/51/164020651.db2.gz HIGSYGMQENKVGK-UHFFFAOYSA-N -1 1 344.371 2.260 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000163975114 226034751 /nfs/dbraw/zinc/03/47/51/226034751.db2.gz UACQPSWRBQVCJF-CYBMUJFWSA-N -1 1 342.355 2.412 20 5 EEBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)O ZINC000293742426 293283868 /nfs/dbraw/zinc/28/38/68/293283868.db2.gz HSLQEOHPTYPZMY-LLVKDONJSA-N -1 1 336.797 2.076 20 5 EEBDMM Cc1ccc([O-])c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000345924361 301654093 /nfs/dbraw/zinc/65/40/93/301654093.db2.gz IUJMDYGMYKVJQU-UHFFFAOYSA-N -1 1 331.284 2.027 20 5 EEBDMM CC[C@H](O)CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000443233221 315234871 /nfs/dbraw/zinc/23/48/71/315234871.db2.gz IBKRWNNVIQFWIH-VIFPVBQESA-N -1 1 336.797 2.078 20 5 EEBDMM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445018217 315337514 /nfs/dbraw/zinc/33/75/14/315337514.db2.gz IHMVDNHRYIECQI-KWQFWETISA-N -1 1 335.266 2.260 20 5 EEBDMM C[C@H]1CN(CCCNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000553812325 318541408 /nfs/dbraw/zinc/54/14/08/318541408.db2.gz UJGBVVZJGBQKRC-RYUDHWBXSA-N -1 1 337.376 2.204 20 5 EEBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000574156495 320000928 /nfs/dbraw/zinc/00/09/28/320000928.db2.gz ARPBEGOFRMZPOU-RYUDHWBXSA-N -1 1 335.360 2.027 20 5 EEBDMM Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000590538296 468269185 /nfs/dbraw/zinc/26/91/85/468269185.db2.gz OWMZTYQXDPJBKF-SNVBAGLBSA-N -1 1 332.316 2.012 20 5 EEBDMM Cc1cnc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])s1 ZINC000121001560 463065167 /nfs/dbraw/zinc/06/51/67/463065167.db2.gz FBIYMKZUMNYEFH-UHFFFAOYSA-N -1 1 341.414 2.455 20 5 EEBDMM CN(Cc1nc2ccccc2s1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000028813825 463233494 /nfs/dbraw/zinc/23/34/94/463233494.db2.gz KNVNUGNGAQPQDP-UHFFFAOYSA-N -1 1 344.352 2.165 20 5 EEBDMM CC(C)c1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 ZINC000160642832 463357531 /nfs/dbraw/zinc/35/75/31/463357531.db2.gz WFXIXPVRINLAOK-UHFFFAOYSA-N -1 1 328.325 2.381 20 5 EEBDMM CC1CC([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000080815672 463360115 /nfs/dbraw/zinc/36/01/15/463360115.db2.gz LYANXWFJMCVGRQ-UHFFFAOYSA-N -1 1 349.206 2.434 20 5 EEBDMM Cc1ccc(-c2n[nH]c(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)n2)o1 ZINC000164965834 463637099 /nfs/dbraw/zinc/63/70/99/463637099.db2.gz GGINRRJMFWRQAM-UHFFFAOYSA-N -1 1 329.272 2.239 20 5 EEBDMM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000170992077 463755697 /nfs/dbraw/zinc/75/56/97/463755697.db2.gz VMVPQYDEZLKGQQ-UHFFFAOYSA-N -1 1 344.780 2.399 20 5 EEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCC[C@H]1CCCCO1 ZINC000186159803 463944117 /nfs/dbraw/zinc/94/41/17/463944117.db2.gz WYVANCXGNUGCJK-LLVKDONJSA-N -1 1 346.380 2.362 20 5 EEBDMM CCC[C@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000269739500 464077821 /nfs/dbraw/zinc/07/78/21/464077821.db2.gz DQWZYNLCYPAIAE-LBPRGKRZSA-N -1 1 336.797 2.078 20 5 EEBDMM CCO[C@@H](CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)C ZINC000173523800 464276879 /nfs/dbraw/zinc/27/68/79/464276879.db2.gz IYPOTPCRSXYXEB-LBPRGKRZSA-N -1 1 348.396 2.463 20 5 EEBDMM CN(C[C@@H]1OCCc2ccccc21)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000338165489 465868381 /nfs/dbraw/zinc/86/83/81/465868381.db2.gz JBNWCIAZOHAGFD-HNNXBMFYSA-N -1 1 343.339 2.081 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CCCc2ccccc21 ZINC000555156662 468460768 /nfs/dbraw/zinc/46/07/68/468460768.db2.gz WRFQOWNBCGNMIR-ZDUSSCGKSA-N -1 1 347.396 2.388 20 5 EEBDMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000349787746 466240485 /nfs/dbraw/zinc/24/04/85/466240485.db2.gz UWPNQORUYHCDLN-UHFFFAOYSA-N -1 1 336.325 2.433 20 5 EEBDMM COc1cccc([C@@H]2C[C@H]2CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000412880123 467139361 /nfs/dbraw/zinc/13/93/61/467139361.db2.gz GUZXTDKRWXPYEU-FZMZJTMJSA-N -1 1 343.339 2.238 20 5 EEBDMM CC[C@@H](O)[C@@H](CC)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451978408 467292603 /nfs/dbraw/zinc/29/26/03/467292603.db2.gz PIDHSURLIOCKTP-MWLCHTKSSA-N -1 1 336.797 2.076 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]1c1ccccc1 ZINC000594870748 468713576 /nfs/dbraw/zinc/71/35/76/468713576.db2.gz CUCMLYFXCYORRO-CHWSQXEVSA-N -1 1 333.369 2.214 20 5 EEBDMM O=C([O-])[C@@H]1CC12CCN(Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000571812189 468842501 /nfs/dbraw/zinc/84/25/01/468842501.db2.gz ZEIVGTQQSYDGFT-NSHDSACASA-N -1 1 331.328 2.423 20 5 EEBDMM C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769049659 577568100 /nfs/dbraw/zinc/56/81/00/577568100.db2.gz PZNKNVGRMYTLFB-YGRLFVJLSA-N -1 1 336.344 2.152 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cccc(F)n1 ZINC000747904981 577952115 /nfs/dbraw/zinc/95/21/15/577952115.db2.gz PEILFMNOZRHWBT-UHFFFAOYSA-N -1 1 345.739 2.261 20 5 EEBDMM CC(=O)c1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000735500156 578155934 /nfs/dbraw/zinc/15/59/34/578155934.db2.gz YTMJNNLILQLIDN-UHFFFAOYSA-N -1 1 326.272 2.165 20 5 EEBDMM CC(=O)c1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735500156 578155936 /nfs/dbraw/zinc/15/59/36/578155936.db2.gz YTMJNNLILQLIDN-UHFFFAOYSA-N -1 1 326.272 2.165 20 5 EEBDMM CC(C)[C@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCS1 ZINC000824224222 607568787 /nfs/dbraw/zinc/56/87/87/607568787.db2.gz NQKZPKATMVTQNG-CYBMUJFWSA-N -1 1 334.405 2.353 20 5 EEBDMM COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821845953 606494013 /nfs/dbraw/zinc/49/40/13/606494013.db2.gz MOEWRYLXDANGQA-UHFFFAOYSA-N -1 1 347.312 2.064 20 5 EEBDMM COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821845953 606494014 /nfs/dbraw/zinc/49/40/14/606494014.db2.gz MOEWRYLXDANGQA-UHFFFAOYSA-N -1 1 347.312 2.064 20 5 EEBDMM CN(Cc1cccc(Cl)c1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821613537 607162826 /nfs/dbraw/zinc/16/28/26/607162826.db2.gz RIDFUZOZOGSYIH-UHFFFAOYSA-N -1 1 345.750 2.460 20 5 EEBDMM CN(Cc1cccc(Cl)c1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821613537 607162827 /nfs/dbraw/zinc/16/28/27/607162827.db2.gz RIDFUZOZOGSYIH-UHFFFAOYSA-N -1 1 345.750 2.460 20 5 EEBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1ccc(-c2nnn[n-]2)nn1 ZINC000826267848 608421499 /nfs/dbraw/zinc/42/14/99/608421499.db2.gz ZQEZQBVALMMITN-UHFFFAOYSA-N -1 1 333.695 2.319 20 5 EEBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1ccc(-c2nn[n-]n2)nn1 ZINC000826267848 608421500 /nfs/dbraw/zinc/42/15/00/608421500.db2.gz ZQEZQBVALMMITN-UHFFFAOYSA-N -1 1 333.695 2.319 20 5 EEBDMM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000128443369 693568904 /nfs/dbraw/zinc/56/89/04/693568904.db2.gz PGZNYHIYKYPXHH-MWLCHTKSSA-N -1 1 334.781 2.094 20 5 EEBDMM Cn1cc(C=C2SC(=O)[N-]C2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000874927566 1199075716 /nfs/dbraw/zinc/07/57/16/1199075716.db2.gz JIPHJXKAKZMFDF-IZZDOVSWSA-N -1 1 330.325 2.319 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CCSCC2)cc1F ZINC000866783881 1201605078 /nfs/dbraw/zinc/60/50/78/1201605078.db2.gz XLHMGHZXTOKNKA-UHFFFAOYSA-N -1 1 348.421 2.464 20 5 EEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cc(Cl)ccn1 ZINC000779925797 1211649166 /nfs/dbraw/zinc/64/91/66/1211649166.db2.gz NLXMFEZAVBOTLM-UHFFFAOYSA-N -1 1 345.739 2.261 20 5 EEBDMM CCOc1cc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)ccc1OC ZINC001212893236 1214379034 /nfs/dbraw/zinc/37/90/34/1214379034.db2.gz SREKDTPBTKWPPP-UHFFFAOYSA-N -1 1 331.288 2.442 20 5 EEBDMM CC[C@H]1CCCCN1C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780072664 1236363068 /nfs/dbraw/zinc/36/30/68/1236363068.db2.gz RQOJFNVBKDHSJQ-LBPRGKRZSA-N -1 1 336.344 2.248 20 5 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VMNMMEBSZKUFRF-LBPRGKRZSA-N -1 1 335.360 2.171 20 5 EEBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000593291063 468930227 /nfs/dbraw/zinc/93/02/27/468930227.db2.gz WVTOFAQQMVAAMD-LBPRGKRZSA-N -1 1 335.360 2.171 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(c2ccccc2)CCC1 ZINC000610211909 469988550 /nfs/dbraw/zinc/98/85/50/469988550.db2.gz HQOQCOXGORJFNP-UHFFFAOYSA-N -1 1 347.396 2.390 20 5 EEBDMM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768862764 577564463 /nfs/dbraw/zinc/56/44/63/577564463.db2.gz YWFAICRQXZTMGT-UHFFFAOYSA-N -1 1 342.354 2.464 20 5 EEBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)NCC1CCCCC1 ZINC000769045090 577567884 /nfs/dbraw/zinc/56/78/84/577567884.db2.gz AEPMTFJIXSUAOV-UHFFFAOYSA-N -1 1 336.344 2.154 20 5 EEBDMM Cc1ccccc1CNC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769048852 577568005 /nfs/dbraw/zinc/56/80/05/577568005.db2.gz SFWMUNXMRKIHAV-UHFFFAOYSA-N -1 1 344.323 2.082 20 5 EEBDMM Cc1ccc(OC[C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000770300388 577593633 /nfs/dbraw/zinc/59/36/33/577593633.db2.gz FZFRJSGVCPGIJW-NSHDSACASA-N -1 1 331.328 2.201 20 5 EEBDMM O=C([N-]c1n[nH]c(-c2ccccn2)n1)c1cc(F)ccc1[N+](=O)[O-] ZINC000751358231 577751086 /nfs/dbraw/zinc/75/10/86/577751086.db2.gz HSZDYUZGSSKWED-UHFFFAOYSA-N -1 1 328.263 2.166 20 5 EEBDMM O=C(NCc1n[nH]c(-c2ccccc2)n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755214055 577821959 /nfs/dbraw/zinc/82/19/59/577821959.db2.gz MUFMGFBVLOQNOG-UHFFFAOYSA-N -1 1 339.311 2.016 20 5 EEBDMM O=C(NCc1nc(-c2ccccc2)n[nH]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755214055 577821960 /nfs/dbraw/zinc/82/19/60/577821960.db2.gz MUFMGFBVLOQNOG-UHFFFAOYSA-N -1 1 339.311 2.016 20 5 EEBDMM O=C([O-])[C@H]1CC12CCN(Cn1ncc3ccc([N+](=O)[O-])cc31)CC2 ZINC000739536068 578057142 /nfs/dbraw/zinc/05/71/42/578057142.db2.gz BXKNJELTWUOQPU-CYBMUJFWSA-N -1 1 330.344 2.089 20 5 EEBDMM CC(C)N(CCC(=O)[O-])CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000736466329 578205878 /nfs/dbraw/zinc/20/58/78/578205878.db2.gz WGPUHQOEKDHRDG-UHFFFAOYSA-N -1 1 343.767 2.372 20 5 EEBDMM O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823445149 607356253 /nfs/dbraw/zinc/35/62/53/607356253.db2.gz UPLGYOLNUAFLCM-UHFFFAOYSA-N -1 1 335.276 2.195 20 5 EEBDMM O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823445149 607356255 /nfs/dbraw/zinc/35/62/55/607356255.db2.gz UPLGYOLNUAFLCM-UHFFFAOYSA-N -1 1 335.276 2.195 20 5 EEBDMM CC(C)C[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820067219 606719053 /nfs/dbraw/zinc/71/90/53/606719053.db2.gz GRGBGZCCILFQFM-LLVKDONJSA-N -1 1 331.380 2.432 20 5 EEBDMM CC(C)C[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820067219 606719054 /nfs/dbraw/zinc/71/90/54/606719054.db2.gz GRGBGZCCILFQFM-LLVKDONJSA-N -1 1 331.380 2.432 20 5 EEBDMM CCOc1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821427772 607160592 /nfs/dbraw/zinc/16/05/92/607160592.db2.gz ZPSDJHZNCLAPFI-UHFFFAOYSA-N -1 1 328.288 2.361 20 5 EEBDMM CCOc1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821427772 607160593 /nfs/dbraw/zinc/16/05/93/607160593.db2.gz ZPSDJHZNCLAPFI-UHFFFAOYSA-N -1 1 328.288 2.361 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCOCC2CC2)cc1F ZINC000866426431 1201514689 /nfs/dbraw/zinc/51/46/89/1201514689.db2.gz BHYRQXCMWUHZSD-UHFFFAOYSA-N -1 1 346.380 2.137 20 5 EEBDMM O=C(NCc1n[nH]c(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779660357 1210718609 /nfs/dbraw/zinc/71/86/09/1210718609.db2.gz COOMOPPWOOMOEC-UHFFFAOYSA-N -1 1 339.311 2.016 20 5 EEBDMM O=C(NCc1nc(-c2ccccc2)n[nH]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779660357 1210718612 /nfs/dbraw/zinc/71/86/12/1210718612.db2.gz COOMOPPWOOMOEC-UHFFFAOYSA-N -1 1 339.311 2.016 20 5 EEBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000779939907 1211911227 /nfs/dbraw/zinc/91/12/27/1211911227.db2.gz NECPNZOWEHWBON-NXEZZACHSA-N -1 1 348.808 2.342 20 5 EEBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ncccc2C(F)(F)F)no1 ZINC001212893919 1214379238 /nfs/dbraw/zinc/37/92/38/1214379238.db2.gz FNFBQNFJRKDLON-UHFFFAOYSA-N -1 1 326.194 2.449 20 5 EEBDMM O=C(NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ncccc1[O-] ZINC001057861806 1248012081 /nfs/dbraw/zinc/01/20/81/1248012081.db2.gz STQIFYOHWMRPRY-UHFFFAOYSA-N -1 1 342.355 2.094 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2C[C@@H](C)O[C@H](C)C2)cc1F ZINC000867041946 1279913474 /nfs/dbraw/zinc/91/34/74/1279913474.db2.gz WPIKUQKODGVSCA-NXEZZACHSA-N -1 1 346.380 2.277 20 5 EEBDMM O=c1c2cc(O[C@H]3CCCOC3=O)c([O-])cc2oc2cccc(O)c12 ZINC001227305877 1301775216 /nfs/dbraw/zinc/77/52/16/1301775216.db2.gz BJIKLCRMUPCWRW-ZDUSSCGKSA-N -1 1 342.303 2.442 20 5 EEBDMM O=[N+]([O-])c1ccccc1N1CCC(Oc2cnnc(=S)[n-]2)CC1 ZINC001228636287 1302349046 /nfs/dbraw/zinc/34/90/46/1302349046.db2.gz KPKDJSJGBBGVCJ-UHFFFAOYSA-N -1 1 333.373 2.116 20 5 EEBDMM CCC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])OC ZINC000831764600 1314610531 /nfs/dbraw/zinc/61/05/31/1314610531.db2.gz YLBIUPHCBDGPKU-JTQLQIEISA-N -1 1 336.797 2.342 20 5 EEBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CS1 ZINC000841558189 1315577184 /nfs/dbraw/zinc/57/71/84/1315577184.db2.gz IHEHSWIRNCFEMH-VXNVDRBHSA-N -1 1 336.822 2.421 20 5 EEBDMM O=C([O-])[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC001608557195 1351715322 /nfs/dbraw/zinc/71/53/22/1351715322.db2.gz LBLVSIXBNOJULL-QNSHHTMESA-N -1 1 334.111 2.328 20 5 EEBDMM COc1cccc([C@@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC001309079551 1331616602 /nfs/dbraw/zinc/61/66/02/1331616602.db2.gz DUJZEZHRQSLPMS-SNVBAGLBSA-N -1 1 337.357 2.038 20 5 EEBDMM CCC[C@@H](O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001309912965 1331647396 /nfs/dbraw/zinc/64/73/96/1331647396.db2.gz XMTPOFMBEPLLNA-SNVBAGLBSA-N -1 1 336.797 2.078 20 5 EEBDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC001609468555 1351989074 /nfs/dbraw/zinc/98/90/74/1351989074.db2.gz ZHXWAZXNKXVMIS-UHFFFAOYSA-N -1 1 332.251 2.068 20 5 EEBDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC001609468555 1351989076 /nfs/dbraw/zinc/98/90/76/1351989076.db2.gz ZHXWAZXNKXVMIS-UHFFFAOYSA-N -1 1 332.251 2.068 20 5 EEBDMM O=[N+]([O-])c1ccc(CNc2nc(Cl)c(-c3nnn[n-]3)s2)cc1 ZINC001609601187 1352030702 /nfs/dbraw/zinc/03/07/02/1352030702.db2.gz FFKKEIUCEFPQPA-UHFFFAOYSA-N -1 1 337.752 2.497 20 5 EEBDMM O=[N+]([O-])c1ccc(CNc2nc(Cl)c(-c3nn[n-]n3)s2)cc1 ZINC001609601187 1352030708 /nfs/dbraw/zinc/03/07/08/1352030708.db2.gz FFKKEIUCEFPQPA-UHFFFAOYSA-N -1 1 337.752 2.497 20 5 EEBDMM O=[N+]([O-])c1cc(N2CCC[C@@H]2[C@H]2CCCOC2)ccc1-c1nn[n-]n1 ZINC001609600958 1352030915 /nfs/dbraw/zinc/03/09/15/1352030915.db2.gz LAOHQLQGIWPWRV-SMDDNHRTSA-N -1 1 344.375 2.170 20 5 EEBDMM C[C@@H]1CSCCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001609876636 1352108978 /nfs/dbraw/zinc/10/89/78/1352108978.db2.gz JQLARGDGNWJBPR-NSHDSACASA-N -1 1 340.401 2.243 20 5 EEBDMM Cc1nc(NCc2cc([N+](=O)[O-])ccc2Cl)cc(-c2nnn[n-]2)n1 ZINC001581526215 1344634473 /nfs/dbraw/zinc/63/44/73/1344634473.db2.gz NGAFFTVPMVIVNE-UHFFFAOYSA-N -1 1 346.738 2.139 20 5 EEBDMM Cc1nc(NCc2cc([N+](=O)[O-])ccc2Cl)cc(-c2nn[n-]n2)n1 ZINC001581526215 1344634476 /nfs/dbraw/zinc/63/44/76/1344634476.db2.gz NGAFFTVPMVIVNE-UHFFFAOYSA-N -1 1 346.738 2.139 20 5 EEBDMM CC(C)(C)[C@@H]1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001589105112 1348960550 /nfs/dbraw/zinc/96/05/50/1348960550.db2.gz PJIGGDBMYDOMNQ-ZDUSSCGKSA-N -1 1 346.391 2.416 20 5 EEBDMM CC(C)(C)[C@@H]1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001589105112 1348960553 /nfs/dbraw/zinc/96/05/53/1348960553.db2.gz PJIGGDBMYDOMNQ-ZDUSSCGKSA-N -1 1 346.391 2.416 20 5 EEBDMM CC(C)[C@@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCS1 ZINC001589517604 1348999663 /nfs/dbraw/zinc/99/96/63/1348999663.db2.gz MQBASADMLQFALB-JTQLQIEISA-N -1 1 340.434 2.414 20 5 EEBDMM CC(C)[C@@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCS1 ZINC001589517604 1348999667 /nfs/dbraw/zinc/99/96/67/1348999667.db2.gz MQBASADMLQFALB-JTQLQIEISA-N -1 1 340.434 2.414 20 5 EEBDMM CC(C)n1ccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)n1 ZINC001589782711 1349039873 /nfs/dbraw/zinc/03/98/73/1349039873.db2.gz XSBYSKDDPVGQRS-UHFFFAOYSA-N -1 1 328.336 2.164 20 5 EEBDMM CC(C)n1ccc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)n1 ZINC001589782711 1349039878 /nfs/dbraw/zinc/03/98/78/1349039878.db2.gz XSBYSKDDPVGQRS-UHFFFAOYSA-N -1 1 328.336 2.164 20 5 EEBDMM C[C@@H](NC(=O)c1ccsc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC001591729827 1349536982 /nfs/dbraw/zinc/53/69/82/1349536982.db2.gz LVOWNDIPEPUXJK-MRVPVSSYSA-N -1 1 344.356 2.327 20 5 EEBDMM C[C@@H](NC(=O)c1ccsc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC001591729827 1349536992 /nfs/dbraw/zinc/53/69/92/1349536992.db2.gz LVOWNDIPEPUXJK-MRVPVSSYSA-N -1 1 344.356 2.327 20 5 EEBDMM Cc1cc(NC[C@@H](O)C2CCCCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592042107 1349587396 /nfs/dbraw/zinc/58/73/96/1349587396.db2.gz XRJXNANYXGZNSR-CQSZACIVSA-N -1 1 346.391 2.436 20 5 EEBDMM Cc1cc(NC[C@@H](O)C2CCCCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592042107 1349587399 /nfs/dbraw/zinc/58/73/99/1349587399.db2.gz XRJXNANYXGZNSR-CQSZACIVSA-N -1 1 346.391 2.436 20 5 EEBDMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001593245001 1349749061 /nfs/dbraw/zinc/74/90/61/1349749061.db2.gz BMCDJFZRRZGUOV-UHFFFAOYSA-N -1 1 345.706 2.076 20 5 EEBDMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001593245001 1349749066 /nfs/dbraw/zinc/74/90/66/1349749066.db2.gz BMCDJFZRRZGUOV-UHFFFAOYSA-N -1 1 345.706 2.076 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1SC[C@@H]1CC1(Cl)Cl ZINC001593465095 1349802009 /nfs/dbraw/zinc/80/20/09/1349802009.db2.gz AXXRMQDTPBGOTM-YFKPBYRVSA-N -1 1 347.187 2.456 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1SC[C@@H]1CC1(Cl)Cl ZINC001593465095 1349802013 /nfs/dbraw/zinc/80/20/13/1349802013.db2.gz AXXRMQDTPBGOTM-YFKPBYRVSA-N -1 1 347.187 2.456 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC=C(c2ccccc2)C1 ZINC001593466793 1349803012 /nfs/dbraw/zinc/80/30/12/1349803012.db2.gz XNALQHIQKMMUBF-UHFFFAOYSA-N -1 1 349.354 2.464 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC=C(c2ccccc2)C1 ZINC001593466793 1349803016 /nfs/dbraw/zinc/80/30/16/1349803016.db2.gz XNALQHIQKMMUBF-UHFFFAOYSA-N -1 1 349.354 2.464 20 5 EEBDMM O=[N+]([O-])c1cc(N2CC(Oc3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC001593470240 1349806092 /nfs/dbraw/zinc/80/60/92/1349806092.db2.gz BEYPBAYZQCGGRG-UHFFFAOYSA-N -1 1 338.327 2.043 20 5 EEBDMM O=[N+]([O-])c1ccc(N[C@@H](C2CC2)[C@@H]2CCCOC2)cc1-c1nnn[n-]1 ZINC001593478776 1349811907 /nfs/dbraw/zinc/81/19/07/1349811907.db2.gz MFKHDYHVRAQDOI-ABAIWWIYSA-N -1 1 344.375 2.392 20 5 EEBDMM O=[N+]([O-])c1ccc(N[C@@H](C2CC2)[C@@H]2CCCOC2)cc1-c1nn[n-]n1 ZINC001593478776 1349811910 /nfs/dbraw/zinc/81/19/10/1349811910.db2.gz MFKHDYHVRAQDOI-ABAIWWIYSA-N -1 1 344.375 2.392 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2C2CCOCC2)cc1-c1nnn[n-]1 ZINC001593479183 1349812340 /nfs/dbraw/zinc/81/23/40/1349812340.db2.gz SWYBBHLZZCHWKU-CQSZACIVSA-N -1 1 344.375 2.170 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2C2CCOCC2)cc1-c1nn[n-]n1 ZINC001593479183 1349812344 /nfs/dbraw/zinc/81/23/44/1349812344.db2.gz SWYBBHLZZCHWKU-CQSZACIVSA-N -1 1 344.375 2.170 20 5 EEBDMM O=C([O-])[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccccc21 ZINC001601845684 1350378990 /nfs/dbraw/zinc/37/89/90/1350378990.db2.gz CJMVCJUARADSDJ-CYBMUJFWSA-N -1 1 328.280 2.129 20 5 EEBDMM C[C@]1(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCCC[C@@H]1O ZINC001603807231 1350772814 /nfs/dbraw/zinc/77/28/14/1350772814.db2.gz OTGBMIUCPJCNJZ-DZGCQCFKSA-N -1 1 332.364 2.128 20 5 EEBDMM CCC(CC)(CCO)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604019150 1350830427 /nfs/dbraw/zinc/83/04/27/1350830427.db2.gz KFGBOFLYWRWKRA-UHFFFAOYSA-N -1 1 334.380 2.376 20 5 EEBDMM CCCN1CCCC[C@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001605324449 1351136884 /nfs/dbraw/zinc/13/68/84/1351136884.db2.gz FOXYHLQVYDXBIA-AWEZNQCLSA-N -1 1 335.360 2.496 20 5 EEBDMM O=[N+]([O-])c1c(NC[C@H]2CC3(CCC3)CO2)cccc1-c1nnn[n-]1 ZINC001607078115 1351407783 /nfs/dbraw/zinc/40/77/83/1351407783.db2.gz KOWLHCGLFWWSMQ-SNVBAGLBSA-N -1 1 330.348 2.146 20 5 EEBDMM O=[N+]([O-])c1c(NC[C@H]2CC3(CCC3)CO2)cccc1-c1nn[n-]n1 ZINC001607078115 1351407787 /nfs/dbraw/zinc/40/77/87/1351407787.db2.gz KOWLHCGLFWWSMQ-SNVBAGLBSA-N -1 1 330.348 2.146 20 5 EEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccoc2)cc1Cl ZINC000809810404 783378245 /nfs/dbraw/zinc/37/82/45/783378245.db2.gz WXVVFAULLXXNEZ-UHFFFAOYSA-N -1 1 334.712 2.459 20 5 EEBDMM O=C([O-])[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000062133469 957599625 /nfs/dbraw/zinc/59/96/25/957599625.db2.gz KRXKBYSRRPVQSQ-VIFPVBQESA-N -1 1 329.150 2.264 20 5 EEBDMM C[C@@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000826008815 978943854 /nfs/dbraw/zinc/94/38/54/978943854.db2.gz OIYXFEPEPDGVOM-NSHDSACASA-N -1 1 335.360 2.496 20 5 EEBDMM CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000368202692 283204785 /nfs/dbraw/zinc/20/47/85/283204785.db2.gz ROGWZFGYOJCYEV-LSDHHAIUSA-N -1 1 341.367 2.128 20 5 EEBDMM CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1(C(=O)[O-])CCCCC1 ZINC000191281883 239013499 /nfs/dbraw/zinc/01/34/99/239013499.db2.gz OFOJCBMXBQWKGM-UHFFFAOYSA-N -1 1 346.343 2.331 20 5 EEBDMM CSc1ccc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000438509037 242024945 /nfs/dbraw/zinc/02/49/45/242024945.db2.gz OFKJSOIALQDATE-UHFFFAOYSA-N -1 1 333.369 2.390 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCC(C)(C)C2)c([N+](=O)[O-])n1 ZINC000442761359 242110447 /nfs/dbraw/zinc/11/04/47/242110447.db2.gz PQVWZQBRZGRBQF-SNVBAGLBSA-N -1 1 330.410 2.058 20 5 EEBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000132995768 533479343 /nfs/dbraw/zinc/47/93/43/533479343.db2.gz BMNUPOJYADRRPV-SECBINFHSA-N -1 1 348.808 2.342 20 5 EEBDMM C[N@H+](CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000356623198 141028166 /nfs/dbraw/zinc/02/81/66/141028166.db2.gz UCKMYKSMZXGGRO-UHFFFAOYSA-N -1 1 347.346 2.301 20 5 EEBDMM COC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000180388314 292122489 /nfs/dbraw/zinc/12/24/89/292122489.db2.gz LJZNDFBELXRLAC-UHFFFAOYSA-N -1 1 334.781 2.096 20 5 EEBDMM Cc1[nH]nc(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)c1[N+](=O)[O-] ZINC000355831070 153158873 /nfs/dbraw/zinc/15/88/73/153158873.db2.gz NMJRXNZLFJEMSI-UHFFFAOYSA-N -1 1 347.722 2.317 20 5 EEBDMM Cc1ncc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000098039072 159249469 /nfs/dbraw/zinc/24/94/69/159249469.db2.gz VKKVNGCUBBQFAI-UHFFFAOYSA-N -1 1 347.805 2.492 20 5 EEBDMM O=C(NCc1cccc(-c2ncc[nH]2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000342031811 161033464 /nfs/dbraw/zinc/03/34/64/161033464.db2.gz DLMADWPSWIUXAF-UHFFFAOYSA-N -1 1 339.311 2.016 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-]CC2(C)CCCCCC2)c([N+](=O)[O-])n1 ZINC000345262001 161286212 /nfs/dbraw/zinc/28/62/12/161286212.db2.gz WAFXHBOWIQHCQY-UHFFFAOYSA-N -1 1 344.437 2.450 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](COc2ccccc2)C1 ZINC000272523189 268986626 /nfs/dbraw/zinc/98/66/26/268986626.db2.gz ABCICJDXJRWMOO-LBPRGKRZSA-N -1 1 343.339 2.237 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](CO)CC1CCC1 ZINC000280264580 269344390 /nfs/dbraw/zinc/34/43/90/269344390.db2.gz OGLXPYBMOMBHKR-SNVBAGLBSA-N -1 1 348.808 2.078 20 5 EEBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ncc[nH]1 ZINC000288942640 275092374 /nfs/dbraw/zinc/09/23/74/275092374.db2.gz OFSSTIPIUKIJMN-NSHDSACASA-N -1 1 342.352 2.133 20 5 EEBDMM Cc1ccc(O[C@H](C)CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000440262296 315121973 /nfs/dbraw/zinc/12/19/73/315121973.db2.gz BMZYYXVPJZJPTD-LLVKDONJSA-N -1 1 331.328 2.201 20 5 EEBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000444846902 315329123 /nfs/dbraw/zinc/32/91/23/315329123.db2.gz IEXSJHYAFOZCMI-UHFFFAOYSA-N -1 1 341.283 2.043 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCc2ccc(F)cc21 ZINC000525174719 317043068 /nfs/dbraw/zinc/04/30/68/317043068.db2.gz KCLFQHUZOBYPNK-LBPRGKRZSA-N -1 1 337.332 2.095 20 5 EEBDMM Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525186252 317043689 /nfs/dbraw/zinc/04/36/89/317043689.db2.gz RIOALOKQCVHNOW-ZDUSSCGKSA-N -1 1 333.369 2.264 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cc2ccccc2o1 ZINC000525699938 317069087 /nfs/dbraw/zinc/06/90/87/317069087.db2.gz PDTHBOOXVRPRRM-UHFFFAOYSA-N -1 1 333.325 2.215 20 5 EEBDMM O=C([O-])[C@@]1(NCc2ccc([N+](=O)[O-])cc2)CCOc2ccccc21 ZINC000336877827 465071942 /nfs/dbraw/zinc/07/19/42/465071942.db2.gz XHQJKXDXUCLQRD-QGZVFWFLSA-N -1 1 328.324 2.447 20 5 EEBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000339122730 465094694 /nfs/dbraw/zinc/09/46/94/465094694.db2.gz MPVJJZNZPZPMJS-UHFFFAOYSA-N -1 1 341.283 2.043 20 5 EEBDMM CCOC(=O)c1ccnc([N-]c2cnn(CC(F)F)c2)c1[N+](=O)[O-] ZINC000150845203 463438948 /nfs/dbraw/zinc/43/89/48/463438948.db2.gz FQPHVGBOOROIII-UHFFFAOYSA-N -1 1 341.274 2.372 20 5 EEBDMM Cc1nn(C)c(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c1[N+](=O)[O-] ZINC000186280982 463967622 /nfs/dbraw/zinc/96/76/22/463967622.db2.gz VJYAQQGWZVRGAG-SECBINFHSA-N -1 1 330.344 2.496 20 5 EEBDMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000195077625 463987247 /nfs/dbraw/zinc/98/72/47/463987247.db2.gz OPXNPSHHFXWOMI-VIFPVBQESA-N -1 1 348.384 2.360 20 5 EEBDMM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000175629597 464590669 /nfs/dbraw/zinc/59/06/69/464590669.db2.gz UYWNWYQSXRPOOJ-SECBINFHSA-N -1 1 327.387 2.399 20 5 EEBDMM O=C([O-])c1cc(NS(=O)(=O)c2cccc(F)c2)cc([N+](=O)[O-])c1 ZINC000362277664 465623994 /nfs/dbraw/zinc/62/39/94/465623994.db2.gz KVYINTAXXVWPDN-UHFFFAOYSA-N -1 1 340.288 2.233 20 5 EEBDMM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000331218302 465985390 /nfs/dbraw/zinc/98/53/90/465985390.db2.gz HGMHHKKOXPWQBY-QWRGUYRKSA-N -1 1 330.410 2.058 20 5 EEBDMM COC(=O)c1ccc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)o1 ZINC000432659734 467256199 /nfs/dbraw/zinc/25/61/99/467256199.db2.gz QGWODXWILKIZRA-UHFFFAOYSA-N -1 1 348.267 2.013 20 5 EEBDMM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000533203276 468180724 /nfs/dbraw/zinc/18/07/24/468180724.db2.gz UTYHEHNMTNPZKI-RYUDHWBXSA-N -1 1 335.360 2.109 20 5 EEBDMM Cc1c(NC(=O)[C@H](C)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000600702280 468625876 /nfs/dbraw/zinc/62/58/76/468625876.db2.gz NFFGNVGLGAFFPE-DRZSPHRISA-N -1 1 349.387 2.273 20 5 EEBDMM CC1(C(=O)[O-])CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000592423100 468694727 /nfs/dbraw/zinc/69/47/27/468694727.db2.gz KWXZRILUZPHDHB-UHFFFAOYSA-N -1 1 336.344 2.053 20 5 EEBDMM Cc1cc(C[C@@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n[nH]1 ZINC000584353437 468853786 /nfs/dbraw/zinc/85/37/86/468853786.db2.gz YTYBSANMFQQUJO-SSDOTTSWSA-N -1 1 338.751 2.346 20 5 EEBDMM Cc1cc(=O)[nH]c(C(C)(C)NCCOc2ccccc2[N+](=O)[O-])n1 ZINC000595516767 468884390 /nfs/dbraw/zinc/88/43/90/468884390.db2.gz AWWPCTNFPWMZCD-UHFFFAOYSA-N -1 1 332.360 2.303 20 5 EEBDMM COc1cc(CNCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])cc1O ZINC000617338533 469649473 /nfs/dbraw/zinc/64/94/73/469649473.db2.gz SWQVVXQMFBTHNQ-UHFFFAOYSA-N -1 1 332.312 2.297 20 5 EEBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000769050992 577568113 /nfs/dbraw/zinc/56/81/13/577568113.db2.gz ZPNVCFUJFKOWJN-LLVKDONJSA-N -1 1 344.323 2.162 20 5 EEBDMM CCOC(=O)c1c[n-]c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000752976926 577779431 /nfs/dbraw/zinc/77/94/31/577779431.db2.gz PPUSCQWCOFWAIA-UHFFFAOYSA-N -1 1 338.707 2.400 20 5 EEBDMM CC(C)c1ncc(S(=O)(=O)Oc2ccc(C=O)cc2[N+](=O)[O-])[n-]1 ZINC000747233479 577941517 /nfs/dbraw/zinc/94/15/17/577941517.db2.gz KJWRZAZKYOTVIS-UHFFFAOYSA-N -1 1 339.329 2.022 20 5 EEBDMM CC(C)c1nc(S(=O)(=O)Oc2ccc(C=O)cc2[N+](=O)[O-])c[n-]1 ZINC000747233479 577941518 /nfs/dbraw/zinc/94/15/18/577941518.db2.gz KJWRZAZKYOTVIS-UHFFFAOYSA-N -1 1 339.329 2.022 20 5 EEBDMM O=C([O-])C1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000738545096 578018953 /nfs/dbraw/zinc/01/89/53/578018953.db2.gz RCTMTUXOGYBYFV-UHFFFAOYSA-N -1 1 330.344 2.212 20 5 EEBDMM CCC(CC)[C@H](CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])OC ZINC000825097099 607564478 /nfs/dbraw/zinc/56/44/78/607564478.db2.gz TULXNGFRDUAJIE-LBPRGKRZSA-N -1 1 349.395 2.423 20 5 EEBDMM CCC(CC)[C@H](CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])OC ZINC000825097099 607564480 /nfs/dbraw/zinc/56/44/80/607564480.db2.gz TULXNGFRDUAJIE-LBPRGKRZSA-N -1 1 349.395 2.423 20 5 EEBDMM O=C([O-])C=Cc1ccc(N[C@@H]2CCc3[nH]cnc3C2)c([N+](=O)[O-])c1 ZINC000833196818 604810489 /nfs/dbraw/zinc/81/04/89/604810489.db2.gz FCJMMDIHRQZSKA-SZHMKSFOSA-N -1 1 328.328 2.385 20 5 EEBDMM C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1ccccc1 ZINC000820281139 606710561 /nfs/dbraw/zinc/71/05/61/606710561.db2.gz RZFFFZHWSPJYFI-SNVBAGLBSA-N -1 1 341.331 2.049 20 5 EEBDMM C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1ccccc1 ZINC000820281139 606710563 /nfs/dbraw/zinc/71/05/63/606710563.db2.gz RZFFFZHWSPJYFI-SNVBAGLBSA-N -1 1 341.331 2.049 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PPPGXWUPGMRKPR-UHFFFAOYSA-N -1 1 341.414 2.307 20 5 EEBDMM Cc1csc(CCCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000187068099 534801565 /nfs/dbraw/zinc/80/15/65/534801565.db2.gz HCAKBPMLDHCJQD-UHFFFAOYSA-N -1 1 336.373 2.213 20 5 EEBDMM C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769049658 577568111 /nfs/dbraw/zinc/56/81/11/577568111.db2.gz PZNKNVGRMYTLFB-QMTHXVAHSA-N -1 1 336.344 2.152 20 5 EEBDMM O=C([O-])NCc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000833281703 604603043 /nfs/dbraw/zinc/60/30/43/604603043.db2.gz LGLNNCITAAKFEN-UHFFFAOYSA-N -1 1 331.284 2.320 20 5 EEBDMM O=[N+]([O-])c1cc(NCCc2ccc(O)cc2)ccc1-c1nn[n-]n1 ZINC000823634143 606646224 /nfs/dbraw/zinc/64/62/24/606646224.db2.gz AZIDAOFWLUYCSG-UHFFFAOYSA-N -1 1 326.316 2.135 20 5 EEBDMM COc1ccc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821846514 607162786 /nfs/dbraw/zinc/16/27/86/607162786.db2.gz TVQPGTJSCAOIKT-UHFFFAOYSA-N -1 1 330.329 2.330 20 5 EEBDMM COc1ccc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821846514 607162787 /nfs/dbraw/zinc/16/27/87/607162787.db2.gz TVQPGTJSCAOIKT-UHFFFAOYSA-N -1 1 330.329 2.330 20 5 EEBDMM O=[N+]([O-])c1ccccc1OCCOc1cccc(F)c1-c1nnn[n-]1 ZINC000826501081 607865593 /nfs/dbraw/zinc/86/55/93/607865593.db2.gz YNRYVCHREZKUED-UHFFFAOYSA-N -1 1 345.290 2.372 20 5 EEBDMM O=[N+]([O-])c1ccccc1OCCOc1cccc(F)c1-c1nn[n-]n1 ZINC000826501081 607865594 /nfs/dbraw/zinc/86/55/94/607865594.db2.gz YNRYVCHREZKUED-UHFFFAOYSA-N -1 1 345.290 2.372 20 5 EEBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc(C3OCCO3)cc2)no1 ZINC001212892922 1214379722 /nfs/dbraw/zinc/37/97/22/1214379722.db2.gz CMXMKJSHNMBEBE-UHFFFAOYSA-N -1 1 329.272 2.080 20 5 EEBDMM O=c1cc(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)[nH]c(=S)[n-]1 ZINC001225764486 1301150324 /nfs/dbraw/zinc/15/03/24/1301150324.db2.gz FNLWDJWQLKIGLV-VIFPVBQESA-N -1 1 334.357 2.037 20 5 EEBDMM O=c1nc2nc[nH]c2c(Nc2nc(Cl)c(Cl)cc2[N+](=O)[O-])[n-]1 ZINC001159192235 1319669240 /nfs/dbraw/zinc/66/92/40/1319669240.db2.gz LKICSQWNSVJXPF-UHFFFAOYSA-N -1 1 342.102 2.412 20 5 EEBDMM Cc1cc(F)ccc1[C@@H](C)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001309837779 1331643675 /nfs/dbraw/zinc/64/36/75/1331643675.db2.gz LFMBABUJGFLMLE-SNVBAGLBSA-N -1 1 339.348 2.477 20 5 EEBDMM Nc1cc(NCCc2ccc(F)cc2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609510959 1352001613 /nfs/dbraw/zinc/00/16/13/1352001613.db2.gz PVXVRPHVBYBRLC-UHFFFAOYSA-N -1 1 343.322 2.151 20 5 EEBDMM Nc1cc(NCCc2ccc(F)cc2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609510959 1352001617 /nfs/dbraw/zinc/00/16/17/1352001617.db2.gz PVXVRPHVBYBRLC-UHFFFAOYSA-N -1 1 343.322 2.151 20 5 EEBDMM O=C([O-])COc1ccc(CNCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC001610787067 1352274275 /nfs/dbraw/zinc/27/42/75/1352274275.db2.gz ZKWSELLCNLXKNU-UHFFFAOYSA-N -1 1 334.303 2.487 20 5 EEBDMM C[C@@H](C(=O)c1cccc(Cl)c1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001589033020 1348953786 /nfs/dbraw/zinc/95/37/86/1348953786.db2.gz UBOROGCWMQPKEO-ZETCQYMHSA-N -1 1 347.722 2.069 20 5 EEBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC2(CCCC2)O1 ZINC001590315440 1349261411 /nfs/dbraw/zinc/26/14/11/1349261411.db2.gz MGAVBIDUNLUZHS-LLVKDONJSA-N -1 1 344.375 2.313 20 5 EEBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC2(CCCC2)O1 ZINC001590315440 1349261417 /nfs/dbraw/zinc/26/14/17/1349261417.db2.gz MGAVBIDUNLUZHS-LLVKDONJSA-N -1 1 344.375 2.313 20 5 EEBDMM Cc1cc(NC[C@H]2CCC[C@@H](O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592044609 1349587060 /nfs/dbraw/zinc/58/70/60/1349587060.db2.gz QCBQBCSJAWJKHL-CMPLNLGQSA-N -1 1 332.364 2.046 20 5 EEBDMM Cc1cc(NC[C@H]2CCC[C@@H](O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592044609 1349587063 /nfs/dbraw/zinc/58/70/63/1349587063.db2.gz QCBQBCSJAWJKHL-CMPLNLGQSA-N -1 1 332.364 2.046 20 5 EEBDMM O=[N+]([O-])c1cnc(SC[C@H]2CC2(Cl)Cl)c(-c2nn[n-]n2)c1 ZINC001593486912 1349814928 /nfs/dbraw/zinc/81/49/28/1349814928.db2.gz CSBZJSKGLHRGJO-RXMQYKEDSA-N -1 1 347.187 2.456 20 5 EEBDMM O=C([O-])[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]12 ZINC001601825102 1350373543 /nfs/dbraw/zinc/37/35/43/1350373543.db2.gz XZDOMEHUBBKJGG-RRFJBIMHSA-N -1 1 348.355 2.406 20 5 EEBDMM CC(C)(CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])OCC1CC1 ZINC001603150984 1350650458 /nfs/dbraw/zinc/65/04/58/1350650458.db2.gz BBTLRFAMSGQCFX-UHFFFAOYSA-N -1 1 332.364 2.392 20 5 EEBDMM CC(C)(CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])OCC1CC1 ZINC001603150984 1350650463 /nfs/dbraw/zinc/65/04/63/1350650463.db2.gz BBTLRFAMSGQCFX-UHFFFAOYSA-N -1 1 332.364 2.392 20 5 EEBDMM CC(C)[C@@H](O)C1(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001603231513 1350666809 /nfs/dbraw/zinc/66/68/09/1350666809.db2.gz WNSBGAOMLUOEAB-SNVBAGLBSA-N -1 1 338.393 2.045 20 5 EEBDMM CC(C)[C@@H](O)C1(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001603231513 1350666813 /nfs/dbraw/zinc/66/68/13/1350666813.db2.gz WNSBGAOMLUOEAB-SNVBAGLBSA-N -1 1 338.393 2.045 20 5 EEBDMM CC(C)C1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001603244931 1350669806 /nfs/dbraw/zinc/66/98/06/1350669806.db2.gz ASLSTLUHEXWYBO-UHFFFAOYSA-N -1 1 331.380 2.230 20 5 EEBDMM CC(C)C1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001603244931 1350669812 /nfs/dbraw/zinc/66/98/12/1350669812.db2.gz ASLSTLUHEXWYBO-UHFFFAOYSA-N -1 1 331.380 2.230 20 5 EEBDMM C[C@H]1C[C@@H](CCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001603850933 1350782435 /nfs/dbraw/zinc/78/24/35/1350782435.db2.gz NJIPQRWVJBOIGF-QWRGUYRKSA-N -1 1 332.364 2.392 20 5 EEBDMM C[C@H]1C[C@@H](CCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001603850933 1350782440 /nfs/dbraw/zinc/78/24/40/1350782440.db2.gz NJIPQRWVJBOIGF-QWRGUYRKSA-N -1 1 332.364 2.392 20 5 EEBDMM CCc1cnc(CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])s1 ZINC001604537224 1350957070 /nfs/dbraw/zinc/95/70/70/1350957070.db2.gz GLAJFIHFMXMXKO-UHFFFAOYSA-N -1 1 345.388 2.448 20 5 EEBDMM CCc1cnc(CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])s1 ZINC001604537224 1350957073 /nfs/dbraw/zinc/95/70/73/1350957073.db2.gz GLAJFIHFMXMXKO-UHFFFAOYSA-N -1 1 345.388 2.448 20 5 EEBDMM O=[N+]([O-])c1c(NC[C@@H]2CC3(CCC3)CO2)cccc1-c1nnn[n-]1 ZINC001607078114 1351407619 /nfs/dbraw/zinc/40/76/19/1351407619.db2.gz KOWLHCGLFWWSMQ-JTQLQIEISA-N -1 1 330.348 2.146 20 5 EEBDMM O=[N+]([O-])c1c(NC[C@@H]2CC3(CCC3)CO2)cccc1-c1nn[n-]n1 ZINC001607078114 1351407623 /nfs/dbraw/zinc/40/76/23/1351407623.db2.gz KOWLHCGLFWWSMQ-JTQLQIEISA-N -1 1 330.348 2.146 20 5 EEBDMM O=[N+]([O-])c1cc(NCc2cn3ccsc3n2)ccc1-c1nn[n-]n1 ZINC001607078981 1351408445 /nfs/dbraw/zinc/40/84/45/1351408445.db2.gz DBQYDCJUMMVBJL-UHFFFAOYSA-N -1 1 342.344 2.096 20 5 EEBDMM O=[N+]([O-])c1ccc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC001607081136 1351409378 /nfs/dbraw/zinc/40/93/78/1351409378.db2.gz DHMDMBDVXBRELO-UHFFFAOYSA-N -1 1 341.287 2.295 20 5 EEBDMM O=[N+]([O-])c1ccc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC001607081136 1351409380 /nfs/dbraw/zinc/40/93/80/1351409380.db2.gz DHMDMBDVXBRELO-UHFFFAOYSA-N -1 1 341.287 2.295 20 5 EEBDMM O=[N+]([O-])c1ccc(NC[C@@H](O)c2cccc(F)c2)cc1-c1nnn[n-]1 ZINC001607082009 1351410429 /nfs/dbraw/zinc/41/04/29/1351410429.db2.gz JJIKGBAHJIKNBK-CQSZACIVSA-N -1 1 344.306 2.060 20 5 EEBDMM O=[N+]([O-])c1ccc(NC[C@@H](O)c2cccc(F)c2)cc1-c1nn[n-]n1 ZINC001607082009 1351410430 /nfs/dbraw/zinc/41/04/30/1351410430.db2.gz JJIKGBAHJIKNBK-CQSZACIVSA-N -1 1 344.306 2.060 20 5 EEBDMM C[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000819565843 785608109 /nfs/dbraw/zinc/60/81/09/785608109.db2.gz MCDRKTKDGVZWFV-RCOVLWMOSA-N -1 1 342.220 2.115 20 5 EEBDMM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000132476789 799777183 /nfs/dbraw/zinc/77/71/83/799777183.db2.gz WTPPREXBPQAZOI-SFYZADRCSA-N -1 1 349.206 2.292 20 5 EEBDMM O=C([O-])C[C@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001594993418 951058314 /nfs/dbraw/zinc/05/83/14/951058314.db2.gz ITYSFGHRGJFELO-LLVKDONJSA-N -1 1 346.343 2.332 20 5 EEBDMM CC(C)n1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cn1 ZINC000270732910 256165573 /nfs/dbraw/zinc/16/55/73/256165573.db2.gz YUHGQQBJQKMHGO-UHFFFAOYSA-N -1 1 328.325 2.312 20 5 EEBDMM C[C@]1(c2ccccc2)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCO1 ZINC000185844571 160049959 /nfs/dbraw/zinc/04/99/59/160049959.db2.gz JHNPQKYTNGFUDD-QGZVFWFLSA-N -1 1 343.339 2.083 20 5 EEBDMM O=C(NCC1(c2ccc(F)cc2F)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000342508403 161070786 /nfs/dbraw/zinc/07/07/86/161070786.db2.gz IPVXMWMWRFNJPJ-UHFFFAOYSA-N -1 1 349.293 2.435 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000163975229 226034387 /nfs/dbraw/zinc/03/43/87/226034387.db2.gz UACQPSWRBQVCJF-ZDUSSCGKSA-N -1 1 342.355 2.412 20 5 EEBDMM CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)OC ZINC000289673057 275137876 /nfs/dbraw/zinc/13/78/76/275137876.db2.gz WSLWGOLEJDTZFO-ZETCQYMHSA-N -1 1 340.760 2.091 20 5 EEBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 ZINC000294450552 293457155 /nfs/dbraw/zinc/45/71/55/293457155.db2.gz ZQBGOMGNLZTRFP-ISVAXAHUSA-N -1 1 349.368 2.189 20 5 EEBDMM COC(=O)c1ccc(O)c(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000436688056 314988672 /nfs/dbraw/zinc/98/86/72/314988672.db2.gz SMEKLHGCWCAEIU-UHFFFAOYSA-N -1 1 332.268 2.045 20 5 EEBDMM O=C(NCc1c(F)cccc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444861520 315329738 /nfs/dbraw/zinc/32/97/38/315329738.db2.gz STXWXYSFPYIWHK-UHFFFAOYSA-N -1 1 325.683 2.418 20 5 EEBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn(-c3ccccn3)c2)n1 ZINC000557586329 318685350 /nfs/dbraw/zinc/68/53/50/318685350.db2.gz CMWWJDDNVHLSPX-UHFFFAOYSA-N -1 1 340.299 2.101 20 5 EEBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000611233658 449229867 /nfs/dbraw/zinc/22/98/67/449229867.db2.gz RIZYDSSKGPLRLR-UHFFFAOYSA-N -1 1 344.356 2.023 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCCC2(C)C)c([N+](=O)[O-])n1 ZINC000339041860 465045808 /nfs/dbraw/zinc/04/58/08/465045808.db2.gz POADSQOTJIIZOX-NSHDSACASA-N -1 1 330.410 2.058 20 5 EEBDMM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)no1 ZINC000063186674 462631285 /nfs/dbraw/zinc/63/12/85/462631285.db2.gz BSUHVKTUSJQNIH-UHFFFAOYSA-N -1 1 345.764 2.332 20 5 EEBDMM Cc1ccnc([C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000349448000 466111353 /nfs/dbraw/zinc/11/13/53/466111353.db2.gz DYYYVWQLKANKHB-CQSZACIVSA-N -1 1 348.384 2.123 20 5 EEBDMM Cc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nnn1Cc1ccccc1F ZINC000338663393 466301231 /nfs/dbraw/zinc/30/12/31/466301231.db2.gz PRLBTWRKNQLBLQ-UHFFFAOYSA-N -1 1 344.306 2.263 20 5 EEBDMM COc1ccc(F)cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000350281290 466447164 /nfs/dbraw/zinc/44/71/64/466447164.db2.gz WBFHYMOPHYWDJU-UHFFFAOYSA-N -1 1 342.304 2.249 20 5 EEBDMM CCc1cc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])on1 ZINC000531938814 468085939 /nfs/dbraw/zinc/08/59/39/468085939.db2.gz IMSWRVHOAXAQCM-UHFFFAOYSA-N -1 1 339.373 2.241 20 5 EEBDMM COc1ccc(-c2nnc([N-]C(=O)c3c[nH]nc3[N+](=O)[O-])s2)cc1 ZINC000562399786 468951055 /nfs/dbraw/zinc/95/10/55/468951055.db2.gz IVCFWJBCGYJKTJ-UHFFFAOYSA-N -1 1 346.328 2.097 20 5 EEBDMM CC[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000610212275 469988173 /nfs/dbraw/zinc/98/81/73/469988173.db2.gz RTPYJTDBNGWINT-LBPRGKRZSA-N -1 1 335.385 2.462 20 5 EEBDMM C[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Cc1cccs1 ZINC000610266064 469997019 /nfs/dbraw/zinc/99/70/19/469997019.db2.gz LYPLYWWUARFHSZ-JTQLQIEISA-N -1 1 341.414 2.208 20 5 EEBDMM CC(C)N(C)c1ccccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000438480905 535032437 /nfs/dbraw/zinc/03/24/37/535032437.db2.gz WIYZDOPSYCLJDE-UHFFFAOYSA-N -1 1 344.371 2.470 20 5 EEBDMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000773750669 577362568 /nfs/dbraw/zinc/36/25/68/577362568.db2.gz GFMDCSZGLLWDSW-UHFFFAOYSA-N -1 1 341.352 2.129 20 5 EEBDMM Cc1cccc([N+](=O)[O-])c1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774894192 577422433 /nfs/dbraw/zinc/42/24/33/577422433.db2.gz DICMQIHUVDQIMN-UHFFFAOYSA-N -1 1 334.250 2.129 20 5 EEBDMM CCc1cnc(CCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)s1 ZINC000825733615 607451588 /nfs/dbraw/zinc/45/15/88/607451588.db2.gz GFEJLZMXGFABMR-UHFFFAOYSA-N -1 1 345.388 2.448 20 5 EEBDMM CCc1cnc(CCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)s1 ZINC000825733615 607451590 /nfs/dbraw/zinc/45/15/90/607451590.db2.gz GFEJLZMXGFABMR-UHFFFAOYSA-N -1 1 345.388 2.448 20 5 EEBDMM CCOc1ncccc1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821437485 606644934 /nfs/dbraw/zinc/64/49/34/606644934.db2.gz OHYAWLQZFUEHCI-UHFFFAOYSA-N -1 1 341.331 2.181 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCc2ccc(F)cc21 ZINC000823619987 606708592 /nfs/dbraw/zinc/70/85/92/606708592.db2.gz FGEVASWOHBCLHK-LBPRGKRZSA-N -1 1 341.306 2.408 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCc2ccc(F)cc21 ZINC000823619987 606708594 /nfs/dbraw/zinc/70/85/94/606708594.db2.gz FGEVASWOHBCLHK-LBPRGKRZSA-N -1 1 341.306 2.408 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCc2ccccc2C1 ZINC000823621189 607163030 /nfs/dbraw/zinc/16/30/30/607163030.db2.gz YTSHRBUTKAULBX-GFCCVEGCSA-N -1 1 337.343 2.139 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCc2ccccc2C1 ZINC000823621189 607163032 /nfs/dbraw/zinc/16/30/32/607163032.db2.gz YTSHRBUTKAULBX-GFCCVEGCSA-N -1 1 337.343 2.139 20 5 EEBDMM Cc1cccc([N+](=O)[O-])c1OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826304689 608008816 /nfs/dbraw/zinc/00/88/16/608008816.db2.gz UWCNFBKCSZRLGC-UHFFFAOYSA-N -1 1 331.313 2.364 20 5 EEBDMM Cc1cccc([N+](=O)[O-])c1OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826304689 608008817 /nfs/dbraw/zinc/00/88/17/608008817.db2.gz UWCNFBKCSZRLGC-UHFFFAOYSA-N -1 1 331.313 2.364 20 5 EEBDMM O=[N+]([O-])c1cccc(-c2cnn(Cc3ccnc(-c4nnn[n-]4)c3)c2)c1 ZINC000826499642 609314004 /nfs/dbraw/zinc/31/40/04/609314004.db2.gz QTKIEONCAQXMPZ-UHFFFAOYSA-N -1 1 348.326 2.082 20 5 EEBDMM O=[N+]([O-])c1cccc(-c2cnn(Cc3ccnc(-c4nn[n-]n4)c3)c2)c1 ZINC000826499642 609314005 /nfs/dbraw/zinc/31/40/05/609314005.db2.gz QTKIEONCAQXMPZ-UHFFFAOYSA-N -1 1 348.326 2.082 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCS[C@@H]2C)cc1F ZINC000867454687 677961079 /nfs/dbraw/zinc/96/10/79/677961079.db2.gz JHHLWRVLKJQHNG-SCZZXKLOSA-N -1 1 334.394 2.215 20 5 EEBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccn1 ZINC000047671052 1208421334 /nfs/dbraw/zinc/42/13/34/1208421334.db2.gz QECCFPXAEWRJSP-SECBINFHSA-N -1 1 325.321 2.168 20 5 EEBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cccc([N+](=O)[O-])c1 ZINC000194092953 1211087730 /nfs/dbraw/zinc/08/77/30/1211087730.db2.gz KDBXVGYDOOWGTA-QMMMGPOBSA-N -1 1 332.272 2.095 20 5 EEBDMM CC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccncc1 ZINC000119844471 1229614888 /nfs/dbraw/zinc/61/48/88/1229614888.db2.gz QPKQPOUXGIPJLQ-NSHDSACASA-N -1 1 327.387 2.481 20 5 EEBDMM Cc1cccc(CNC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000780072736 1236364225 /nfs/dbraw/zinc/36/42/25/1236364225.db2.gz UVRDZCZKBLGKHW-UHFFFAOYSA-N -1 1 344.323 2.082 20 5 EEBDMM CCCOC[C@@H](C)Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-] ZINC001226310786 1301348126 /nfs/dbraw/zinc/34/81/26/1301348126.db2.gz QNGJXBHHBKYSGH-SECBINFHSA-N -1 1 328.321 2.066 20 5 EEBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(OC[C@@H]3COCCO3)c12 ZINC001234743269 1305017808 /nfs/dbraw/zinc/01/78/08/1305017808.db2.gz BBDPOUNDCBBMMO-LBPRGKRZSA-N -1 1 344.319 2.152 20 5 EEBDMM C[C@H](COc1ccccc1F)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001255944450 1318573444 /nfs/dbraw/zinc/57/34/44/1318573444.db2.gz JWNQNOOHEZQOLA-SECBINFHSA-N -1 1 335.291 2.032 20 5 EEBDMM O=C([N-]CCNc1ccc2cnccc2c1[N+](=O)[O-])C(F)(F)F ZINC001164246295 1321329641 /nfs/dbraw/zinc/32/96/41/1321329641.db2.gz XVHAWPOLJWBRII-UHFFFAOYSA-N -1 1 328.250 2.233 20 5 EEBDMM Cc1noc(C)c1C[C@@H](C)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609462637 1351986204 /nfs/dbraw/zinc/98/62/04/1351986204.db2.gz MCDBAUOLTNAAMF-MRVPVSSYSA-N -1 1 343.347 2.423 20 5 EEBDMM Cc1noc(C)c1C[C@@H](C)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609462637 1351986205 /nfs/dbraw/zinc/98/62/05/1351986205.db2.gz MCDBAUOLTNAAMF-MRVPVSSYSA-N -1 1 343.347 2.423 20 5 EEBDMM O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001610725921 1352265594 /nfs/dbraw/zinc/26/55/94/1352265594.db2.gz MUXUVZHMZZPMRW-LBPRGKRZSA-N -1 1 334.250 2.139 20 5 EEBDMM O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001610725921 1352265598 /nfs/dbraw/zinc/26/55/98/1352265598.db2.gz MUXUVZHMZZPMRW-LBPRGKRZSA-N -1 1 334.250 2.139 20 5 EEBDMM O=[N+]([O-])c1cc(N2CC(Cc3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC001593472229 1349806747 /nfs/dbraw/zinc/80/67/47/1349806747.db2.gz YBBMMQIRRYQDSZ-UHFFFAOYSA-N -1 1 336.355 2.454 20 5 EEBDMM O=[N+]([O-])c1cc(NC[C@@H]2CC[C@@H](C3CC3)O2)ccc1-c1nn[n-]n1 ZINC001593474032 1349808495 /nfs/dbraw/zinc/80/84/95/1349808495.db2.gz NYEMLAJKUWSVKX-FZMZJTMJSA-N -1 1 330.348 2.144 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCC(c3ccon3)CC2)cc1-c1nnn[n-]1 ZINC001593476743 1349810306 /nfs/dbraw/zinc/81/03/06/1349810306.db2.gz XSMVVDUJOXOPPI-UHFFFAOYSA-N -1 1 341.331 2.147 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCC(c3ccon3)CC2)cc1-c1nn[n-]n1 ZINC001593476743 1349810309 /nfs/dbraw/zinc/81/03/09/1349810309.db2.gz XSMVVDUJOXOPPI-UHFFFAOYSA-N -1 1 341.331 2.147 20 5 EEBDMM Cc1cc([C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C(=O)[O-])ccc1F ZINC001600149965 1349980951 /nfs/dbraw/zinc/98/09/51/1349980951.db2.gz LIDLWVZSWTZEFJ-CQSZACIVSA-N -1 1 348.286 2.304 20 5 EEBDMM CCC[C@H](C)[C@H](CO)Nc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604134241 1350868714 /nfs/dbraw/zinc/86/87/14/1350868714.db2.gz DFNIGKOXIJGBBU-ZANVPECISA-N -1 1 334.380 2.292 20 5 EEBDMM CCC[C@H](C)[C@H](CO)Nc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604134241 1350868717 /nfs/dbraw/zinc/86/87/17/1350868717.db2.gz DFNIGKOXIJGBBU-ZANVPECISA-N -1 1 334.380 2.292 20 5 EEBDMM O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606978872 1351391171 /nfs/dbraw/zinc/39/11/71/1351391171.db2.gz MHQWBBRFKKAWLU-UHFFFAOYSA-N -1 1 343.274 2.271 20 5 EEBDMM O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606978872 1351391175 /nfs/dbraw/zinc/39/11/75/1351391175.db2.gz MHQWBBRFKKAWLU-UHFFFAOYSA-N -1 1 343.274 2.271 20 5 EEBDMM O=[N+]([O-])c1cc(NC[C@@H]2C[C@H]2C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001607079415 1351408697 /nfs/dbraw/zinc/40/86/97/1351408697.db2.gz HRLPQMFQJQKAQW-IMTBSYHQSA-N -1 1 328.254 2.385 20 5 EEBDMM Cc1c(NC(=O)[C@H](C)N2CCC[C@](C)(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001607537992 1351512176 /nfs/dbraw/zinc/51/21/76/1351512176.db2.gz FJTHFOIONOHJEU-SJCJKPOMSA-N -1 1 349.387 2.417 20 5 EEBDMM Cc1cc(N2CCO[C@@](C)(C3CC3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592007453 1403982547 /nfs/dbraw/zinc/98/25/47/1403982547.db2.gz PVMIQMZETMGYST-MRXNPFEDSA-N -1 1 344.375 2.089 20 5 EEBDMM Cc1cc(N2CCO[C@@](C)(C3CC3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592007453 1403982554 /nfs/dbraw/zinc/98/25/54/1403982554.db2.gz PVMIQMZETMGYST-MRXNPFEDSA-N -1 1 344.375 2.089 20 5 EEBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2C)cc1[N+](=O)[O-] ZINC000032602510 776753029 /nfs/dbraw/zinc/75/30/29/776753029.db2.gz IGLWMLQHHCNMGV-UHFFFAOYSA-N -1 1 349.368 2.111 20 5 EEBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)CCOCC2CC2)c1Cl ZINC000818274642 785249295 /nfs/dbraw/zinc/24/92/95/785249295.db2.gz ZSLFCAYJTJYEJQ-UHFFFAOYSA-N -1 1 334.781 2.417 20 5 EEBDMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000067078855 215109800 /nfs/dbraw/zinc/10/98/00/215109800.db2.gz RLFMYVSGDDPOEV-UHFFFAOYSA-N -1 1 333.373 2.156 20 5 EEBDMM O=C([O-])C1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000191493857 239143919 /nfs/dbraw/zinc/14/39/19/239143919.db2.gz XVMRQOHLMBGJPL-UHFFFAOYSA-N -1 1 346.343 2.236 20 5 EEBDMM Cc1cccc(O[C@@H](C)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000193631418 240242881 /nfs/dbraw/zinc/24/28/81/240242881.db2.gz IVXSWMGDZHACDJ-NSHDSACASA-N -1 1 331.328 2.201 20 5 EEBDMM Cc1ocnc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000090446533 292218619 /nfs/dbraw/zinc/21/86/19/292218619.db2.gz FMGUJJXLIQMTOF-UHFFFAOYSA-N -1 1 331.737 2.023 20 5 EEBDMM Cc1noc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000119418270 159378049 /nfs/dbraw/zinc/37/80/49/159378049.db2.gz DMZYAYFKKDYFFQ-UHFFFAOYSA-N -1 1 327.094 2.301 20 5 EEBDMM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185687320 160045587 /nfs/dbraw/zinc/04/55/87/160045587.db2.gz RLBSLRWMXWGXCR-GWCFXTLKSA-N -1 1 337.376 2.267 20 5 EEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)cc1 ZINC000158902004 311333749 /nfs/dbraw/zinc/33/37/49/311333749.db2.gz NETBCJGBLUKGFV-UHFFFAOYSA-N -1 1 326.305 2.027 20 5 EEBDMM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000416536538 313249622 /nfs/dbraw/zinc/24/96/22/313249622.db2.gz PXUNYOAYGRSRRB-RKDXNWHRSA-N -1 1 334.781 2.094 20 5 EEBDMM CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525174927 317042705 /nfs/dbraw/zinc/04/27/05/317042705.db2.gz NBXXGTWNDVOUDO-RYUDHWBXSA-N -1 1 327.406 2.483 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000339040855 465044873 /nfs/dbraw/zinc/04/48/73/465044873.db2.gz FJNUDDWOLBDYMP-IJLUTSLNSA-N -1 1 342.421 2.058 20 5 EEBDMM O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000158091710 463204395 /nfs/dbraw/zinc/20/43/95/463204395.db2.gz DGCQXIFGYASAEV-UHFFFAOYSA-N -1 1 344.302 2.288 20 5 EEBDMM CCC1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCOCC1 ZINC000266750322 464808675 /nfs/dbraw/zinc/80/86/75/464808675.db2.gz QIAWNOJPKTVZLV-UHFFFAOYSA-N -1 1 346.380 2.219 20 5 EEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1nccs1 ZINC000340536016 466158716 /nfs/dbraw/zinc/15/87/16/466158716.db2.gz FUAJFTNJRKGZKL-UHFFFAOYSA-N -1 1 333.778 2.183 20 5 EEBDMM O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340687099 466263761 /nfs/dbraw/zinc/26/37/61/466263761.db2.gz PVXDPTGKYGUUKI-UHFFFAOYSA-N -1 1 328.328 2.411 20 5 EEBDMM Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000315742677 466563827 /nfs/dbraw/zinc/56/38/27/466563827.db2.gz VTQAWMPLBYYSCE-UHFFFAOYSA-N -1 1 342.354 2.464 20 5 EEBDMM O=C1CC[C@@H]2CN(Cc3cc([O-])ccc3[N+](=O)[O-])CC[C@H]2N1C1CC1 ZINC000569509502 468503613 /nfs/dbraw/zinc/50/36/13/468503613.db2.gz XJUGWFYRGMOLMY-MLGOLLRUSA-N -1 1 345.399 2.276 20 5 EEBDMM O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000412395796 467078999 /nfs/dbraw/zinc/07/89/99/467078999.db2.gz STGLJKUSTVZNQI-BXKDBHETSA-N -1 1 349.368 2.407 20 5 EEBDMM CSCC1CCC(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000452494872 467386678 /nfs/dbraw/zinc/38/66/78/467386678.db2.gz XYFVHMHQNKZFAK-UHFFFAOYSA-N -1 1 325.390 2.347 20 5 EEBDMM O=C([O-])C[C@@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000593291049 468930569 /nfs/dbraw/zinc/93/05/69/468930569.db2.gz WJWRXVYDYAMMCI-ZDUSSCGKSA-N -1 1 346.343 2.474 20 5 EEBDMM C[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1C(=O)[O-] ZINC000593748479 469121910 /nfs/dbraw/zinc/12/19/10/469121910.db2.gz NWYKSKMCXLKNFN-GWCFXTLKSA-N -1 1 346.343 2.187 20 5 EEBDMM O=C(NC[C@@H]1CCC2(CCCCC2)O1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000616900216 469538688 /nfs/dbraw/zinc/53/86/88/469538688.db2.gz ORTXZAHEZMOMFQ-LBPRGKRZSA-N -1 1 335.360 2.307 20 5 EEBDMM O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000619253366 469559477 /nfs/dbraw/zinc/55/94/77/469559477.db2.gz YWRDITNFGMUTOL-UHFFFAOYSA-N -1 1 343.274 2.477 20 5 EEBDMM Cc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610262999 469996634 /nfs/dbraw/zinc/99/66/34/469996634.db2.gz ZJFYDAYSBPMXAW-CYBMUJFWSA-N -1 1 333.369 2.264 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(C)s2)c([N+](=O)[O-])n1 ZINC000754794373 577813337 /nfs/dbraw/zinc/81/33/37/577813337.db2.gz VBGQYPMDZUWHNP-VIFPVBQESA-N -1 1 344.418 2.221 20 5 EEBDMM O=[N+]([O-])c1ccc(N[C@@H](CCO)c2cccs2)cc1-c1nnn[n-]1 ZINC000826499177 607453220 /nfs/dbraw/zinc/45/32/20/607453220.db2.gz YQVLNGIBRSJNJD-NSHDSACASA-N -1 1 346.372 2.372 20 5 EEBDMM O=[N+]([O-])c1ccc(N[C@@H](CCO)c2cccs2)cc1-c1nn[n-]n1 ZINC000826499177 607453222 /nfs/dbraw/zinc/45/32/22/607453222.db2.gz YQVLNGIBRSJNJD-NSHDSACASA-N -1 1 346.372 2.372 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823620584 606712919 /nfs/dbraw/zinc/71/29/19/606712919.db2.gz MWHAECXHWWTGQL-AAEUAGOBSA-N -1 1 337.343 2.213 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823620584 606712921 /nfs/dbraw/zinc/71/29/21/606712921.db2.gz MWHAECXHWWTGQL-AAEUAGOBSA-N -1 1 337.343 2.213 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1cc(F)ccc1F ZINC000823624709 606715863 /nfs/dbraw/zinc/71/58/63/606715863.db2.gz FQQCPLCIPLXTMQ-UHFFFAOYSA-N -1 1 347.285 2.103 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1cc(F)ccc1F ZINC000823624709 606715865 /nfs/dbraw/zinc/71/58/65/606715865.db2.gz FQQCPLCIPLXTMQ-UHFFFAOYSA-N -1 1 347.285 2.103 20 5 EEBDMM Cc1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cc1[N+](=O)[O-] ZINC000826283611 608429824 /nfs/dbraw/zinc/42/98/24/608429824.db2.gz VYFGAPUAJKHFHL-SECBINFHSA-N -1 1 326.320 2.046 20 5 EEBDMM Cc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cc1[N+](=O)[O-] ZINC000826283611 608429826 /nfs/dbraw/zinc/42/98/26/608429826.db2.gz VYFGAPUAJKHFHL-SECBINFHSA-N -1 1 326.320 2.046 20 5 EEBDMM CS[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C(C)(C)C ZINC000826226235 609591296 /nfs/dbraw/zinc/59/12/96/609591296.db2.gz VKHXLWOOBGDBFT-SECBINFHSA-N -1 1 337.409 2.360 20 5 EEBDMM CS[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C(C)(C)C ZINC000826226235 609591299 /nfs/dbraw/zinc/59/12/99/609591299.db2.gz VKHXLWOOBGDBFT-SECBINFHSA-N -1 1 337.409 2.360 20 5 EEBDMM Cc1nc(O[C@@H](C)c2cc(Br)no2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229380184 1187515761 /nfs/dbraw/zinc/51/57/61/1187515761.db2.gz ZLFNKGLMPATHIH-BYPYZUCNSA-N -1 1 345.109 2.289 20 5 EEBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C(CF)CF ZINC000885413864 1202411775 /nfs/dbraw/zinc/41/17/75/1202411775.db2.gz NTAFQKQERVDWSD-UHFFFAOYSA-N -1 1 348.249 2.200 20 5 EEBDMM Cc1ccc([N+](=O)[O-])c(N(C)CCCNC(=O)c2ncccc2[O-])c1 ZINC001095527209 1205856364 /nfs/dbraw/zinc/85/63/64/1205856364.db2.gz ZMFCEXNWSYJFOH-UHFFFAOYSA-N -1 1 344.371 2.260 20 5 EEBDMM Cn1cccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795867483 1215135666 /nfs/dbraw/zinc/13/56/66/1215135666.db2.gz OAJKRGSQPCXPCH-UHFFFAOYSA-N -1 1 347.755 2.204 20 5 EEBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N(C1CC1)C1CCCC1 ZINC000780071621 1236339182 /nfs/dbraw/zinc/33/91/82/1236339182.db2.gz JKBKXHRDZSJEAH-UHFFFAOYSA-N -1 1 348.355 2.391 20 5 EEBDMM CCc1c(C)nc2n(c1=O)CCC[C@H]2Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225667683 1301117504 /nfs/dbraw/zinc/11/75/04/1301117504.db2.gz WQIQIBKFCWDJSO-GFCCVEGCSA-N -1 1 346.343 2.037 20 5 EEBDMM COC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000829646532 1314507485 /nfs/dbraw/zinc/50/74/85/1314507485.db2.gz UVEHBSACUMGAGR-ZCFIWIBFSA-N -1 1 343.188 2.215 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCC[C@@H]1CCOC1 ZINC000832578978 1314686257 /nfs/dbraw/zinc/68/62/57/1314686257.db2.gz AMGWETLLBRIVML-SNVBAGLBSA-N -1 1 348.808 2.343 20 5 EEBDMM C[C@H](CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)CC(F)(F)F ZINC001609114010 1351849274 /nfs/dbraw/zinc/84/92/74/1351849274.db2.gz QPHNLKHGDBOIJD-LURJTMIESA-N -1 1 345.285 2.358 20 5 EEBDMM C[C@H](CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)CC(F)(F)F ZINC001609114010 1351849280 /nfs/dbraw/zinc/84/92/80/1351849280.db2.gz QPHNLKHGDBOIJD-LURJTMIESA-N -1 1 345.285 2.358 20 5 EEBDMM O=C(Nc1cc(N2CCOC2=O)ccc1F)c1ccc([N+](=O)[O-])[n-]1 ZINC001324091425 1333607066 /nfs/dbraw/zinc/60/70/66/1333607066.db2.gz WVNZICZXKRXAIN-UHFFFAOYSA-N -1 1 334.263 2.271 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CC12CCSCC2 ZINC001609599607 1352029815 /nfs/dbraw/zinc/02/98/15/1352029815.db2.gz NYPHKSJGCOMLFR-VIFPVBQESA-N -1 1 347.404 2.115 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CC12CCSCC2 ZINC001609599607 1352029818 /nfs/dbraw/zinc/02/98/18/1352029818.db2.gz NYPHKSJGCOMLFR-VIFPVBQESA-N -1 1 347.404 2.115 20 5 EEBDMM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001610287918 1352200290 /nfs/dbraw/zinc/20/02/90/1352200290.db2.gz YCEUKMDICCKCOF-UHFFFAOYSA-N -1 1 332.268 2.260 20 5 EEBDMM Cc1cc(NC(=O)c2ccsc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001580985383 1344579367 /nfs/dbraw/zinc/57/93/67/1344579367.db2.gz CHZYNHYAVISSRJ-UHFFFAOYSA-N -1 1 330.329 2.397 20 5 EEBDMM Cc1cc(NC(=O)c2ccsc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001580985383 1344579368 /nfs/dbraw/zinc/57/93/68/1344579368.db2.gz CHZYNHYAVISSRJ-UHFFFAOYSA-N -1 1 330.329 2.397 20 5 EEBDMM CC(C)[C@H](O)C(C)(C)CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589475256 1348992858 /nfs/dbraw/zinc/99/28/58/1348992858.db2.gz FJMXCRIIFCMUOQ-JTQLQIEISA-N -1 1 340.409 2.291 20 5 EEBDMM CC(C)[C@H](O)C(C)(C)CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589475256 1348992862 /nfs/dbraw/zinc/99/28/62/1348992862.db2.gz FJMXCRIIFCMUOQ-JTQLQIEISA-N -1 1 340.409 2.291 20 5 EEBDMM C[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC12CCC2 ZINC001590276345 1349245514 /nfs/dbraw/zinc/24/55/14/1349245514.db2.gz MEYWNNBTXKPQCD-SNVBAGLBSA-N -1 1 343.391 2.374 20 5 EEBDMM C[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC12CCC2 ZINC001590276345 1349245528 /nfs/dbraw/zinc/24/55/28/1349245528.db2.gz MEYWNNBTXKPQCD-SNVBAGLBSA-N -1 1 343.391 2.374 20 5 EEBDMM Cc1cc(NC[C@@H]2CCO[C@H](C)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592044423 1349587250 /nfs/dbraw/zinc/58/72/50/1349587250.db2.gz HVEGXZLIPPSBMK-GHMZBOCLSA-N -1 1 332.364 2.310 20 5 EEBDMM Cc1cc(NC[C@@H]2CCO[C@H](C)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592044423 1349587253 /nfs/dbraw/zinc/58/72/53/1349587253.db2.gz HVEGXZLIPPSBMK-GHMZBOCLSA-N -1 1 332.364 2.310 20 5 EEBDMM O=[N+]([O-])c1cccc(Oc2cc(-c3nnn[n-]3)nc(C3CC3)n2)c1 ZINC001593483696 1349814108 /nfs/dbraw/zinc/81/41/08/1349814108.db2.gz CWZBIKSUAPDJIG-UHFFFAOYSA-N -1 1 325.288 2.235 20 5 EEBDMM O=[N+]([O-])c1cccc(Oc2cc(-c3nn[n-]n3)nc(C3CC3)n2)c1 ZINC001593483696 1349814111 /nfs/dbraw/zinc/81/41/11/1349814111.db2.gz CWZBIKSUAPDJIG-UHFFFAOYSA-N -1 1 325.288 2.235 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1Cc2ccccc2CO1 ZINC001593488134 1349816404 /nfs/dbraw/zinc/81/64/04/1349816404.db2.gz PJHVMZGZJVEHKQ-UHFFFAOYSA-N -1 1 330.329 2.288 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1Cc2ccccc2CO1 ZINC001593488134 1349816407 /nfs/dbraw/zinc/81/64/07/1349816407.db2.gz PJHVMZGZJVEHKQ-UHFFFAOYSA-N -1 1 330.329 2.288 20 5 EEBDMM O=C([O-])[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001601689174 1350338207 /nfs/dbraw/zinc/33/82/07/1350338207.db2.gz JRHMYXAMTHKDTC-BBBLOLIVSA-N -1 1 333.218 2.040 20 5 EEBDMM C[C@@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC001603705056 1350746805 /nfs/dbraw/zinc/74/68/05/1350746805.db2.gz RTHQDTDFKSXIGH-SECBINFHSA-N -1 1 340.299 2.088 20 5 EEBDMM C[C@@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC001603705056 1350746807 /nfs/dbraw/zinc/74/68/07/1350746807.db2.gz RTHQDTDFKSXIGH-SECBINFHSA-N -1 1 340.299 2.088 20 5 EEBDMM CC1(C)C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS1 ZINC001603764682 1350760804 /nfs/dbraw/zinc/76/08/04/1350760804.db2.gz HVZDCGXAKPGEOP-MRVPVSSYSA-N -1 1 335.393 2.256 20 5 EEBDMM CC1(C)C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCS1 ZINC001603764682 1350760810 /nfs/dbraw/zinc/76/08/10/1350760810.db2.gz HVZDCGXAKPGEOP-MRVPVSSYSA-N -1 1 335.393 2.256 20 5 EEBDMM CCC[C@H](C)[C@@H](CO)Nc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604134240 1350869268 /nfs/dbraw/zinc/86/92/68/1350869268.db2.gz DFNIGKOXIJGBBU-TVQRCGJNSA-N -1 1 334.380 2.292 20 5 EEBDMM CCC[C@H](C)[C@@H](CO)Nc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604134240 1350869271 /nfs/dbraw/zinc/86/92/71/1350869271.db2.gz DFNIGKOXIJGBBU-TVQRCGJNSA-N -1 1 334.380 2.292 20 5 EEBDMM CS[C@@H]1CCCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001605373199 1351147388 /nfs/dbraw/zinc/14/73/88/1351147388.db2.gz XDUHOQXCLLUWAY-LLVKDONJSA-N -1 1 334.405 2.497 20 5 EEBDMM Cc1cc(NC[C@@H]2CCOC2(C)C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605729445 1351218867 /nfs/dbraw/zinc/21/88/67/1351218867.db2.gz CIHXHBDCCJZYJS-JTQLQIEISA-N -1 1 332.364 2.310 20 5 EEBDMM Cc1cc(NC[C@@H]2CCOC2(C)C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605729445 1351218869 /nfs/dbraw/zinc/21/88/69/1351218869.db2.gz CIHXHBDCCJZYJS-JTQLQIEISA-N -1 1 332.364 2.310 20 5 EEBDMM Cc1nsc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC001605903795 1351250550 /nfs/dbraw/zinc/25/05/50/1351250550.db2.gz KCMFKYWWAHYTDV-UHFFFAOYSA-N -1 1 345.344 2.101 20 5 EEBDMM Cc1nsc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC001605903795 1351250555 /nfs/dbraw/zinc/25/05/55/1351250555.db2.gz KCMFKYWWAHYTDV-UHFFFAOYSA-N -1 1 345.344 2.101 20 5 EEBDMM COC(=O)c1c2nn(-c3cc([O-])cc([N+](=O)[O-])c3)cc2ccc1N ZINC001201224322 1368796493 /nfs/dbraw/zinc/79/64/93/1368796493.db2.gz MCUVAWICQHGITJ-UHFFFAOYSA-N -1 1 328.284 2.008 20 5 EEBDMM O=C(NC/C=C/CNc1cccc(F)c1[N+](=O)[O-])c1ncccc1[O-] ZINC001107139205 785983755 /nfs/dbraw/zinc/98/37/55/785983755.db2.gz IVCALXYDWWFOFV-OWOJBTEDSA-N -1 1 346.318 2.233 20 5 EEBDMM CCOC(=O)c1c(C)[nH]nc1COc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001596697170 984856318 /nfs/dbraw/zinc/85/63/18/984856318.db2.gz JGOUFPKSNJBREG-UHFFFAOYSA-N -1 1 349.299 2.080 20 5 EEBDMM CCc1[nH]nc(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c1[N+](=O)[O-] ZINC001597399835 987659422 /nfs/dbraw/zinc/65/94/22/987659422.db2.gz OOWWPSDHFQDBEI-UHFFFAOYSA-N -1 1 340.380 2.089 20 5 EEBDMM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000056088670 214358139 /nfs/dbraw/zinc/35/81/39/214358139.db2.gz DXLNBLVNBWRAIH-UHFFFAOYSA-N -1 1 328.296 2.352 20 5 EEBDMM O=C(NCCCCOc1ccc(F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186893493 236056318 /nfs/dbraw/zinc/05/63/18/236056318.db2.gz OIOXVDLVCLRBAQ-UHFFFAOYSA-N -1 1 349.318 2.424 20 5 EEBDMM O=C(N[C@@H]1CCCOc2c(F)cccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193871677 240342222 /nfs/dbraw/zinc/34/22/22/240342222.db2.gz QQLISDWXCFWGIY-GFCCVEGCSA-N -1 1 347.302 2.478 20 5 EEBDMM O=C(N[C@@H]1CCOc2ccc(F)cc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187657888 284083062 /nfs/dbraw/zinc/08/30/62/284083062.db2.gz KYLXISOSLRWAHP-LLVKDONJSA-N -1 1 333.275 2.088 20 5 EEBDMM CSc1cccc(F)c1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000359456743 153375506 /nfs/dbraw/zinc/37/55/06/153375506.db2.gz KWMSXYOFLBBJLA-UHFFFAOYSA-N -1 1 337.332 2.486 20 5 EEBDMM O=C(NCCCOc1ccc(F)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000126569808 292313054 /nfs/dbraw/zinc/31/30/54/292313054.db2.gz HNEWFZPNTVJQGT-UHFFFAOYSA-N -1 1 335.291 2.033 20 5 EEBDMM O=C(NCc1cc(-c2ccccc2)on1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187061565 160091017 /nfs/dbraw/zinc/09/10/17/160091017.db2.gz JHUDEBHKWJIAII-UHFFFAOYSA-N -1 1 340.295 2.280 20 5 EEBDMM C[C@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000343998041 161188232 /nfs/dbraw/zinc/18/82/32/161188232.db2.gz YQJNBJOWVIHHAV-PRHODGIISA-N -1 1 334.781 2.094 20 5 EEBDMM Cc1cccc(O)c1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000346412142 161370422 /nfs/dbraw/zinc/37/04/22/161370422.db2.gz QOILQNBYFUNDSW-UHFFFAOYSA-N -1 1 338.341 2.424 20 5 EEBDMM Cc1nn(C)c(C(=O)[N-]c2nnc(-c3ccco3)s2)c1[N+](=O)[O-] ZINC000352770581 162281170 /nfs/dbraw/zinc/28/11/70/162281170.db2.gz KUUQLBDDNHUAKW-UHFFFAOYSA-N -1 1 334.317 2.001 20 5 EEBDMM COc1ccc(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000355694284 163271016 /nfs/dbraw/zinc/27/10/16/163271016.db2.gz CDHQHRSRVDODHG-UHFFFAOYSA-N -1 1 345.355 2.412 20 5 EEBDMM Cc1[nH]ncc1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000375835738 167209618 /nfs/dbraw/zinc/20/96/18/167209618.db2.gz YNNFNORKQFFVQG-UHFFFAOYSA-N -1 1 330.344 2.352 20 5 EEBDMM CCc1cc(=O)[n-]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000041626266 273913002 /nfs/dbraw/zinc/91/30/02/273913002.db2.gz OGPDIVQYBXQTSD-UHFFFAOYSA-N -1 1 348.384 2.280 20 5 EEBDMM O=C(N[C@H]1CCCOc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000156138975 279956693 /nfs/dbraw/zinc/95/66/93/279956693.db2.gz CTDATAGFNHVFGV-ZDUSSCGKSA-N -1 1 329.312 2.339 20 5 EEBDMM CCC(CC)[C@@H](CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)OC ZINC000444979021 315336146 /nfs/dbraw/zinc/33/61/46/315336146.db2.gz KDLCXBMUPSFTRE-CYBMUJFWSA-N -1 1 325.365 2.267 20 5 EEBDMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](O)CC ZINC000451978407 315471832 /nfs/dbraw/zinc/47/18/32/315471832.db2.gz PIDHSURLIOCKTP-KOLCDFICSA-N -1 1 336.797 2.076 20 5 EEBDMM CC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C1CCCC1 ZINC000451991972 315475821 /nfs/dbraw/zinc/47/58/21/315475821.db2.gz GGHRWSZTENNYAU-LLVKDONJSA-N -1 1 330.410 2.058 20 5 EEBDMM CO[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296169560 465102531 /nfs/dbraw/zinc/10/25/31/465102531.db2.gz KWRNKXCAOPRYDN-LURJTMIESA-N -1 1 343.188 2.215 20 5 EEBDMM O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000339206263 465142399 /nfs/dbraw/zinc/14/23/99/465142399.db2.gz RMCNZEJZCSBNAZ-GFCCVEGCSA-N -1 1 346.343 2.022 20 5 EEBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000032591503 463383171 /nfs/dbraw/zinc/38/31/71/463383171.db2.gz MQNJAGXFJZZJNU-UHFFFAOYSA-N -1 1 348.340 2.281 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](Cc2ccccc2)C1 ZINC000185726328 463869062 /nfs/dbraw/zinc/86/90/62/463869062.db2.gz CAXFQTUVNLEJFG-CYBMUJFWSA-N -1 1 327.340 2.400 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCCCCO ZINC000180654552 464360400 /nfs/dbraw/zinc/36/04/00/464360400.db2.gz GPNPBBUZWYWZNA-UHFFFAOYSA-N -1 1 336.797 2.079 20 5 EEBDMM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000356694764 465492585 /nfs/dbraw/zinc/49/25/85/465492585.db2.gz GMVAOKSPANTWHP-ZCFIWIBFSA-N -1 1 330.259 2.211 20 5 EEBDMM O=C(Nc1ccccc1-c1nnc[nH]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000370366801 466850395 /nfs/dbraw/zinc/85/03/95/466850395.db2.gz MHDQVAKLAKUDRN-UHFFFAOYSA-N -1 1 325.284 2.338 20 5 EEBDMM O=C1CCCN1[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000412053850 466985352 /nfs/dbraw/zinc/98/53/52/466985352.db2.gz GQUWTSAUYIAXIB-AWEZNQCLSA-N -1 1 333.388 2.277 20 5 EEBDMM COc1cccc(C)c1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000435729653 467491638 /nfs/dbraw/zinc/49/16/38/467491638.db2.gz DUGQFMBVEJDLRQ-UHFFFAOYSA-N -1 1 338.341 2.418 20 5 EEBDMM Cc1cnc(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[n-]c1=O ZINC000594897676 468718008 /nfs/dbraw/zinc/71/80/08/468718008.db2.gz PGMXVKQEPYIEBD-GFCCVEGCSA-N -1 1 346.368 2.296 20 5 EEBDMM O=C(N[C@H]1COc2c1cccc2Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000610714695 469048016 /nfs/dbraw/zinc/04/80/16/469048016.db2.gz BXXJSMYQCXWEKT-NSHDSACASA-N -1 1 335.703 2.212 20 5 EEBDMM O=C(c1ccc([O-])c(F)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000613446173 469713355 /nfs/dbraw/zinc/71/33/55/469713355.db2.gz XDWONJSWLIZCBQ-UHFFFAOYSA-N -1 1 345.330 2.402 20 5 EEBDMM COc1ccc(C2(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cc1 ZINC000618374527 469978652 /nfs/dbraw/zinc/97/86/52/469978652.db2.gz GTFCKEUGEQIZFB-UHFFFAOYSA-N -1 1 329.312 2.123 20 5 EEBDMM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000742307388 575973448 /nfs/dbraw/zinc/97/34/48/575973448.db2.gz SYGIGWZYKKYXMP-JTQLQIEISA-N -1 1 336.797 2.198 20 5 EEBDMM Cc1nn(CN2CCC[C@@H](CC(=O)[O-])C2)c2cc([N+](=O)[O-])ccc12 ZINC000821216803 597465068 /nfs/dbraw/zinc/46/50/68/597465068.db2.gz NYYUGLYTAYVXMD-LBPRGKRZSA-N -1 1 332.360 2.397 20 5 EEBDMM CC(C)CN(CCC(=O)[O-])C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000826876223 604854973 /nfs/dbraw/zinc/85/49/73/604854973.db2.gz XCJLQJBKOQFTDO-UHFFFAOYSA-N -1 1 326.353 2.014 20 5 EEBDMM O=[N+]([O-])c1cc(NCc2ccc3c(c2)OCO3)ccc1-c1nn[n-]n1 ZINC000823634206 606644301 /nfs/dbraw/zinc/64/43/01/606644301.db2.gz CWLHYHWOAZARGY-UHFFFAOYSA-N -1 1 340.299 2.116 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cc(F)ccc1F ZINC000823625165 606709183 /nfs/dbraw/zinc/70/91/83/606709183.db2.gz RVDUYWUTNYLVSK-UHFFFAOYSA-N -1 1 333.258 2.060 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cc(F)ccc1F ZINC000823625165 606709185 /nfs/dbraw/zinc/70/91/85/606709185.db2.gz RVDUYWUTNYLVSK-UHFFFAOYSA-N -1 1 333.258 2.060 20 5 EEBDMM CN(Cc1ccc(Cl)cc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821609614 607162337 /nfs/dbraw/zinc/16/23/37/607162337.db2.gz DXRMPILBBKHHMI-UHFFFAOYSA-N -1 1 345.750 2.460 20 5 EEBDMM CN(Cc1ccc(Cl)cc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821609614 607162339 /nfs/dbraw/zinc/16/23/39/607162339.db2.gz DXRMPILBBKHHMI-UHFFFAOYSA-N -1 1 345.750 2.460 20 5 EEBDMM CCc1ccc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821486775 607162810 /nfs/dbraw/zinc/16/28/10/607162810.db2.gz LFJXDCZHUJTOKY-UHFFFAOYSA-N -1 1 339.359 2.369 20 5 EEBDMM CCc1ccc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821486775 607162811 /nfs/dbraw/zinc/16/28/11/607162811.db2.gz LFJXDCZHUJTOKY-UHFFFAOYSA-N -1 1 339.359 2.369 20 5 EEBDMM CC(C)(C)[C@@H]1C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC000824077354 608149385 /nfs/dbraw/zinc/14/93/85/608149385.db2.gz ATGSIBXHFLHJQT-ONGXEEELSA-N -1 1 347.379 2.176 20 5 EEBDMM CC(C)(C)[C@@H]1C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC000824077354 608149386 /nfs/dbraw/zinc/14/93/86/608149386.db2.gz ATGSIBXHFLHJQT-ONGXEEELSA-N -1 1 347.379 2.176 20 5 EEBDMM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000125508420 692223217 /nfs/dbraw/zinc/22/32/17/692223217.db2.gz PHNFXHHXHURQJL-UHFFFAOYSA-N -1 1 346.727 2.088 20 5 EEBDMM O=C([N-]n1cnc2ccccc2c1=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000128330796 1201451054 /nfs/dbraw/zinc/45/10/54/1201451054.db2.gz BKXGSCOFSUXSTE-UHFFFAOYSA-N -1 1 344.714 2.342 20 5 EEBDMM Cc1ccc(N(C)CCCNC(=O)c2ncccc2[O-])c([N+](=O)[O-])c1 ZINC001095526576 1205857395 /nfs/dbraw/zinc/85/73/95/1205857395.db2.gz ADPBCQIRKWEQBM-UHFFFAOYSA-N -1 1 344.371 2.260 20 5 EEBDMM O=[N+]([O-])c1c(-c2nc(-c3ccccn3)no2)n[n-]c1C(F)(F)F ZINC001212972948 1216747966 /nfs/dbraw/zinc/74/79/66/1216747966.db2.gz NNDHMGAGCYSHSQ-UHFFFAOYSA-N -1 1 326.194 2.449 20 5 EEBDMM O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074031 1236581511 /nfs/dbraw/zinc/58/15/11/1236581511.db2.gz FKLJHOUKPWBTKQ-UHFFFAOYSA-N -1 1 348.267 2.444 20 5 EEBDMM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000867058827 1280786068 /nfs/dbraw/zinc/78/60/68/1280786068.db2.gz WHJRRYPCHOSGRW-GXFFZTMASA-N -1 1 346.380 2.136 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CC(F)(F)C2)cc1F ZINC000867294411 1285429046 /nfs/dbraw/zinc/42/90/46/1285429046.db2.gz DZIRPMUPGDYIFH-UHFFFAOYSA-N -1 1 338.307 2.366 20 5 EEBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@H]1CCNCC1(F)F ZINC001218008497 1297546276 /nfs/dbraw/zinc/54/62/76/1297546276.db2.gz ZFKISYFQKIPJSD-ZETCQYMHSA-N -1 1 343.208 2.090 20 5 EEBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC[C@@H]1CCC(C)(C)O1 ZINC001226307151 1301346144 /nfs/dbraw/zinc/34/61/44/1301346144.db2.gz GIQRVHCZPINQSJ-VIFPVBQESA-N -1 1 340.332 2.209 20 5 EEBDMM O=C([N-]N1CCc2ccccc2C1=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000780718827 1303692201 /nfs/dbraw/zinc/69/22/01/1303692201.db2.gz CLIUDWSEPMHYID-UHFFFAOYSA-N -1 1 329.287 2.077 20 5 EEBDMM COC(=O)[C@@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001231261243 1303709324 /nfs/dbraw/zinc/70/93/24/1303709324.db2.gz ZPKWQQBJJXHMRE-ZDUSSCGKSA-N -1 1 336.275 2.436 20 5 EEBDMM C[C@@H](COc1ccccc1F)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001115886117 1305843344 /nfs/dbraw/zinc/84/33/44/1305843344.db2.gz FEGXQQVSUQARLW-VIFPVBQESA-N -1 1 335.291 2.032 20 5 EEBDMM C[C@H]1CN(CCc2nnc(-c3cccc([N+](=O)[O-])c3[O-])o2)C[C@H](C)O1 ZINC001258145940 1319189416 /nfs/dbraw/zinc/18/94/16/1319189416.db2.gz KELASJWORKIJNX-QWRGUYRKSA-N -1 1 348.359 2.002 20 5 EEBDMM O=C([O-])[C@@H]1c2ccccc2OCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001608655438 1351734999 /nfs/dbraw/zinc/73/49/99/1351734999.db2.gz GSKUVLAUBOEXBY-INIZCTEOSA-N -1 1 344.323 2.321 20 5 EEBDMM O=C(Nc1ccccc1CN1CCCC1=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001318009591 1332461110 /nfs/dbraw/zinc/46/11/10/1332461110.db2.gz VKTQHDAVVQNKLK-UHFFFAOYSA-N -1 1 328.328 2.298 20 5 EEBDMM CC1(C)CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC(C)(C)O1 ZINC001609147275 1351861717 /nfs/dbraw/zinc/86/17/17/1351861717.db2.gz RKPLRTYHTJRSIA-UHFFFAOYSA-N -1 1 332.364 2.169 20 5 EEBDMM CC1(C)CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC(C)(C)O1 ZINC001609147275 1351861722 /nfs/dbraw/zinc/86/17/22/1351861722.db2.gz RKPLRTYHTJRSIA-UHFFFAOYSA-N -1 1 332.364 2.169 20 5 EEBDMM Cc1cccc(CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1 ZINC001609431427 1351974556 /nfs/dbraw/zinc/97/45/56/1351974556.db2.gz GFFVFZKZXWXUNC-UHFFFAOYSA-N -1 1 325.332 2.278 20 5 EEBDMM Cc1cccc(CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)c1 ZINC001609431427 1351974558 /nfs/dbraw/zinc/97/45/58/1351974558.db2.gz GFFVFZKZXWXUNC-UHFFFAOYSA-N -1 1 325.332 2.278 20 5 EEBDMM Nc1cc(NCCCOC2CCCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609511049 1352001800 /nfs/dbraw/zinc/00/18/00/1352001800.db2.gz UUKMSKHMKGBTKU-UHFFFAOYSA-N -1 1 347.379 2.118 20 5 EEBDMM Nc1cc(NCCCOC2CCCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609511049 1352001804 /nfs/dbraw/zinc/00/18/04/1352001804.db2.gz UUKMSKHMKGBTKU-UHFFFAOYSA-N -1 1 347.379 2.118 20 5 EEBDMM COc1cc(CN2CCC[C@](C)(C(=O)[O-])C2)c([N+](=O)[O-])cc1OC ZINC001610296523 1352201568 /nfs/dbraw/zinc/20/15/68/1352201568.db2.gz BVYSGYRSRKEWCJ-INIZCTEOSA-N -1 1 338.360 2.299 20 5 EEBDMM COc1cc(OCc2ccc(-c3nn[n-]n3)s2)ccc1[N+](=O)[O-] ZINC001579937626 1344436909 /nfs/dbraw/zinc/43/69/09/1344436909.db2.gz PSSZUDMCFCRRFT-UHFFFAOYSA-N -1 1 333.329 2.424 20 5 EEBDMM O=[N+]([O-])c1ccc(NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)cn1 ZINC001582803953 1344792683 /nfs/dbraw/zinc/79/26/83/1344792683.db2.gz DTXSRUVFDFACDV-UHFFFAOYSA-N -1 1 333.258 2.060 20 5 EEBDMM O=[N+]([O-])c1ccc(NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)cn1 ZINC001582803953 1344792688 /nfs/dbraw/zinc/79/26/88/1344792688.db2.gz DTXSRUVFDFACDV-UHFFFAOYSA-N -1 1 333.258 2.060 20 5 EEBDMM CC(C)(C)C[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001589119477 1348962048 /nfs/dbraw/zinc/96/20/48/1348962048.db2.gz UIFQSSRDNOZABH-JTQLQIEISA-N -1 1 331.380 2.432 20 5 EEBDMM CC(C)(C)C[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001589119477 1348962051 /nfs/dbraw/zinc/96/20/51/1348962051.db2.gz UIFQSSRDNOZABH-JTQLQIEISA-N -1 1 331.380 2.432 20 5 EEBDMM CCOc1cc(OCc2nc(-c3nnn[n-]3)cs2)ccc1[N+](=O)[O-] ZINC001590829195 1349402283 /nfs/dbraw/zinc/40/22/83/1349402283.db2.gz YPUVGJRMJQOFBB-UHFFFAOYSA-N -1 1 348.344 2.209 20 5 EEBDMM CCOc1cc(OCc2nc(-c3nn[n-]n3)cs2)ccc1[N+](=O)[O-] ZINC001590829195 1349402286 /nfs/dbraw/zinc/40/22/86/1349402286.db2.gz YPUVGJRMJQOFBB-UHFFFAOYSA-N -1 1 348.344 2.209 20 5 EEBDMM Cc1nsc(N2Cc3ccc([N+](=O)[O-])cc3C2)c1-c1nn[n-]n1 ZINC001592476750 1349635595 /nfs/dbraw/zinc/63/55/95/1349635595.db2.gz CFPVPMKAIWCAPA-UHFFFAOYSA-N -1 1 329.345 2.060 20 5 EEBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN(C)[C@@H](C(C)(C)C)C2)n1 ZINC001600104714 1349972317 /nfs/dbraw/zinc/97/23/17/1349972317.db2.gz CCBUSSBENXMNON-GFCCVEGCSA-N -1 1 336.392 2.163 20 5 EEBDMM O=C([O-])[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001601458033 1350288334 /nfs/dbraw/zinc/28/83/34/1350288334.db2.gz MBXGGOYTFHSYAC-AWEZNQCLSA-N -1 1 348.286 2.038 20 5 EEBDMM C[C@@H]1C[C@H](CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001603851233 1350782657 /nfs/dbraw/zinc/78/26/57/1350782657.db2.gz VHDNFNFELGKMCN-GHMZBOCLSA-N -1 1 332.364 2.392 20 5 EEBDMM C[C@@H]1C[C@H](CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001603851233 1350782663 /nfs/dbraw/zinc/78/26/63/1350782663.db2.gz VHDNFNFELGKMCN-GHMZBOCLSA-N -1 1 332.364 2.392 20 5 EEBDMM CCOC(=O)[C@H](CC)Sc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604362666 1350924041 /nfs/dbraw/zinc/92/40/41/1350924041.db2.gz LYFIDDFTVIYUNB-VIFPVBQESA-N -1 1 337.361 2.209 20 5 EEBDMM CCOC(=O)[C@H](CC)Sc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604362666 1350924042 /nfs/dbraw/zinc/92/40/42/1350924042.db2.gz LYFIDDFTVIYUNB-VIFPVBQESA-N -1 1 337.361 2.209 20 5 EEBDMM CCc1nc(CNc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)co1 ZINC001604557401 1350959999 /nfs/dbraw/zinc/95/99/99/1350959999.db2.gz NTKMKVQHIWWUEI-UHFFFAOYSA-N -1 1 329.320 2.246 20 5 EEBDMM 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1349638042 /nfs/dbraw/zinc/63/80/42/1349638042.db2.gz WKRDMWHXYLMWRM-QMMMGPOBSA-N -1 1 342.315 2.167 20 5 EEBDMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001593370202 1349791496 /nfs/dbraw/zinc/79/14/96/1349791496.db2.gz MXLTZPLDGPMNHD-UHFFFAOYSA-N -1 1 342.340 2.039 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCc1ccn2ccnc2c1 ZINC001593488549 1349815788 /nfs/dbraw/zinc/81/57/88/1349815788.db2.gz IEWPFBQBZGLQAC-UHFFFAOYSA-N -1 1 342.344 2.096 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCc1ccn2ccnc2c1 ZINC001593488549 1349815793 /nfs/dbraw/zinc/81/57/93/1349815793.db2.gz IEWPFBQBZGLQAC-UHFFFAOYSA-N -1 1 342.344 2.096 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@H]2CC[C@@H](C1)S2 ZINC001593487578 1349816390 /nfs/dbraw/zinc/81/63/90/1349816390.db2.gz IROLUMXPFBJBOM-SFYZADRCSA-N -1 1 338.418 2.311 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@H]2CC[C@@H](C1)S2 ZINC001593487578 1349816393 /nfs/dbraw/zinc/81/63/93/1349816393.db2.gz IROLUMXPFBJBOM-SFYZADRCSA-N -1 1 338.418 2.311 20 5 EEBDMM O=C([O-])c1cccc2c1CCN2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001602458092 1350523571 /nfs/dbraw/zinc/52/35/71/1350523571.db2.gz OCOHYPKEPBKGKT-UHFFFAOYSA-N -1 1 328.280 2.202 20 5 EEBDMM CC(C)C[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001603270974 1350676102 /nfs/dbraw/zinc/67/61/02/1350676102.db2.gz TZCHCFYNGBGMRN-SNVBAGLBSA-N -1 1 331.380 2.230 20 5 EEBDMM CC(C)C[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001603270974 1350676106 /nfs/dbraw/zinc/67/61/06/1350676106.db2.gz TZCHCFYNGBGMRN-SNVBAGLBSA-N -1 1 331.380 2.230 20 5 EEBDMM CC(C)CC[C@](C)(O)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603278479 1350678511 /nfs/dbraw/zinc/67/85/11/1350678511.db2.gz PITJFJGJQIYJOD-HNNXBMFYSA-N -1 1 334.380 2.374 20 5 EEBDMM CC(C)O[C@H]1CCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001603347269 1350692453 /nfs/dbraw/zinc/69/24/53/1350692453.db2.gz NGGABSAPTUVDFN-NSHDSACASA-N -1 1 332.364 2.169 20 5 EEBDMM CC(C)O[C@H]1CCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001603347269 1350692456 /nfs/dbraw/zinc/69/24/56/1350692456.db2.gz NGGABSAPTUVDFN-NSHDSACASA-N -1 1 332.364 2.169 20 5 EEBDMM CO[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C12CCC2 ZINC001605025469 1351059351 /nfs/dbraw/zinc/05/93/51/1351059351.db2.gz WZLZLLCAHVAUBK-OLZOCXBDSA-N -1 1 330.348 2.144 20 5 EEBDMM CO[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C12CCC2 ZINC001605025469 1351059355 /nfs/dbraw/zinc/05/93/55/1351059355.db2.gz WZLZLLCAHVAUBK-OLZOCXBDSA-N -1 1 330.348 2.144 20 5 EEBDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001606168612 1351280857 /nfs/dbraw/zinc/28/08/57/1351280857.db2.gz KJKSHHCDIVTMDC-MRVPVSSYSA-N -1 1 342.315 2.167 20 5 EEBDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001606168612 1351280860 /nfs/dbraw/zinc/28/08/60/1351280860.db2.gz KJKSHHCDIVTMDC-MRVPVSSYSA-N -1 1 342.315 2.167 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CCCC2(CCC2)O1 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Cc1nsc(NCCNc2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC001592491974 1404701378 /nfs/dbraw/zinc/70/13/78/1404701378.db2.gz ZNVSPNYSFOWPED-UHFFFAOYSA-N -1 1 346.376 2.064 20 5 EEBDMM CCOCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000170665764 790953323 /nfs/dbraw/zinc/95/33/23/790953323.db2.gz CHCALQHOFRKNRN-UHFFFAOYSA-N -1 1 336.797 2.343 20 5 EEBDMM O=C(NC/C=C\CNc1ccccc1[N+](=O)[O-])c1ncccc1[O-] ZINC001107140099 786018861 /nfs/dbraw/zinc/01/88/61/786018861.db2.gz XQFZUTAOKHBRQF-ARJAWSKDSA-N -1 1 328.328 2.094 20 5 EEBDMM COc1ccc(Nc2nc(N(C)C)[n-]c(=O)c2N=O)cc1[N+](=O)[O-] ZINC001176360885 798440013 /nfs/dbraw/zinc/44/00/13/798440013.db2.gz BWGYSLXZJKLUEG-UHFFFAOYSA-N -1 1 334.292 2.307 20 5 EEBDMM CN(Cc1nc2c(s1)CCCC2)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000174992486 530023136 /nfs/dbraw/zinc/02/31/36/530023136.db2.gz KOBRUGMRUWTWCS-UHFFFAOYSA-N -1 1 348.384 2.303 20 5 EEBDMM O=C(NCCc1nc2c(s1)CCCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187210840 236147082 /nfs/dbraw/zinc/14/70/82/236147082.db2.gz OEOOEHYSIKTEKW-UHFFFAOYSA-N -1 1 348.384 2.003 20 5 EEBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000080788064 217332369 /nfs/dbraw/zinc/33/23/69/217332369.db2.gz ZIAHKVINFWSRSQ-CYBMUJFWSA-N -1 1 340.357 2.162 20 5 EEBDMM CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccsc1 ZINC000274681008 256379321 /nfs/dbraw/zinc/37/93/21/256379321.db2.gz IKLJCMGZVDFBAF-CYBMUJFWSA-N -1 1 335.385 2.395 20 5 EEBDMM Cc1cn(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)c(=O)[nH]1 ZINC000357757821 153328237 /nfs/dbraw/zinc/32/82/37/153328237.db2.gz BLGZTYNXOHDWQE-UHFFFAOYSA-N -1 1 327.300 2.375 20 5 EEBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000342488896 161069378 /nfs/dbraw/zinc/06/93/78/161069378.db2.gz LGINHGNLOWWEEZ-YFKPBYRVSA-N -1 1 348.431 2.164 20 5 EEBDMM CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000345022775 161264803 /nfs/dbraw/zinc/26/48/03/161264803.db2.gz DMQJZKIGRSJUFU-YMTOWFKASA-N -1 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/nfs/dbraw/zinc/22/60/79/578226079.db2.gz MSDAZTDSWPWEIW-UHFFFAOYSA-N -1 1 345.750 2.460 20 5 EEBDMM CCc1cnc(CCNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)s1 ZINC000821497541 607347787 /nfs/dbraw/zinc/34/77/87/607347787.db2.gz VQMXUHFDLCFGHF-UHFFFAOYSA-N -1 1 345.388 2.448 20 5 EEBDMM Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000832973113 604743588 /nfs/dbraw/zinc/74/35/88/604743588.db2.gz WCWVOYZONRFTDR-LLVKDONJSA-N -1 1 335.360 2.027 20 5 EEBDMM CC(C)c1[nH]nc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC000827097584 604904912 /nfs/dbraw/zinc/90/49/12/604904912.db2.gz RRQYNGXQKSSLAB-CYBMUJFWSA-N -1 1 346.343 2.339 20 5 EEBDMM CC(C)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])OCC1CC1 ZINC000841561669 1315578424 /nfs/dbraw/zinc/57/84/24/1315578424.db2.gz YEZUXPTYQXBGJQ-UHFFFAOYSA-N -1 1 346.380 2.217 20 5 EEBDMM O=C1COc2cc3[nH]c(-c4cccc([N+](=O)[O-])c4[O-])nc3cc2N1 ZINC001251271974 1317442770 /nfs/dbraw/zinc/44/27/70/1317442770.db2.gz OLXVHKGTZAHTPM-UHFFFAOYSA-N -1 1 326.268 2.175 20 5 EEBDMM C[C@@H]1CN(CCc2nnc(-c3ccc([N+](=O)[O-])cc3[O-])o2)C[C@@H](C)O1 ZINC001258146507 1319189958 /nfs/dbraw/zinc/18/99/58/1319189958.db2.gz NYZAPZVKSQUJAX-GHMZBOCLSA-N -1 1 348.359 2.002 20 5 EEBDMM C[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001309924849 1331647777 /nfs/dbraw/zinc/64/77/77/1331647777.db2.gz IMNHRINUQRZDNM-LLVKDONJSA-N -1 1 347.824 2.011 20 5 EEBDMM CC(C)CC[C@](C)(O)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609094408 1351840913 /nfs/dbraw/zinc/84/09/13/1351840913.db2.gz XDPOOTFTRSWAGQ-HNNXBMFYSA-N -1 1 334.380 2.374 20 5 EEBDMM CC(C)CC[C@](C)(O)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609094408 1351840916 /nfs/dbraw/zinc/84/09/16/1351840916.db2.gz XDPOOTFTRSWAGQ-HNNXBMFYSA-N -1 1 334.380 2.374 20 5 EEBDMM CC1(C)C[C@@H](CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001609144258 1351861174 /nfs/dbraw/zinc/86/11/74/1351861174.db2.gz OPCGEGCMQFZIKX-JTQLQIEISA-N -1 1 332.364 2.392 20 5 EEBDMM CC1(C)C[C@@H](CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001609144258 1351861175 /nfs/dbraw/zinc/86/11/75/1351861175.db2.gz OPCGEGCMQFZIKX-JTQLQIEISA-N -1 1 332.364 2.392 20 5 EEBDMM C[C@@]1(C(=O)[O-])CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC001609811134 1352091270 /nfs/dbraw/zinc/09/12/70/1352091270.db2.gz KMLNKCCMVHCGNM-MRXNPFEDSA-N -1 1 336.344 2.053 20 5 EEBDMM COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC001610214099 1352187229 /nfs/dbraw/zinc/18/72/29/1352187229.db2.gz FTPHHYPXSJTILP-INIZCTEOSA-N -1 1 336.344 2.068 20 5 EEBDMM CO[C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC001610237234 1352192185 /nfs/dbraw/zinc/19/21/85/1352192185.db2.gz KQNRWRIEJXWYAV-GWCFXTLKSA-N -1 1 328.752 2.312 20 5 EEBDMM CC1(C)CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCS1 ZINC001590100125 1349154407 /nfs/dbraw/zinc/15/44/07/1349154407.db2.gz LYOXBUWKGAYXAU-UHFFFAOYSA-N -1 1 349.420 2.079 20 5 EEBDMM CC1(C)CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCS1 ZINC001590100125 1349154411 /nfs/dbraw/zinc/15/44/11/1349154411.db2.gz LYOXBUWKGAYXAU-UHFFFAOYSA-N -1 1 349.420 2.079 20 5 EEBDMM C[C@]1(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCCC[C@H]1O ZINC001590134247 1349169580 /nfs/dbraw/zinc/16/95/80/1349169580.db2.gz SAXVEFPWAGLXFX-ZWNOBZJWSA-N -1 1 338.393 2.190 20 5 EEBDMM C[C@]1(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCCC[C@H]1O ZINC001590134247 1349169589 /nfs/dbraw/zinc/16/95/89/1349169589.db2.gz SAXVEFPWAGLXFX-ZWNOBZJWSA-N -1 1 338.393 2.190 20 5 EEBDMM CCc1noc(C)c1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590934739 1349420193 /nfs/dbraw/zinc/42/01/93/1349420193.db2.gz XAEPXNUPQWFADG-UHFFFAOYSA-N -1 1 329.320 2.246 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CCCC(F)(F)C1 ZINC001593465104 1349802717 /nfs/dbraw/zinc/80/27/17/1349802717.db2.gz BPXTUANWKFIJKF-QMMMGPOBSA-N -1 1 339.306 2.407 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CCCC(F)(F)C1 ZINC001593465104 1349802720 /nfs/dbraw/zinc/80/27/20/1349802720.db2.gz BPXTUANWKFIJKF-QMMMGPOBSA-N -1 1 339.306 2.407 20 5 EEBDMM O=[N+]([O-])c1cc(NCC2(c3ccccn3)CC2)ccc1-c1nn[n-]n1 ZINC001593473538 1349807813 /nfs/dbraw/zinc/80/78/13/1349807813.db2.gz HALGJDXXIIBFMN-UHFFFAOYSA-N -1 1 337.343 2.314 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC001593488710 1349816250 /nfs/dbraw/zinc/81/62/50/1349816250.db2.gz KOCURJODHMNNBM-PSASIEDQSA-N -1 1 336.377 2.206 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC001593488710 1349816253 /nfs/dbraw/zinc/81/62/53/1349816253.db2.gz KOCURJODHMNNBM-PSASIEDQSA-N -1 1 336.377 2.206 20 5 EEBDMM O=C([O-])[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)Cc2ccccc21 ZINC001594948514 1349878927 /nfs/dbraw/zinc/87/89/27/1349878927.db2.gz DEKWUAXDMUFCDN-HNNXBMFYSA-N -1 1 342.307 2.125 20 5 EEBDMM O=C([O-])[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]2CCC[C@H]21 ZINC001601824851 1350373865 /nfs/dbraw/zinc/37/38/65/1350373865.db2.gz MQBOBXISZDCAGL-MJBXVCDLSA-N -1 1 334.328 2.016 20 5 EEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](c3ccncn3)C2)c1 ZINC001602403876 1350511496 /nfs/dbraw/zinc/51/14/96/1350511496.db2.gz PTCZXVWHYICAGI-CYBMUJFWSA-N -1 1 342.355 2.463 20 5 EEBDMM CC(C)[C@@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCCO1 ZINC001603249384 1350671797 /nfs/dbraw/zinc/67/17/97/1350671797.db2.gz OIRWRYGMQBBLKV-ZDUSSCGKSA-N -1 1 332.364 2.026 20 5 EEBDMM CC(C)[C@@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCO1 ZINC001603249384 1350671804 /nfs/dbraw/zinc/67/18/04/1350671804.db2.gz OIRWRYGMQBBLKV-ZDUSSCGKSA-N -1 1 332.364 2.026 20 5 EEBDMM C[C@](NCc1cnc(C2CC2)nc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604347339 1350921002 /nfs/dbraw/zinc/92/10/02/1350921002.db2.gz CJBXHPBACAKEFL-QGZVFWFLSA-N -1 1 342.355 2.352 20 5 EEBDMM CN(C)c1ccc(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cn1 ZINC001604703901 1350988056 /nfs/dbraw/zinc/98/80/56/1350988056.db2.gz DUFKCUYREGZZLY-UHFFFAOYSA-N -1 1 332.349 2.041 20 5 EEBDMM COC1(C)CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001606714557 1351345478 /nfs/dbraw/zinc/34/54/78/1351345478.db2.gz GCGPQYQTBXCRML-UHFFFAOYSA-N -1 1 338.360 2.059 20 5 EEBDMM O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1ccc(-c2nn[n-]n2)o1 ZINC001606939544 1351380449 /nfs/dbraw/zinc/38/04/49/1351380449.db2.gz YJOJASRIRLSUJX-UHFFFAOYSA-N -1 1 334.679 2.274 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CCCC2(CCC2)O1 ZINC001607077160 1351407050 /nfs/dbraw/zinc/40/70/50/1351407050.db2.gz MYIPTTFKRCKQBQ-JTQLQIEISA-N -1 1 345.363 2.074 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CCCC2(CCC2)O1 ZINC001607077160 1351407052 /nfs/dbraw/zinc/40/70/52/1351407052.db2.gz MYIPTTFKRCKQBQ-JTQLQIEISA-N -1 1 345.363 2.074 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC1([C@H]2CCCO2)CCC1 ZINC001607085671 1351411920 /nfs/dbraw/zinc/41/19/20/1351411920.db2.gz JIYPGKNOVUGLIX-SNVBAGLBSA-N -1 1 336.377 2.350 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC1([C@H]2CCCO2)CCC1 ZINC001607085671 1351411921 /nfs/dbraw/zinc/41/19/21/1351411921.db2.gz JIYPGKNOVUGLIX-SNVBAGLBSA-N 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CCn1cc(S(=O)(=O)[N-]CCCC2CCCC2)c([N+](=O)[O-])n1 ZINC000339048995 465051550 /nfs/dbraw/zinc/05/15/50/465051550.db2.gz NRLAQCRLLYOHOX-UHFFFAOYSA-N -1 1 330.410 2.060 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](c2ccncc2)C1 ZINC000579017261 468297948 /nfs/dbraw/zinc/29/79/48/468297948.db2.gz UDZNSXBAYDBNMR-LBPRGKRZSA-N -1 1 328.328 2.110 20 5 EEBDMM CCC[C@H](NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000136680191 463253025 /nfs/dbraw/zinc/25/30/25/463253025.db2.gz GMKSJPUIQBVAEX-VIFPVBQESA-N -1 1 336.377 2.101 20 5 EEBDMM O=C(NCc1csc(-c2ccco2)n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000160524773 463346935 /nfs/dbraw/zinc/34/69/35/463346935.db2.gz XGKZXKMMKJBGGP-UHFFFAOYSA-N -1 1 346.324 2.342 20 5 EEBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000080801343 463358094 /nfs/dbraw/zinc/35/80/94/463358094.db2.gz VBVNCVQKORNUTA-NWDGAFQWSA-N -1 1 335.385 2.460 20 5 EEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)cc1[N+](=O)[O-] ZINC000071091586 463407624 /nfs/dbraw/zinc/40/76/24/463407624.db2.gz UWNPFCVIBCFDAV-UHFFFAOYSA-N -1 1 347.352 2.199 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCS1 ZINC000152295768 463672865 /nfs/dbraw/zinc/67/28/65/463672865.db2.gz XYQBLDKWCURUTB-QMMMGPOBSA-N -1 1 336.822 2.422 20 5 EEBDMM C[C@H]1CCN(C)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000569931095 468565826 /nfs/dbraw/zinc/56/58/26/468565826.db2.gz SIBRKNRLKWWSCF-VIFPVBQESA-N -1 1 327.768 2.120 20 5 EEBDMM CCOC(=O)c1cc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])c(F)cc1C ZINC000253423036 465009203 /nfs/dbraw/zinc/00/92/03/465009203.db2.gz BHBUEQIQMKPYOL-UHFFFAOYSA-N -1 1 336.279 2.194 20 5 EEBDMM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000331218303 465985447 /nfs/dbraw/zinc/98/54/47/465985447.db2.gz HGMHHKKOXPWQBY-WDEREUQCSA-N -1 1 330.410 2.058 20 5 EEBDMM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2sccc2F)cc1 ZINC000338851465 466425896 /nfs/dbraw/zinc/42/58/96/466425896.db2.gz MWMQLEZPQPVKNO-UHFFFAOYSA-N -1 1 345.377 2.186 20 5 EEBDMM COC(=O)c1c[n-]c(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000432665281 467256986 /nfs/dbraw/zinc/25/69/86/467256986.db2.gz HSZKXIOQPNMMGQ-UHFFFAOYSA-N -1 1 333.329 2.273 20 5 EEBDMM CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)c1nn[n-]n1 ZINC000413597989 467274974 /nfs/dbraw/zinc/27/49/74/467274974.db2.gz YCPZXKDCNNXKCH-NSHDSACASA-N -1 1 348.363 2.166 20 5 EEBDMM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000531169870 468033592 /nfs/dbraw/zinc/03/35/92/468033592.db2.gz JYOGAGQFJFETED-MNOVXSKESA-N -1 1 345.446 2.332 20 5 EEBDMM CC(C)[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C ZINC000578752375 468251669 /nfs/dbraw/zinc/25/16/69/468251669.db2.gz LQCWNQYPRMGKMG-CYBMUJFWSA-N -1 1 341.795 2.366 20 5 EEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1C(F)(F)F ZINC000601521236 468905576 /nfs/dbraw/zinc/90/55/76/468905576.db2.gz LOGTWICDUDOUQC-RNFRBKRXSA-N -1 1 344.698 2.477 20 5 EEBDMM CN(c1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000598775908 469001386 /nfs/dbraw/zinc/00/13/86/469001386.db2.gz YQHCNZVAVGOTDV-CYBMUJFWSA-N -1 1 342.355 2.046 20 5 EEBDMM CC(C)N(CCC(=O)[O-])Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000593745790 469120330 /nfs/dbraw/zinc/12/03/30/469120330.db2.gz CCFMHXUMDZDJPK-UHFFFAOYSA-N -1 1 334.332 2.330 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCO[C@H](c2ccccc2)C1 ZINC000618374438 469978827 /nfs/dbraw/zinc/97/88/27/469978827.db2.gz UWTNBCPRRKCAMZ-HNNXBMFYSA-N -1 1 343.339 2.299 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1Cc2ccccc2C(F)(F)C1 ZINC000618383341 469980259 /nfs/dbraw/zinc/98/02/59/469980259.db2.gz JOOMTYFIBJRTTM-UHFFFAOYSA-N -1 1 335.266 2.443 20 5 EEBDMM O=[N+]([O-])c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000738361683 576345866 /nfs/dbraw/zinc/34/58/66/576345866.db2.gz XZDSMKUAVPOHGJ-UHFFFAOYSA-N -1 1 331.723 2.435 20 5 EEBDMM O=[N+]([O-])c1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000738361683 576345869 /nfs/dbraw/zinc/34/58/69/576345869.db2.gz XZDSMKUAVPOHGJ-UHFFFAOYSA-N -1 1 331.723 2.435 20 5 EEBDMM COc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(C)c1 ZINC000768861735 577564506 /nfs/dbraw/zinc/56/45/06/577564506.db2.gz BOIJISQRMQLAHB-UHFFFAOYSA-N -1 1 342.398 2.452 20 5 EEBDMM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000770715451 577602346 /nfs/dbraw/zinc/60/23/46/577602346.db2.gz GWOYGGWTVMRHRZ-JTQLQIEISA-N -1 1 339.348 2.477 20 5 EEBDMM Cc1c(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000737217325 578244033 /nfs/dbraw/zinc/24/40/33/578244033.db2.gz BQYHUVOPCLEEEX-UHFFFAOYSA-N -1 1 343.259 2.179 20 5 EEBDMM Cc1c(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000737217325 578244034 /nfs/dbraw/zinc/24/40/34/578244034.db2.gz BQYHUVOPCLEEEX-UHFFFAOYSA-N -1 1 343.259 2.179 20 5 EEBDMM O=C([O-])C=Cc1ccc(N[C@H]2CCc3[nH]cnc3C2)c([N+](=O)[O-])c1 ZINC000833196822 604810751 /nfs/dbraw/zinc/81/07/51/604810751.db2.gz FCJMMDIHRQZSKA-ZYVOWACSSA-N -1 1 328.328 2.385 20 5 EEBDMM O=[N+]([O-])c1c(NCC(F)F)cc(NCC(F)F)cc1-c1nnn[n-]1 ZINC000823629928 606420292 /nfs/dbraw/zinc/42/02/92/606420292.db2.gz MHDSJQXJQWNRQM-UHFFFAOYSA-N -1 1 349.248 2.129 20 5 EEBDMM O=[N+]([O-])c1c(NCC(F)F)cc(NCC(F)F)cc1-c1nn[n-]n1 ZINC000823629928 606420294 /nfs/dbraw/zinc/42/02/94/606420294.db2.gz MHDSJQXJQWNRQM-UHFFFAOYSA-N -1 1 349.248 2.129 20 5 EEBDMM C[C@H]1C[C@H]1c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])o1 ZINC000820678438 606699415 /nfs/dbraw/zinc/69/94/15/606699415.db2.gz VJOMDYSXDNBPLC-GZMMTYOYSA-N -1 1 341.331 2.498 20 5 EEBDMM C[C@H]1C[C@H]1c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])o1 ZINC000820678438 606699417 /nfs/dbraw/zinc/69/94/17/606699417.db2.gz VJOMDYSXDNBPLC-GZMMTYOYSA-N -1 1 341.331 2.498 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1C[C@H]1Cc1ccccc1 ZINC000823620587 606712885 /nfs/dbraw/zinc/71/28/85/606712885.db2.gz MWHAECXHWWTGQL-YPMHNXCESA-N -1 1 337.343 2.213 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1C[C@H]1Cc1ccccc1 ZINC000823620587 606712887 /nfs/dbraw/zinc/71/28/87/606712887.db2.gz MWHAECXHWWTGQL-YPMHNXCESA-N -1 1 337.343 2.213 20 5 EEBDMM C[C@@H](OCCCC[P@](=O)([O-])O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001225019709 1300832473 /nfs/dbraw/zinc/83/24/73/1300832473.db2.gz ABKPCXAFLFMHIF-SECBINFHSA-N -1 1 347.260 2.359 20 5 EEBDMM COC(=O)[C@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001231261240 1303709558 /nfs/dbraw/zinc/70/95/58/1303709558.db2.gz ZPKWQQBJJXHMRE-CYBMUJFWSA-N -1 1 336.275 2.436 20 5 EEBDMM COCc1nsc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000784481809 1304487027 /nfs/dbraw/zinc/48/70/27/1304487027.db2.gz RPNDKYBKMBIBSQ-UHFFFAOYSA-N -1 1 328.737 2.498 20 5 EEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2cccnc2)cc1Cl ZINC000798223987 1304952766 /nfs/dbraw/zinc/95/27/66/1304952766.db2.gz CHADJYKMRBLABW-UHFFFAOYSA-N -1 1 345.739 2.261 20 5 EEBDMM CCc1nc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])co1 ZINC000832477756 1314678478 /nfs/dbraw/zinc/67/84/78/1314678478.db2.gz CFRSWLFYJSTRHI-UHFFFAOYSA-N -1 1 339.373 2.241 20 5 EEBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000841552526 1315576467 /nfs/dbraw/zinc/57/64/67/1315576467.db2.gz WUVMIBBQZPDXGK-QMMMGPOBSA-N -1 1 344.780 2.021 20 5 EEBDMM C[C@@H]1CN(CCc2nnc(-c3ccc([N+](=O)[O-])cc3[O-])o2)C[C@H](C)O1 ZINC001258146508 1319188682 /nfs/dbraw/zinc/18/86/82/1319188682.db2.gz NYZAPZVKSQUJAX-PHIMTYICSA-N -1 1 348.359 2.002 20 5 EEBDMM Cc1nccn1-c1ccncc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001320178871 1332844597 /nfs/dbraw/zinc/84/45/97/1332844597.db2.gz QCRAOOBLJAVJGU-UHFFFAOYSA-N -1 1 339.311 2.442 20 5 EEBDMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC2(CCCC2)O1 ZINC001609175773 1351877737 /nfs/dbraw/zinc/87/77/37/1351877737.db2.gz YATSSPOVOZOAAE-LLVKDONJSA-N -1 1 344.375 2.313 20 5 EEBDMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC2(CCCC2)O1 ZINC001609175773 1351877741 /nfs/dbraw/zinc/87/77/41/1351877741.db2.gz YATSSPOVOZOAAE-LLVKDONJSA-N -1 1 344.375 2.313 20 5 EEBDMM COc1cccc(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001609362274 1351947464 /nfs/dbraw/zinc/94/74/64/1351947464.db2.gz DXLVLLIJUCFNPB-UHFFFAOYSA-N -1 1 330.329 2.330 20 5 EEBDMM O=[N+]([O-])c1ncccc1Oc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609604500 1352032627 /nfs/dbraw/zinc/03/26/27/1352032627.db2.gz TVQMSJCCBVMPSS-UHFFFAOYSA-N -1 1 325.697 2.072 20 5 EEBDMM O=[N+]([O-])c1ncccc1Oc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609604500 1352032630 /nfs/dbraw/zinc/03/26/30/1352032630.db2.gz TVQMSJCCBVMPSS-UHFFFAOYSA-N -1 1 325.697 2.072 20 5 EEBDMM O=C([O-])c1cccc2nc(NC(=O)c3ccccc3[N+](=O)[O-])[nH]c21 ZINC001610712444 1352263326 /nfs/dbraw/zinc/26/33/26/1352263326.db2.gz AHDBSHGXQHXYSN-UHFFFAOYSA-N -1 1 326.268 2.422 20 5 EEBDMM CN(CCC1CCOCC1)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591066939 1349438271 /nfs/dbraw/zinc/43/82/71/1349438271.db2.gz MKWULKDYQKSDGA-UHFFFAOYSA-N -1 1 332.364 2.028 20 5 EEBDMM CN(CCC1CCOCC1)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591066939 1349438280 /nfs/dbraw/zinc/43/82/80/1349438280.db2.gz MKWULKDYQKSDGA-UHFFFAOYSA-N -1 1 332.364 2.028 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCc3c(F)cccc3C2)cc1-c1nnn[n-]1 ZINC001593478671 1349810910 /nfs/dbraw/zinc/81/09/10/1349810910.db2.gz JNAIJSNUKQRABS-UHFFFAOYSA-N -1 1 340.318 2.477 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCc3c(F)cccc3C2)cc1-c1nn[n-]n1 ZINC001593478671 1349810911 /nfs/dbraw/zinc/81/09/11/1349810911.db2.gz JNAIJSNUKQRABS-UHFFFAOYSA-N -1 1 340.318 2.477 20 5 EEBDMM O=[N+]([O-])c1ccc(NCc2ccn3ccnc3c2)cc1-c1nn[n-]n1 ZINC001593478869 1349812137 /nfs/dbraw/zinc/81/21/37/1349812137.db2.gz OANJLZDXAZOTEB-UHFFFAOYSA-N -1 1 336.315 2.035 20 5 EEBDMM CC(C)[C@H](O)C(C)(C)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603231405 1350667506 /nfs/dbraw/zinc/66/75/06/1350667506.db2.gz UHGZUSLFUNWGRD-ZDUSSCGKSA-N -1 1 334.380 2.230 20 5 EEBDMM C[C@](O)(CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccccc1 ZINC001603690873 1350743275 /nfs/dbraw/zinc/74/32/75/1350743275.db2.gz PHZPQPLNZXNVPD-AWEZNQCLSA-N -1 1 346.372 2.156 20 5 EEBDMM C[C@](O)(CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccccc1 ZINC001603690873 1350743276 /nfs/dbraw/zinc/74/32/76/1350743276.db2.gz PHZPQPLNZXNVPD-AWEZNQCLSA-N -1 1 346.372 2.156 20 5 EEBDMM CCCc1cncc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001604246129 1350901527 /nfs/dbraw/zinc/90/15/27/1350901527.db2.gz UICJIMDUMVZTDD-UHFFFAOYSA-N -1 1 327.304 2.310 20 5 EEBDMM CCCc1cncc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001604246129 1350901533 /nfs/dbraw/zinc/90/15/33/1350901533.db2.gz UICJIMDUMVZTDD-UHFFFAOYSA-N -1 1 327.304 2.310 20 5 EEBDMM COc1ccc(Oc2snc(C)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001605305817 1351132008 /nfs/dbraw/zinc/13/20/08/1351132008.db2.gz XATKWOMFRWGXOI-UHFFFAOYSA-N -1 1 334.317 2.341 20 5 EEBDMM COc1ccc(Oc2snc(C)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001605305817 1351132011 /nfs/dbraw/zinc/13/20/11/1351132011.db2.gz XATKWOMFRWGXOI-UHFFFAOYSA-N -1 1 334.317 2.341 20 5 EEBDMM C[C@]12CN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001591780260 1403946323 /nfs/dbraw/zinc/94/63/23/1403946323.db2.gz GLAIGALZZPYHRE-AXPHHGHSSA-N -1 1 341.375 2.042 20 5 EEBDMM C[C@]12CN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001591780260 1403946327 /nfs/dbraw/zinc/94/63/27/1403946327.db2.gz GLAIGALZZPYHRE-AXPHHGHSSA-N -1 1 341.375 2.042 20 5 EEBDMM Cc1cc(NC/C=C\CNC(=O)c2ncccc2[O-])ccc1[N+](=O)[O-] ZINC001107139020 785966796 /nfs/dbraw/zinc/96/67/96/785966796.db2.gz GCLWNVDHKKXGSD-IHWYPQMZSA-N -1 1 342.355 2.402 20 5 EEBDMM CN(Cc1ccc(F)cc1F)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821611083 786823179 /nfs/dbraw/zinc/82/31/79/786823179.db2.gz PZXUAWPWAYZPQK-UHFFFAOYSA-N -1 1 347.285 2.085 20 5 EEBDMM CN(Cc1ccc(F)cc1F)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821611083 786823189 /nfs/dbraw/zinc/82/31/89/786823189.db2.gz PZXUAWPWAYZPQK-UHFFFAOYSA-N -1 1 347.285 2.085 20 5 EEBDMM CN(CCCNc1ccc([N+](=O)[O-])cc1F)C(=O)c1ncccc1[O-] ZINC001109437058 805463469 /nfs/dbraw/zinc/46/34/69/805463469.db2.gz YBIBMPTWZSCXKV-UHFFFAOYSA-N -1 1 348.334 2.409 20 5 EEBDMM COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC001593887227 955759660 /nfs/dbraw/zinc/75/96/60/955759660.db2.gz NATOWJMSBDOHFC-ZYHUDNBSSA-N -1 1 336.344 2.067 20 5 EEBDMM C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ncc(C(=O)[O-])s1 ZINC001593246486 994452662 /nfs/dbraw/zinc/45/26/62/994452662.db2.gz MCAIMZFLJOIETO-KWQFWETISA-N -1 1 337.357 2.134 20 5 EEBDMM C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001593270939 994599314 /nfs/dbraw/zinc/59/93/14/994599314.db2.gz BZJRZNNTGPYOCV-VIFPVBQESA-N -1 1 337.357 2.479 20 5 EEBDMM CC(C)n1c(CNC(=O)c2ccc([N+](=O)[O-])cc2F)n[n-]c1=S ZINC000066640800 215062499 /nfs/dbraw/zinc/06/24/99/215062499.db2.gz KBKCKMHULBEOND-UHFFFAOYSA-N -1 1 339.352 2.499 20 5 EEBDMM C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)COCc1ccccc1 ZINC000193453243 240171687 /nfs/dbraw/zinc/17/16/87/240171687.db2.gz RNDVCXFWYJNQKY-LBPRGKRZSA-N -1 1 345.355 2.278 20 5 EEBDMM CCCOc1cccc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000193738043 240289637 /nfs/dbraw/zinc/28/96/37/240289637.db2.gz 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O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3cc[nH]c3n2)s1 ZINC000352522702 162171800 /nfs/dbraw/zinc/17/18/00/162171800.db2.gz PDZCAOROFXVHBB-UHFFFAOYSA-N -1 1 338.370 2.011 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-]CC2(CC)CCCCC2)c([N+](=O)[O-])n1 ZINC000358200938 163861325 /nfs/dbraw/zinc/86/13/25/163861325.db2.gz PEOFSXHZIQYDKB-UHFFFAOYSA-N -1 1 344.437 2.450 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](c2ccccc2F)C1 ZINC000277690778 269172809 /nfs/dbraw/zinc/17/28/09/269172809.db2.gz JXFCVJVNSNZISW-SNVBAGLBSA-N -1 1 331.303 2.464 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](COc2ccccc2)C1 ZINC000278178785 269213785 /nfs/dbraw/zinc/21/37/85/269213785.db2.gz ZPLBSUJACQXBHV-GFCCVEGCSA-N -1 1 343.339 2.237 20 5 EEBDMM CC(C)c1ncc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000280335627 269352717 /nfs/dbraw/zinc/35/27/17/269352717.db2.gz QVYQBDGFSGSORF-UHFFFAOYSA-N -1 1 336.373 2.450 20 5 EEBDMM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1c([O-])cccc1F ZINC000444642471 315314091 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O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(F)(c2cccnc2)CC1 ZINC000376991419 466989830 /nfs/dbraw/zinc/98/98/30/466989830.db2.gz DPZZJGROXIVVRW-UHFFFAOYSA-N -1 1 346.318 2.191 20 5 EEBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n(Cc2ccccn2)n1 ZINC000431554860 467524668 /nfs/dbraw/zinc/52/46/68/467524668.db2.gz FFVGRANOMUMBOL-UHFFFAOYSA-N -1 1 326.316 2.123 20 5 EEBDMM CC(C)[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C ZINC000578752376 468251244 /nfs/dbraw/zinc/25/12/44/468251244.db2.gz LQCWNQYPRMGKMG-ZDUSSCGKSA-N -1 1 341.795 2.366 20 5 EEBDMM CC(C)(CO)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000597579657 468606515 /nfs/dbraw/zinc/60/65/15/468606515.db2.gz NNIPJYVVGJLXHO-CQSZACIVSA-N -1 1 345.355 2.185 20 5 EEBDMM CC(C)(C)C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000593696428 469097804 /nfs/dbraw/zinc/09/78/04/469097804.db2.gz HHROZLWWJCAFRJ-LLVKDONJSA-N -1 1 334.332 2.090 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1(c2ccccc2)CCC1 ZINC000610260455 469995852 /nfs/dbraw/zinc/99/58/52/469995852.db2.gz UGWHRVTVRMFYOU-UHFFFAOYSA-N -1 1 333.369 2.348 20 5 EEBDMM CC(C)(C)CCN1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000160094208 527664507 /nfs/dbraw/zinc/66/45/07/527664507.db2.gz QETXJJPJRHXQAW-UHFFFAOYSA-N -1 1 335.404 2.494 20 5 EEBDMM CCC(CC)[C@@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCO1 ZINC000193869943 535130704 /nfs/dbraw/zinc/13/07/04/535130704.db2.gz LJESMDGTTWQWLC-OCCSQVGLSA-N -1 1 337.376 2.409 20 5 EEBDMM O=c1c(-c2nn[n-]n2)cn(Cc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC000738372767 578011503 /nfs/dbraw/zinc/01/15/03/578011503.db2.gz VAWZMVQJJHLYQX-UHFFFAOYSA-N -1 1 348.322 2.138 20 5 EEBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)NCCC1=CCCCC1 ZINC000769045780 577567961 /nfs/dbraw/zinc/56/79/61/577567961.db2.gz IPIYZUPYOGQPGE-UHFFFAOYSA-N -1 1 348.355 2.464 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCn1cccc1 ZINC000749300273 577974230 /nfs/dbraw/zinc/97/42/30/577974230.db2.gz GFSVNBPJVXNNED-UHFFFAOYSA-N -1 1 329.765 2.028 20 5 EEBDMM O=C([O-])C[C@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000819380500 597076871 /nfs/dbraw/zinc/07/68/71/597076871.db2.gz OUZZHLWUOMSRMP-LLVKDONJSA-N -1 1 346.343 2.332 20 5 EEBDMM Cc1nn(CN2CCC[C@H](CC(=O)[O-])C2)c2cc([N+](=O)[O-])ccc12 ZINC000821216799 597465139 /nfs/dbraw/zinc/46/51/39/597465139.db2.gz NYYUGLYTAYVXMD-GFCCVEGCSA-N -1 1 332.360 2.397 20 5 EEBDMM O=[N+]([O-])c1cc(F)cc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000823634476 607331396 /nfs/dbraw/zinc/33/13/96/607331396.db2.gz GZOJYAGLIOHMJZ-UHFFFAOYSA-N -1 1 347.222 2.010 20 5 EEBDMM O=[N+]([O-])c1cc(F)cc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000823634476 607331397 /nfs/dbraw/zinc/33/13/97/607331397.db2.gz GZOJYAGLIOHMJZ-UHFFFAOYSA-N -1 1 347.222 2.010 20 5 EEBDMM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])O1 ZINC000841534462 1187116761 /nfs/dbraw/zinc/11/67/61/1187116761.db2.gz KEYROTJVTCRYFL-PSASIEDQSA-N -1 1 334.781 2.094 20 5 EEBDMM Cc1cc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000007532055 1205579671 /nfs/dbraw/zinc/57/96/71/1205579671.db2.gz QSTYIEOEPKJGDU-UHFFFAOYSA-N -1 1 342.307 2.017 20 5 EEBDMM CCSC1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000851820154 1291860372 /nfs/dbraw/zinc/86/03/72/1291860372.db2.gz RXZLJVOTJIJFAD-UHFFFAOYSA-N -1 1 334.394 2.298 20 5 EEBDMM Cn1[n-]cc2c(=NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccnc1-2 ZINC000798234034 1304957940 /nfs/dbraw/zinc/95/79/40/1304957940.db2.gz JWSISBOFMZZBDB-UHFFFAOYSA-N -1 1 331.719 2.156 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCC[C@H]1CCOC1 ZINC000832578975 1314686378 /nfs/dbraw/zinc/68/63/78/1314686378.db2.gz AMGWETLLBRIVML-JTQLQIEISA-N -1 1 348.808 2.343 20 5 EEBDMM CC(C)(CCC(=O)OCc1cc(=O)oc2cc([O-])ccc12)[N+](=O)[O-] ZINC000837925191 1315122540 /nfs/dbraw/zinc/12/25/40/1315122540.db2.gz YYOPIDOYODPVBL-UHFFFAOYSA-N -1 1 335.312 2.377 20 5 EEBDMM Cc1cnc(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[n-]c1=O ZINC001307346665 1331528552 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O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC[C@@H](OC(F)F)C1 ZINC001607085770 1351411769 /nfs/dbraw/zinc/41/17/69/1351411769.db2.gz NEPBYEAGYBLYCD-ZCFIWIBFSA-N -1 1 346.319 2.044 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC[C@@H](OC(F)F)C1 ZINC001607085770 1351411770 /nfs/dbraw/zinc/41/17/70/1351411770.db2.gz NEPBYEAGYBLYCD-ZCFIWIBFSA-N -1 1 346.319 2.044 20 5 EEBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1[C@@H](C)CC(C(=O)[O-])C[C@@H]1C ZINC001607826290 1351566119 /nfs/dbraw/zinc/56/61/19/1351566119.db2.gz LBAVASLNDRQVFV-RYUDHWBXSA-N -1 1 349.387 2.415 20 5 EEBDMM Cc1ncsc1CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001607992895 1351599501 /nfs/dbraw/zinc/59/95/01/1351599501.db2.gz CZXNBUHYLZHPHP-UHFFFAOYSA-N -1 1 337.357 2.113 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2C[C@H](C)O[C@@H]2C)cc1F ZINC000867404089 1368841788 /nfs/dbraw/zinc/84/17/88/1368841788.db2.gz DWQWFNZOCKBJCI-AXFHLTTASA-N -1 1 346.380 2.134 20 5 EEBDMM COC(=O)[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccsc1 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463079173 /nfs/dbraw/zinc/07/91/73/463079173.db2.gz HGKUFAQMHYSXQB-UHFFFAOYSA-N -1 1 327.260 2.222 20 5 EEBDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1C ZINC000185629704 463853570 /nfs/dbraw/zinc/85/35/70/463853570.db2.gz RKBLOIILAOYJPS-UHFFFAOYSA-N -1 1 347.356 2.284 20 5 EEBDMM Cc1cnc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])s1 ZINC000173636531 464297161 /nfs/dbraw/zinc/29/71/61/464297161.db2.gz STYPUCQXLHONBW-UHFFFAOYSA-N -1 1 341.414 2.455 20 5 EEBDMM O=C(N[C@@H]1CCCOc2c(F)cccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000351839099 465391253 /nfs/dbraw/zinc/39/12/53/465391253.db2.gz APYQQJSHHRBYGZ-CYBMUJFWSA-N -1 1 347.302 2.478 20 5 EEBDMM CNc1c(C(=O)Nc2cc(C(=O)OC)ccc2[O-])cccc1[N+](=O)[O-] ZINC000337576970 465445676 /nfs/dbraw/zinc/44/56/76/465445676.db2.gz JPYVKDQVYJTTLQ-UHFFFAOYSA-N -1 1 345.311 2.381 20 5 EEBDMM C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000356724007 465506376 /nfs/dbraw/zinc/50/63/76/465506376.db2.gz FZECSVGYRRZOBZ-DLBZAZTESA-N -1 1 341.367 2.128 20 5 EEBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cnc(OCC(F)F)cn3)no2)[n-]1 ZINC000338000483 465740984 /nfs/dbraw/zinc/74/09/84/465740984.db2.gz RCTAKVCEFKDPAP-UHFFFAOYSA-N -1 1 338.230 2.074 20 5 EEBDMM Cc1cccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1[N+](=O)[O-] ZINC000332391541 466539416 /nfs/dbraw/zinc/53/94/16/466539416.db2.gz ZRNBOUFNMFGTBG-JTQLQIEISA-N -1 1 332.316 2.012 20 5 EEBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nc(SC)ns1 ZINC000427915938 467186142 /nfs/dbraw/zinc/18/61/42/467186142.db2.gz VMIXWXJWQVUHPQ-UHFFFAOYSA-N -1 1 326.359 2.429 20 5 EEBDMM O=C(NC[C@H]1CCO[C@H]1c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000489850282 468171393 /nfs/dbraw/zinc/17/13/93/468171393.db2.gz NDHUOOSMAVLDSD-DOMZBBRYSA-N -1 1 343.339 2.203 20 5 EEBDMM CC[C@]1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOC1 ZINC000616460679 469452707 /nfs/dbraw/zinc/45/27/07/469452707.db2.gz FJUIAMWWRLWEMY-LBPRGKRZSA-N -1 1 334.781 2.096 20 5 EEBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000773316158 577332672 /nfs/dbraw/zinc/33/26/72/577332672.db2.gz SUGQIULYTNGORU-JECSTDCCSA-N -1 1 344.327 2.103 20 5 EEBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000773495734 577346557 /nfs/dbraw/zinc/34/65/57/577346557.db2.gz HIPPJHFSOBXMOY-ZZXKWVIFSA-N -1 1 344.327 2.103 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc(C)s2)c([N+](=O)[O-])n1 ZINC000754794372 577813390 /nfs/dbraw/zinc/81/33/90/577813390.db2.gz VBGQYPMDZUWHNP-SECBINFHSA-N -1 1 344.418 2.221 20 5 EEBDMM CCCn1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000757723353 577863222 /nfs/dbraw/zinc/86/32/22/577863222.db2.gz VTFILANCWWKXAH-UHFFFAOYSA-N -1 1 341.364 2.424 20 5 EEBDMM CCC(CC)[C@@H](CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])OC ZINC000825097097 607564553 /nfs/dbraw/zinc/56/45/53/607564553.db2.gz TULXNGFRDUAJIE-GFCCVEGCSA-N -1 1 349.395 2.423 20 5 EEBDMM CCC(CC)[C@@H](CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])OC ZINC000825097097 607564554 /nfs/dbraw/zinc/56/45/54/607564554.db2.gz TULXNGFRDUAJIE-GFCCVEGCSA-N -1 1 349.395 2.423 20 5 EEBDMM CC(C)c1ccc(CN2CCC([C@H](O)C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000833510097 604760851 /nfs/dbraw/zinc/76/08/51/604760851.db2.gz KHDLPQPWIPTDOA-INIZCTEOSA-N -1 1 336.388 2.376 20 5 EEBDMM O=[N+]([O-])c1cc(NC[C@@H](O)c2ccccc2F)ccc1-c1nn[n-]n1 ZINC000823634487 606645085 /nfs/dbraw/zinc/64/50/85/606645085.db2.gz HRRYOBDLCRGTTD-CQSZACIVSA-N -1 1 344.306 2.060 20 5 EEBDMM Cc1ccc(-c2nn[n-]n2)nc1NCCNc1ccccc1[N+](=O)[O-] ZINC000826280565 608542951 /nfs/dbraw/zinc/54/29/51/608542951.db2.gz HDMAOTLNGVEDJY-UHFFFAOYSA-N -1 1 340.347 2.002 20 5 EEBDMM CC(C)c1ncc(S(=O)(=O)Oc2cc(F)cc([N+](=O)[O-])c2)[n-]1 ZINC000135594161 679551623 /nfs/dbraw/zinc/55/16/23/679551623.db2.gz YGNIMAUBXMWQIU-UHFFFAOYSA-N -1 1 329.309 2.348 20 5 EEBDMM CC(C)c1nc(S(=O)(=O)Oc2cc(F)cc([N+](=O)[O-])c2)c[n-]1 ZINC000135594161 679551629 /nfs/dbraw/zinc/55/16/29/679551629.db2.gz YGNIMAUBXMWQIU-UHFFFAOYSA-N -1 1 329.309 2.348 20 5 EEBDMM CC(C)c1ncc(S(=O)(=O)Oc2cc(F)ccc2[N+](=O)[O-])[n-]1 ZINC000122658056 683722762 /nfs/dbraw/zinc/72/27/62/683722762.db2.gz UPLWRFOQKSQLTF-UHFFFAOYSA-N -1 1 329.309 2.348 20 5 EEBDMM CC(C)c1nc(S(=O)(=O)Oc2cc(F)ccc2[N+](=O)[O-])c[n-]1 ZINC000122658056 683722763 /nfs/dbraw/zinc/72/27/63/683722763.db2.gz UPLWRFOQKSQLTF-UHFFFAOYSA-N -1 1 329.309 2.348 20 5 EEBDMM CC(C)n1ccnc1SCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000914530453 683883009 /nfs/dbraw/zinc/88/30/09/683883009.db2.gz BKCOGMDGBQZPHJ-UHFFFAOYSA-N -1 1 348.384 2.421 20 5 EEBDMM CN(CCCNC(=O)c1ncccc1[O-])c1cccc(F)c1[N+](=O)[O-] ZINC001095526942 1205857657 /nfs/dbraw/zinc/85/76/57/1205857657.db2.gz PNTPVCONWHUZFW-UHFFFAOYSA-N -1 1 348.334 2.091 20 5 EEBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000780068161 1236199165 /nfs/dbraw/zinc/19/91/65/1236199165.db2.gz KQWJGUIXJUQHTK-JTQLQIEISA-N -1 1 330.296 2.484 20 5 EEBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1CCCC[C@@H]1OC ZINC001226328453 1301360336 /nfs/dbraw/zinc/36/03/36/1301360336.db2.gz WFAZNQVIFWHRSP-QWRGUYRKSA-N -1 1 340.332 2.209 20 5 EEBDMM C[C@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784396478 1304476850 /nfs/dbraw/zinc/47/68/50/1304476850.db2.gz GWTUDFXEETZPAM-PELKAZGASA-N -1 1 334.781 2.094 20 5 EEBDMM CC(C)c1nc(C(N)=O)c(O[C@@H](C)c2cccc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC001234564269 1304971013 /nfs/dbraw/zinc/97/10/13/1304971013.db2.gz BHYGMPVMCKJPLH-VIFPVBQESA-N -1 1 346.343 2.453 20 5 EEBDMM COc1c(O)ccc2c1oc1cc([O-])cc(O[C@H](C)CON)c1c2=O ZINC001234750661 1305019553 /nfs/dbraw/zinc/01/95/53/1305019553.db2.gz FNUNTWJXKJKFQS-MRVPVSSYSA-N -1 1 347.323 2.024 20 5 EEBDMM Nc1ncc(Br)nc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393643 1325263504 /nfs/dbraw/zinc/26/35/04/1325263504.db2.gz XEFYYEIFAHNBNB-UHFFFAOYSA-N -1 1 326.110 2.179 20 5 EEBDMM C[C@H](Cc1ccccn1)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603584919 1350725296 /nfs/dbraw/zinc/72/52/96/1350725296.db2.gz ZAFKVOQNUVSCTH-MRVPVSSYSA-N -1 1 331.361 2.275 20 5 EEBDMM C[C@H](Cc1ccccn1)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603584919 1350725297 /nfs/dbraw/zinc/72/52/97/1350725297.db2.gz ZAFKVOQNUVSCTH-MRVPVSSYSA-N -1 1 331.361 2.275 20 5 EEBDMM O=C([O-])COc1ccc(CNCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001608759244 1351756879 /nfs/dbraw/zinc/75/68/79/1351756879.db2.gz CWCXJXKWAJCHFM-UHFFFAOYSA-N -1 1 334.303 2.487 20 5 EEBDMM COc1cccc(C(=O)OCC(=O)c2ccc([O-])cc2O)c1[N+](=O)[O-] ZINC001322028898 1333198923 /nfs/dbraw/zinc/19/89/23/1333198923.db2.gz KOMCSOGWLAMRHJ-UHFFFAOYSA-N -1 1 347.279 2.054 20 5 EEBDMM O=C([N-]c1ncccn1)c1sc(Br)cc1[N+](=O)[O-] ZINC001322141715 1333216090 /nfs/dbraw/zinc/21/60/90/1333216090.db2.gz SHUHTEBTOTXDTM-UHFFFAOYSA-N -1 1 329.135 2.461 20 5 EEBDMM CCc1cnc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)s1 ZINC001609253808 1351911096 /nfs/dbraw/zinc/91/10/96/1351911096.db2.gz PUMHENCULMMFBO-UHFFFAOYSA-N -1 1 331.361 2.406 20 5 EEBDMM C[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC001575416056 1343792155 /nfs/dbraw/zinc/79/21/55/1343792155.db2.gz FBLNQJWQIWEVDQ-PELKAZGASA-N -1 1 346.372 2.370 20 5 EEBDMM C[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC001575416056 1343792159 /nfs/dbraw/zinc/79/21/59/1343792159.db2.gz FBLNQJWQIWEVDQ-PELKAZGASA-N -1 1 346.372 2.370 20 5 EEBDMM O=[N+]([O-])c1cn(CCc2c(F)cccc2Cl)nc1-c1nn[n-]n1 ZINC001582804961 1344792900 /nfs/dbraw/zinc/79/29/00/1344792900.db2.gz SZTPUWVUSMTYCH-UHFFFAOYSA-N -1 1 337.702 2.007 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCC[C@H]1CCSC1 ZINC001593489231 1349817550 /nfs/dbraw/zinc/81/75/50/1349817550.db2.gz XACJBOOREFUVQB-ZETCQYMHSA-N -1 1 326.407 2.392 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCC[C@H]1CCSC1 ZINC001593489231 1349817552 /nfs/dbraw/zinc/81/75/52/1349817552.db2.gz XACJBOOREFUVQB-ZETCQYMHSA-N -1 1 326.407 2.392 20 5 EEBDMM O=C([O-])[C@H]1C[C@H](O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001601770677 1350360186 /nfs/dbraw/zinc/36/01/86/1350360186.db2.gz ASICVWWSHKSFAM-GXTWGEPZSA-N -1 1 348.380 2.343 20 5 EEBDMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001602202825 1350464371 /nfs/dbraw/zinc/46/43/71/1350464371.db2.gz IVUGFJCPNQLHTA-GXSJLCMTSA-N -1 1 335.143 2.233 20 5 EEBDMM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001602417689 1350514434 /nfs/dbraw/zinc/51/44/34/1350514434.db2.gz MQXJADAHMLBNFV-UHFFFAOYSA-N -1 1 328.280 2.202 20 5 EEBDMM CC(C)[C@H](Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cnn(C)c1 ZINC001603231334 1350666020 /nfs/dbraw/zinc/66/60/20/1350666020.db2.gz RLKPQXRIUZNVNY-ZDUSSCGKSA-N -1 1 342.363 2.318 20 5 EEBDMM CC(C)[C@H](Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cnn(C)c1 ZINC001603231334 1350666030 /nfs/dbraw/zinc/66/60/30/1350666030.db2.gz RLKPQXRIUZNVNY-ZDUSSCGKSA-N -1 1 342.363 2.318 20 5 EEBDMM O=[N+]([O-])c1cc2ccccc2nc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC001607080655 1351409059 /nfs/dbraw/zinc/40/90/59/1351409059.db2.gz YZYWEXMATNQTGT-UHFFFAOYSA-N -1 1 348.326 2.330 20 5 EEBDMM O=[N+]([O-])c1cc2ccccc2nc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC001607080655 1351409061 /nfs/dbraw/zinc/40/90/61/1351409061.db2.gz YZYWEXMATNQTGT-UHFFFAOYSA-N -1 1 348.326 2.330 20 5 EEBDMM O=C(OCc1cc(=O)[nH]c(C2CC2)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000837583964 1372792641 /nfs/dbraw/zinc/79/26/41/1372792641.db2.gz VFRJAICJPBVDDZ-UHFFFAOYSA-N -1 1 331.284 2.030 20 5 EEBDMM CCCC[C@H](COC)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001577491763 1403657364 /nfs/dbraw/zinc/65/73/64/1403657364.db2.gz WZZDIHZYKMHHSA-MRVPVSSYSA-N -1 1 326.382 2.454 20 5 EEBDMM CCCC[C@H](COC)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001577491763 1403657366 /nfs/dbraw/zinc/65/73/66/1403657366.db2.gz WZZDIHZYKMHHSA-MRVPVSSYSA-N -1 1 326.382 2.454 20 5 EEBDMM COc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1C ZINC001591640038 1403932954 /nfs/dbraw/zinc/93/29/54/1403932954.db2.gz RCNFNYKEGMKULI-UHFFFAOYSA-N -1 1 341.331 2.099 20 5 EEBDMM COc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1C ZINC001591640038 1403932963 /nfs/dbraw/zinc/93/29/63/1403932963.db2.gz RCNFNYKEGMKULI-UHFFFAOYSA-N -1 1 341.331 2.099 20 5 EEBDMM O=C(NC/C=C/CNc1ccc([N+](=O)[O-])cc1F)c1ncccc1[O-] ZINC001107139382 785987085 /nfs/dbraw/zinc/98/70/85/785987085.db2.gz LDGVQYURBMKZNY-OWOJBTEDSA-N -1 1 346.318 2.233 20 5 EEBDMM CN(CCOc1ccccc1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821604871 786820261 /nfs/dbraw/zinc/82/02/61/786820261.db2.gz LCORFHWTBJSULD-UHFFFAOYSA-N -1 1 340.343 2.290 20 5 EEBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCC1CC1 ZINC000088456217 792956963 /nfs/dbraw/zinc/95/69/63/792956963.db2.gz CBRJHQPCRVJBLG-UHFFFAOYSA-N -1 1 349.206 2.436 20 5 EEBDMM O=C([O-])[C@H]1c2ccccc2CC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001606055880 973163722 /nfs/dbraw/zinc/16/37/22/973163722.db2.gz CHJVLMYJEQONLN-MRXNPFEDSA-N -1 1 328.324 2.484 20 5 EEBDMM O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001606055880 973163730 /nfs/dbraw/zinc/16/37/30/973163730.db2.gz CHJVLMYJEQONLN-MRXNPFEDSA-N -1 1 328.324 2.484 20 5 EEBDMM Cc1ccc(OCCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000187058490 236105605 /nfs/dbraw/zinc/10/56/05/236105605.db2.gz SODKXULCMPYVCE-UHFFFAOYSA-N -1 1 331.328 2.203 20 5 EEBDMM Cc1ccccc1OCCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193554709 237398096 /nfs/dbraw/zinc/39/80/96/237398096.db2.gz AINXPQWPGYWWKN-UHFFFAOYSA-N -1 1 331.328 2.203 20 5 EEBDMM COc1ccc(C(C)(C)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193489588 240184516 /nfs/dbraw/zinc/18/45/16/240184516.db2.gz BKPWVPOBBJAPLJ-UHFFFAOYSA-N -1 1 345.355 2.412 20 5 EEBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000080789986 217333906 /nfs/dbraw/zinc/33/39/06/217333906.db2.gz AOUKRXKOXGGNCW-GFCCVEGCSA-N -1 1 340.357 2.162 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCOCC1 ZINC000183385176 304805697 /nfs/dbraw/zinc/80/56/97/304805697.db2.gz IZFJPXROVKKSCH-VIFPVBQESA-N -1 1 334.781 2.096 20 5 EEBDMM CS(=O)(=O)c1c(Cl)cccc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000173804037 152197848 /nfs/dbraw/zinc/19/78/48/152197848.db2.gz ACWDTIYHJPPELQ-UHFFFAOYSA-N -1 1 344.732 2.497 20 5 EEBDMM O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc2ccccc2cc1[O-] ZINC000129927193 292365201 /nfs/dbraw/zinc/36/52/01/292365201.db2.gz USNIDUDPAXTLPE-UHFFFAOYSA-N -1 1 326.312 2.080 20 5 EEBDMM Cc1ccccc1[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000364276636 165078701 /nfs/dbraw/zinc/07/87/01/165078701.db2.gz BZSZRVASUOKENR-HNNXBMFYSA-N -1 1 343.339 2.218 20 5 EEBDMM O=C(c1ccc([O-])cc1F)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000154904370 292531311 /nfs/dbraw/zinc/53/13/11/292531311.db2.gz NRIGNRBRDHAZMD-SNVBAGLBSA-N -1 1 346.318 2.161 20 5 EEBDMM COCCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289093609 275099013 /nfs/dbraw/zinc/09/90/13/275099013.db2.gz ILQQBFZNNNCOQZ-UHFFFAOYSA-N -1 1 343.188 2.216 20 5 EEBDMM O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000298880204 294608665 /nfs/dbraw/zinc/60/86/65/294608665.db2.gz RROUXYYYVMJANB-UHFFFAOYSA-N -1 1 328.328 2.411 20 5 EEBDMM CC[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Oc1cccc(F)c1 ZINC000439905955 315102436 /nfs/dbraw/zinc/10/24/36/315102436.db2.gz WMEZUNOMKNJBRV-GFCCVEGCSA-N -1 1 349.318 2.422 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1 ZINC000525086448 317038437 /nfs/dbraw/zinc/03/84/37/317038437.db2.gz QFEANGBJAIMPPV-UHFFFAOYSA-N -1 1 327.749 2.122 20 5 EEBDMM Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525186251 317043615 /nfs/dbraw/zinc/04/36/15/317043615.db2.gz RIOALOKQCVHNOW-CYBMUJFWSA-N -1 1 333.369 2.264 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCCC2(C)C)c([N+](=O)[O-])n1 ZINC000339041858 465046222 /nfs/dbraw/zinc/04/62/22/465046222.db2.gz POADSQOTJIIZOX-LLVKDONJSA-N -1 1 330.410 2.058 20 5 EEBDMM COCCCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000120022561 462953828 /nfs/dbraw/zinc/95/38/28/462953828.db2.gz BZUDASWOUNNDNO-UHFFFAOYSA-N -1 1 336.797 2.343 20 5 EEBDMM C[C@@H]1CN(CCCNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000553812331 468380048 /nfs/dbraw/zinc/38/00/48/468380048.db2.gz UJGBVVZJGBQKRC-VXGBXAGGSA-N -1 1 337.376 2.204 20 5 EEBDMM O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000176153933 464709030 /nfs/dbraw/zinc/70/90/30/464709030.db2.gz GKJYUVLBPRFGHD-UHFFFAOYSA-N -1 1 344.302 2.288 20 5 EEBDMM NC(=O)c1ccnc([N-]c2cnn(-c3ccccc3F)c2)c1[N+](=O)[O-] ZINC000357534329 466110244 /nfs/dbraw/zinc/11/02/44/466110244.db2.gz MKTVLJQPVUHKMB-UHFFFAOYSA-N -1 1 342.290 2.157 20 5 EEBDMM O=C1CC[C@H]2CN(Cc3cc([O-])ccc3[N+](=O)[O-])CC[C@@H]2N1C1CC1 ZINC000569509498 468503427 /nfs/dbraw/zinc/50/34/27/468503427.db2.gz XJUGWFYRGMOLMY-LRDDRELGSA-N -1 1 345.399 2.276 20 5 EEBDMM COC(=O)c1cc(NC(=O)c2ccc(O)cc2[O-])cc([N+](=O)[O-])c1 ZINC000436628500 467547923 /nfs/dbraw/zinc/54/79/23/467547923.db2.gz ZGVFPHOTJOJIAH-UHFFFAOYSA-N -1 1 332.268 2.045 20 5 EEBDMM CN(C)c1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cc2[nH]1 ZINC000436795443 467554749 /nfs/dbraw/zinc/55/47/49/467554749.db2.gz RBQUCYHKWDODRT-UHFFFAOYSA-N -1 1 341.327 2.495 20 5 EEBDMM O=C([O-])C[C@@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000567742687 468200142 /nfs/dbraw/zinc/20/01/42/468200142.db2.gz QHUTZQHRYNMIHT-NSHDSACASA-N -1 1 332.316 2.084 20 5 EEBDMM O=C([O-])C[C@@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000567742687 468200144 /nfs/dbraw/zinc/20/01/44/468200144.db2.gz QHUTZQHRYNMIHT-NSHDSACASA-N -1 1 332.316 2.084 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000597605262 468614331 /nfs/dbraw/zinc/61/43/31/468614331.db2.gz UKJHVIIWEBSNJO-GUTXKFCHSA-N -1 1 349.387 2.241 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC2(CCSCC2)CC1 ZINC000601737854 468996429 /nfs/dbraw/zinc/99/64/29/468996429.db2.gz FFKFFZRPJJLHTG-UHFFFAOYSA-N -1 1 337.401 2.445 20 5 EEBDMM COc1ccc(Cn2nccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000609129801 469893178 /nfs/dbraw/zinc/89/31/78/469893178.db2.gz ZNCGJGNZQYORRU-UHFFFAOYSA-N -1 1 341.327 2.429 20 5 EEBDMM CCS[C@@H]1CCC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000185798175 529213239 /nfs/dbraw/zinc/21/32/39/529213239.db2.gz VFIHPRHBBLCYNE-GHMZBOCLSA-N -1 1 325.390 2.490 20 5 EEBDMM C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769048824 577568059 /nfs/dbraw/zinc/56/80/59/577568059.db2.gz RXBSMGUKMBIBNG-QWRGUYRKSA-N -1 1 336.344 2.247 20 5 EEBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC000744455688 577898145 /nfs/dbraw/zinc/89/81/45/577898145.db2.gz MBLJPBLYBSXZEF-UHFFFAOYSA-N -1 1 344.323 2.485 20 5 EEBDMM CCCCC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000829340419 601404709 /nfs/dbraw/zinc/40/47/09/601404709.db2.gz OXLPNCQADJHBRP-SNVBAGLBSA-N -1 1 348.352 2.046 20 5 EEBDMM C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C(=O)[O-] ZINC000833629494 604671372 /nfs/dbraw/zinc/67/13/72/604671372.db2.gz JSHQEPBIUOZSOG-KWQFWETISA-N -1 1 330.287 2.349 20 5 EEBDMM COC[C@](C)(CC(=O)[O-])NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 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FQGVWIYOXGGOBQ-UHFFFAOYSA-N -1 1 341.331 2.147 20 5 EEBDMM O=[N+]([O-])c1cc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1-c1nn[n-]n1 ZINC001593473414 1349807920 /nfs/dbraw/zinc/80/79/20/1349807920.db2.gz BEPMLGAGLXHZIR-MRVWCRGKSA-N -1 1 342.359 2.144 20 5 EEBDMM O=[N+]([O-])c1ccc(N[C@H](C2CC2)[C@H]2CCCOC2)cc1-c1nnn[n-]1 ZINC001593478779 1349811636 /nfs/dbraw/zinc/81/16/36/1349811636.db2.gz MFKHDYHVRAQDOI-XHDPSFHLSA-N -1 1 344.375 2.392 20 5 EEBDMM O=[N+]([O-])c1ccc(N[C@H](C2CC2)[C@H]2CCCOC2)cc1-c1nn[n-]n1 ZINC001593478779 1349811640 /nfs/dbraw/zinc/81/16/40/1349811640.db2.gz MFKHDYHVRAQDOI-XHDPSFHLSA-N -1 1 344.375 2.392 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@H]1CCO[C@@H](C2CC2)C1 ZINC001593488712 1349816206 /nfs/dbraw/zinc/81/62/06/1349816206.db2.gz KOCURJODHMNNBM-WCBMZHEXSA-N -1 1 336.377 2.206 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@H]1CCO[C@@H](C2CC2)C1 ZINC001593488712 1349816211 /nfs/dbraw/zinc/81/62/11/1349816211.db2.gz KOCURJODHMNNBM-WCBMZHEXSA-N -1 1 336.377 2.206 20 5 EEBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1sccc1C(=O)[O-] ZINC001600306279 1350016022 /nfs/dbraw/zinc/01/60/22/1350016022.db2.gz GMXYUCTVEOVZMT-UHFFFAOYSA-N -1 1 342.354 2.464 20 5 EEBDMM O=C([O-])[C@H]1CCCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC001602212367 1350467191 /nfs/dbraw/zinc/46/71/91/1350467191.db2.gz KAZNSJNKNLASFS-LBPRGKRZSA-N -1 1 330.344 2.212 20 5 EEBDMM C[C@H](C[C@H](O)c1ccco1)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603462820 1350709495 /nfs/dbraw/zinc/70/94/95/1350709495.db2.gz AXRHHCUZTOZOKZ-RNCFNFMXSA-N -1 1 344.331 2.292 20 5 EEBDMM CCOc1ccc([N+](=O)[O-])cc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC001604461871 1350942822 /nfs/dbraw/zinc/94/28/22/1350942822.db2.gz HCFFGDBZAGNAJX-UHFFFAOYSA-N -1 1 341.331 2.181 20 5 EEBDMM CCOc1ccc([N+](=O)[O-])cc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC001604461871 1350942823 /nfs/dbraw/zinc/94/28/23/1350942823.db2.gz HCFFGDBZAGNAJX-UHFFFAOYSA-N -1 1 341.331 2.181 20 5 EEBDMM CO[C@H]1CCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001605030686 1351061414 /nfs/dbraw/zinc/06/14/14/1351061414.db2.gz OHXGJNHIGBLNTF-MFKMUULPSA-N -1 1 332.364 2.310 20 5 EEBDMM CO[C@H]1CCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001605030686 1351061419 /nfs/dbraw/zinc/06/14/19/1351061419.db2.gz OHXGJNHIGBLNTF-MFKMUULPSA-N -1 1 332.364 2.310 20 5 EEBDMM COC[C@@H]1CCCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001605073218 1351072020 /nfs/dbraw/zinc/07/20/20/1351072020.db2.gz WAIWYMGTOAYERY-SECBINFHSA-N -1 1 338.393 2.089 20 5 EEBDMM COC[C@@H]1CCCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001605073218 1351072024 /nfs/dbraw/zinc/07/20/24/1351072024.db2.gz WAIWYMGTOAYERY-SECBINFHSA-N -1 1 338.393 2.089 20 5 EEBDMM CCCn1cc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cn1 ZINC001605390363 1351151798 /nfs/dbraw/zinc/15/17/98/1351151798.db2.gz WQXKUNXRLDAGIQ-MRXNPFEDSA-N -1 1 332.360 2.291 20 5 EEBDMM O=[N+]([O-])c1c(N[C@@H](C2CCC2)[C@@H]2CCOC2)cccc1-c1nnn[n-]1 ZINC001607077855 1351407903 /nfs/dbraw/zinc/40/79/03/1351407903.db2.gz GLRSBPIJUQPZCF-RISCZKNCSA-N -1 1 344.375 2.392 20 5 EEBDMM O=[N+]([O-])c1c(N[C@@H](C2CCC2)[C@@H]2CCOC2)cccc1-c1nn[n-]n1 ZINC001607077855 1351407905 /nfs/dbraw/zinc/40/79/05/1351407905.db2.gz GLRSBPIJUQPZCF-RISCZKNCSA-N -1 1 344.375 2.392 20 5 EEBDMM CC[C@@H]1CO[C@@H](CC)CN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590523235 1403883265 /nfs/dbraw/zinc/88/32/65/1403883265.db2.gz VVQZNROGKWFMIN-PWSUYJOCSA-N -1 1 332.364 2.169 20 5 EEBDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1cc(F)ccc1[N+](=O)[O-] ZINC001606170597 1404772952 /nfs/dbraw/zinc/77/29/52/1404772952.db2.gz JIGGJQLMXROCCE-UHFFFAOYSA-N -1 1 347.262 2.172 20 5 EEBDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1cc(F)ccc1[N+](=O)[O-] ZINC001606170597 1404772957 /nfs/dbraw/zinc/77/29/57/1404772957.db2.gz JIGGJQLMXROCCE-UHFFFAOYSA-N -1 1 347.262 2.172 20 5 EEBDMM O=C(CCOc1ccccc1[N+](=O)[O-])Nc1n[n-]c(C(F)(F)F)n1 ZINC000195182307 1406128002 /nfs/dbraw/zinc/12/80/02/1406128002.db2.gz BBQYMCSJMCSLPD-UHFFFAOYSA-N -1 1 345.237 2.139 20 5 EEBDMM O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000918568193 769218918 /nfs/dbraw/zinc/21/89/18/769218918.db2.gz MTWDKOBJUFKJDI-UHFFFAOYSA-N -1 1 342.311 2.219 20 5 EEBDMM C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589115577 956095778 /nfs/dbraw/zinc/09/57/78/956095778.db2.gz XTGSBWZHPLEVPD-OXHMUOHRSA-N -1 1 336.344 2.166 20 5 EEBDMM C[C@](Cn1cccn1)(NCc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001592924173 979930169 /nfs/dbraw/zinc/93/01/69/979930169.db2.gz VBRGIJHZRSXVMT-CQSZACIVSA-N -1 1 338.751 2.078 20 5 EEBDMM CN(CC1(c2ccccc2)CC1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000190079397 529858899 /nfs/dbraw/zinc/85/88/99/529858899.db2.gz UAOPMDFMVFEYFM-UHFFFAOYSA-N -1 1 327.340 2.499 20 5 EEBDMM O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000267934733 256097709 /nfs/dbraw/zinc/09/77/09/256097709.db2.gz XBCMPSCQXRVQTG-UHFFFAOYSA-N -1 1 330.344 2.007 20 5 EEBDMM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000271279993 256228813 /nfs/dbraw/zinc/22/88/13/256228813.db2.gz PZYLPWXHTXZAGD-NXEZZACHSA-N -1 1 348.808 2.342 20 5 EEBDMM O=C(NCCOc1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186787672 160083126 /nfs/dbraw/zinc/08/31/26/160083126.db2.gz MPZPGDOYOJIJNF-UHFFFAOYSA-N -1 1 337.719 2.158 20 5 EEBDMM O=C([O-])[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000238015280 160227465 /nfs/dbraw/zinc/22/74/65/160227465.db2.gz WBGITOXSXVILQT-ZDUSSCGKSA-N -1 1 340.295 2.027 20 5 EEBDMM O=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343251899 161116931 /nfs/dbraw/zinc/11/69/31/161116931.db2.gz MQMLGOYCXYCHFJ-UHFFFAOYSA-N -1 1 328.328 2.298 20 5 EEBDMM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])s1 ZINC000360781523 164379121 /nfs/dbraw/zinc/37/91/21/164379121.db2.gz AHWWMDJEHBQPAF-UHFFFAOYSA-N -1 1 341.414 2.401 20 5 EEBDMM CCc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)o1 ZINC000274762761 269050547 /nfs/dbraw/zinc/05/05/47/269050547.db2.gz YVRWHBIPOLVVIN-UHFFFAOYSA-N -1 1 339.373 2.241 20 5 EEBDMM O=C(N[C@H]1CCOC2(CCCCC2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275088084 269093518 /nfs/dbraw/zinc/09/35/18/269093518.db2.gz GCZIDLCULNUAPY-LBPRGKRZSA-N -1 1 335.360 2.307 20 5 EEBDMM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])OC ZINC000294135669 293379308 /nfs/dbraw/zinc/37/93/08/293379308.db2.gz FWZXRKMZZTWENA-GXSJLCMTSA-N -1 1 334.369 2.073 20 5 EEBDMM COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000439725110 315093319 /nfs/dbraw/zinc/09/33/19/315093319.db2.gz WNPAIKXGQNEQGQ-YOEHRIQHSA-N -1 1 343.339 2.164 20 5 EEBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000080801344 463358348 /nfs/dbraw/zinc/35/83/48/463358348.db2.gz VBVNCVQKORNUTA-NEPJUHHUSA-N -1 1 335.385 2.460 20 5 EEBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c1C ZINC000163939337 463610022 /nfs/dbraw/zinc/61/00/22/463610022.db2.gz RXFRKHOGVYRGJN-UHFFFAOYSA-N -1 1 347.356 2.284 20 5 EEBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3nn[nH]c3c2)c1C ZINC000163939337 463610027 /nfs/dbraw/zinc/61/00/27/463610027.db2.gz RXFRKHOGVYRGJN-UHFFFAOYSA-N -1 1 347.356 2.284 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CC[C@H](CO)CC1 ZINC000152217354 463663307 /nfs/dbraw/zinc/66/33/07/463663307.db2.gz GBSNTMHAIZTHNX-AOOOYVTPSA-N -1 1 348.808 2.078 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1CCSCC1 ZINC000171099777 463785853 /nfs/dbraw/zinc/78/58/53/463785853.db2.gz IFJHVJXUVCAJRT-UHFFFAOYSA-N -1 1 336.822 2.422 20 5 EEBDMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cccc1[N+](=O)[O-] ZINC000194819022 463934556 /nfs/dbraw/zinc/93/45/56/463934556.db2.gz KXVQMLZTGMWXPJ-UHFFFAOYSA-N -1 1 347.352 2.199 20 5 EEBDMM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000362092705 466550617 /nfs/dbraw/zinc/55/06/17/466550617.db2.gz GNCXWUDYYRSOJP-LURJTMIESA-N -1 1 330.259 2.353 20 5 EEBDMM COc1cc(CN(C)[C@@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000516300910 468023467 /nfs/dbraw/zinc/02/34/67/468023467.db2.gz KDPSXZKCLRQWEC-QMMMGPOBSA-N -1 1 348.302 2.152 20 5 EEBDMM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000531142516 468031582 /nfs/dbraw/zinc/03/15/82/468031582.db2.gz RTDXBBPDHOJWKD-MNOVXSKESA-N -1 1 345.446 2.332 20 5 EEBDMM O=C(NC[C@H]1CCN1Cc1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000598508696 468893004 /nfs/dbraw/zinc/89/30/04/468893004.db2.gz HKPSURBCOBLORS-OAHLLOKOSA-N -1 1 341.367 2.305 20 5 EEBDMM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618391257 469982727 /nfs/dbraw/zinc/98/27/27/469982727.db2.gz JOVNRVUHZFNXOZ-APPZFPTMSA-N -1 1 333.266 2.498 20 5 EEBDMM CCC(CC)[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000183611606 528840862 /nfs/dbraw/zinc/84/08/62/528840862.db2.gz FPFBDJCHFBNUSG-RISCZKNCSA-N -1 1 337.376 2.409 20 5 EEBDMM CCC(CC)[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000183611658 528869107 /nfs/dbraw/zinc/86/91/07/528869107.db2.gz FPFBDJCHFBNUSG-SMDDNHRTSA-N -1 1 337.376 2.409 20 5 EEBDMM CCOC(=O)c1c[n-]c(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000752978417 577779452 /nfs/dbraw/zinc/77/94/52/577779452.db2.gz YDZWMSXGZOZTSS-VMPITWQZSA-N -1 1 330.300 2.147 20 5 EEBDMM O=[N+]([O-])c1ccc(NCc2ccc3c(c2)OCO3)cc1-c1nnn[n-]1 ZINC000826498817 607449109 /nfs/dbraw/zinc/44/91/09/607449109.db2.gz KVOPZASVGMQDSU-UHFFFAOYSA-N -1 1 340.299 2.116 20 5 EEBDMM O=[N+]([O-])c1ccc(NCc2ccc3c(c2)OCO3)cc1-c1nn[n-]n1 ZINC000826498817 607449110 /nfs/dbraw/zinc/44/91/10/607449110.db2.gz KVOPZASVGMQDSU-UHFFFAOYSA-N -1 1 340.299 2.116 20 5 EEBDMM O=C([O-])c1cc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc([N+](=O)[O-])c1 ZINC000833298517 602147165 /nfs/dbraw/zinc/14/71/65/602147165.db2.gz XZKLRECDIOIWHV-UHFFFAOYSA-N -1 1 344.205 2.287 20 5 EEBDMM O=[N+]([O-])c1cnc(Sc2nnc(C3CC3)s2)c(-c2nn[n-]n2)c1 ZINC000823652302 606045945 /nfs/dbraw/zinc/04/59/45/606045945.db2.gz ZFGYDHRACYUTCL-UHFFFAOYSA-N -1 1 348.373 2.050 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@H](c2ccccc2)C1 ZINC000823621180 606706332 /nfs/dbraw/zinc/70/63/32/606706332.db2.gz YFUATKIYZIGGED-LBPRGKRZSA-N -1 1 337.343 2.164 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@H](c2ccccc2)C1 ZINC000823621180 606706335 /nfs/dbraw/zinc/70/63/35/606706335.db2.gz YFUATKIYZIGGED-LBPRGKRZSA-N -1 1 337.343 2.164 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC2(CC2)c2ccccc21 ZINC000823614004 606712281 /nfs/dbraw/zinc/71/22/81/606712281.db2.gz NZKCODKSQVLCKO-UHFFFAOYSA-N -1 1 335.327 2.353 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC2(CC2)c2ccccc21 ZINC000823614004 606712283 /nfs/dbraw/zinc/71/22/83/606712283.db2.gz NZKCODKSQVLCKO-UHFFFAOYSA-N -1 1 335.327 2.353 20 5 EEBDMM Cc1cc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000822211632 607162534 /nfs/dbraw/zinc/16/25/34/607162534.db2.gz IHSRORPDKDTDNO-UHFFFAOYSA-N -1 1 343.259 2.179 20 5 EEBDMM Cc1cc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000822211632 607162536 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1 338.385 2.200 20 5 EEBDMM C[C@H](NCc1nc(-c2nnn[n-]2)cs1)c1cccc([N+](=O)[O-])c1 ZINC001609125400 1351852655 /nfs/dbraw/zinc/85/26/55/1351852655.db2.gz XPNSZYCTSPEILW-QMMMGPOBSA-N -1 1 331.361 2.082 20 5 EEBDMM C[C@H](NCc1nc(-c2nn[n-]n2)cs1)c1cccc([N+](=O)[O-])c1 ZINC001609125400 1351852658 /nfs/dbraw/zinc/85/26/58/1351852658.db2.gz XPNSZYCTSPEILW-QMMMGPOBSA-N -1 1 331.361 2.082 20 5 EEBDMM Cc1ccc(N(C)CCc2ccccc2[N+](=O)[O-])nc1-c1nnn[n-]1 ZINC001609425043 1351971187 /nfs/dbraw/zinc/97/11/87/1351971187.db2.gz WCGRAVGIPJHGDJ-UHFFFAOYSA-N -1 1 339.359 2.157 20 5 EEBDMM Cc1ccc(N(C)CCc2ccccc2[N+](=O)[O-])nc1-c1nn[n-]n1 ZINC001609425043 1351971188 /nfs/dbraw/zinc/97/11/88/1351971188.db2.gz WCGRAVGIPJHGDJ-UHFFFAOYSA-N -1 1 339.359 2.157 20 5 EEBDMM Cc1csc([C@H](C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC001609442199 1351979440 /nfs/dbraw/zinc/97/94/40/1351979440.db2.gz WFXAPAPHLVCYSW-SSDOTTSWSA-N -1 1 346.376 2.150 20 5 EEBDMM Cc1csc([C@H](C)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC001609442199 1351979441 /nfs/dbraw/zinc/97/94/41/1351979441.db2.gz WFXAPAPHLVCYSW-SSDOTTSWSA-N -1 1 346.376 2.150 20 5 EEBDMM C[C@H](C(=O)c1ccc(Cl)cc1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001589032206 1348953945 /nfs/dbraw/zinc/95/39/45/1348953945.db2.gz KFOPIQZNYFNWEQ-SSDOTTSWSA-N -1 1 347.722 2.069 20 5 EEBDMM CC(C)[C@@H](O)C(C)(C)CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589475257 1348993460 /nfs/dbraw/zinc/99/34/60/1348993460.db2.gz FJMXCRIIFCMUOQ-SNVBAGLBSA-N -1 1 340.409 2.291 20 5 EEBDMM CC(C)[C@@H](O)C(C)(C)CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589475257 1348993462 /nfs/dbraw/zinc/99/34/62/1348993462.db2.gz FJMXCRIIFCMUOQ-SNVBAGLBSA-N -1 1 340.409 2.291 20 5 EEBDMM CC(C)n1ccc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])n1 ZINC001589782222 1349040352 /nfs/dbraw/zinc/04/03/52/1349040352.db2.gz KLTIDURRPDLJPV-UHFFFAOYSA-N -1 1 334.365 2.226 20 5 EEBDMM CC(C)n1ccc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])n1 ZINC001589782222 1349040357 /nfs/dbraw/zinc/04/03/57/1349040357.db2.gz 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O=C([O-])[C@@H]1Cc2ccc(O)cc2CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001601864634 1350384890 /nfs/dbraw/zinc/38/48/90/1350384890.db2.gz SNMHMPNPYSWQBQ-INIZCTEOSA-N -1 1 344.323 2.018 20 5 EEBDMM O=C([O-])[C@H]1Cc2ccc(O)cc2CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001601864635 1350384987 /nfs/dbraw/zinc/38/49/87/1350384987.db2.gz SNMHMPNPYSWQBQ-MRXNPFEDSA-N -1 1 344.323 2.018 20 5 EEBDMM CC[C@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@H](CC)O1 ZINC001604112375 1350862799 /nfs/dbraw/zinc/86/27/99/1350862799.db2.gz TZFVSERXWSDEPD-IUCAKERBSA-N -1 1 338.393 2.230 20 5 EEBDMM CC[C@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@H](CC)O1 ZINC001604112375 1350862802 /nfs/dbraw/zinc/86/28/02/1350862802.db2.gz TZFVSERXWSDEPD-IUCAKERBSA-N -1 1 338.393 2.230 20 5 EEBDMM C[C@](Cn1cccn1)(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001604245079 1350901316 /nfs/dbraw/zinc/90/13/16/1350901316.db2.gz SYYXSYADFDXRSE-CQSZACIVSA-N -1 1 338.751 2.078 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2C[C@@H](C)O[C@@H]2C)cc1F 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ZINC000276862307 463785267 /nfs/dbraw/zinc/78/52/67/463785267.db2.gz GDOQASHNWMEBQY-RKDXNWHRSA-N -1 1 333.348 2.423 20 5 EEBDMM O=C([N-]N1CCCCC1=O)c1cccc([N+](=O)[O-])c1Br ZINC000180556416 464336388 /nfs/dbraw/zinc/33/63/88/464336388.db2.gz HKSHSPSNKMTYHD-UHFFFAOYSA-N -1 1 342.149 2.015 20 5 EEBDMM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cnc2n(C)[n-]cc-2c1=O ZINC000181710503 464522971 /nfs/dbraw/zinc/52/29/71/464522971.db2.gz XZPPUUJDLPXYGB-UHFFFAOYSA-N -1 1 341.327 2.451 20 5 EEBDMM COC(=O)c1cccc(OCc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000356964707 465663208 /nfs/dbraw/zinc/66/32/08/465663208.db2.gz CEYZDAGCESGGRK-UHFFFAOYSA-N -1 1 344.283 2.339 20 5 EEBDMM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000531142522 468031380 /nfs/dbraw/zinc/03/13/80/468031380.db2.gz RTDXBBPDHOJWKD-WDEREUQCSA-N -1 1 345.446 2.332 20 5 EEBDMM C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000532881078 468147685 /nfs/dbraw/zinc/14/76/85/468147685.db2.gz HCOYOCLCFYKILQ-NEPJUHHUSA-N -1 1 335.360 2.109 20 5 EEBDMM CC(C)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1(CO)CCCC1 ZINC000569824421 468550181 /nfs/dbraw/zinc/55/01/81/468550181.db2.gz HZFRVKIITMVUIX-CYBMUJFWSA-N -1 1 337.376 2.003 20 5 EEBDMM Cc1c(NC(=O)[C@H](C)N2CCC(C)(C(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000592398502 468689691 /nfs/dbraw/zinc/68/96/91/468689691.db2.gz DKXQFANAWNXWBN-LBPRGKRZSA-N -1 1 349.387 2.417 20 5 EEBDMM C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](CC(=O)[O-])C1 ZINC000610896929 469107283 /nfs/dbraw/zinc/10/72/83/469107283.db2.gz DJLYBNPLHUOQAJ-VXGBXAGGSA-N -1 1 335.360 2.109 20 5 EEBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nn3cnnc3s2)c1 ZINC000612559395 469497093 /nfs/dbraw/zinc/49/70/93/469497093.db2.gz YYCKMKVUZAOBBD-UHFFFAOYSA-N -1 1 336.358 2.068 20 5 EEBDMM CC(C)[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccnc1 ZINC000193681302 535015677 /nfs/dbraw/zinc/01/56/77/535015677.db2.gz DDQZIQDPWTYACW-ZDUSSCGKSA-N -1 1 330.344 2.260 20 5 EEBDMM Cc1cc(S(=O)(=O)Nc2ccsc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000738477771 578016556 /nfs/dbraw/zinc/01/65/56/578016556.db2.gz FHLOXMZXVJPJKS-UHFFFAOYSA-N -1 1 342.354 2.464 20 5 EEBDMM CO[C@@H]1[C@H](C)[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1(C)C ZINC000775739361 577444364 /nfs/dbraw/zinc/44/43/64/577444364.db2.gz FUXOUYVVIPZAIQ-BZHVJNSISA-N -1 1 346.380 2.072 20 5 EEBDMM O=C(Nc1nc(-c2cccs2)n[nH]1)c1cccc([N+](=O)[O-])c1[O-] ZINC000768945984 577566273 /nfs/dbraw/zinc/56/62/73/577566273.db2.gz TXUPRNSULFYXAC-UHFFFAOYSA-N -1 1 331.313 2.399 20 5 EEBDMM CCOC(=O)c1c[n-]c(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000752978423 577779477 /nfs/dbraw/zinc/77/94/77/577779477.db2.gz YDZWMSXGZOZTSS-YVMONPNESA-N -1 1 330.300 2.147 20 5 EEBDMM CCC(CC)(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])SC ZINC000742338367 577871340 /nfs/dbraw/zinc/87/13/40/577871340.db2.gz RRQOKZSBESKHOM-UHFFFAOYSA-N -1 1 333.435 2.190 20 5 EEBDMM COc1cccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1 ZINC000826216450 607448495 /nfs/dbraw/zinc/44/84/95/607448495.db2.gz ZHJDHUMXRPMYCR-UHFFFAOYSA-N -1 1 326.316 2.396 20 5 EEBDMM COc1cccc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c1 ZINC000826216450 607448497 /nfs/dbraw/zinc/44/84/97/607448497.db2.gz ZHJDHUMXRPMYCR-UHFFFAOYSA-N -1 1 326.316 2.396 20 5 EEBDMM O=[N+]([O-])c1cc(NCCc2cccc(O)c2)ccc1-c1nn[n-]n1 ZINC000826498089 607452278 /nfs/dbraw/zinc/45/22/78/607452278.db2.gz HLISMMZDFQJDOF-UHFFFAOYSA-N -1 1 326.316 2.135 20 5 EEBDMM CC[C@](C)(CC(=O)[O-])NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000828671994 601557375 /nfs/dbraw/zinc/55/73/75/601557375.db2.gz JXQBFEYEPCNOEA-OAHLLOKOSA-N -1 1 334.332 2.378 20 5 EEBDMM O=[N+]([O-])c1cc(N2CCc3sccc3C2)ccc1-c1nn[n-]n1 ZINC000823635217 606645202 /nfs/dbraw/zinc/64/52/02/606645202.db2.gz UCUCDQBOSZXAAO-UHFFFAOYSA-N -1 1 328.357 2.399 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H]1c1ccco1 ZINC000823620077 606711025 /nfs/dbraw/zinc/71/10/25/606711025.db2.gz HQGJQHKAGUHTMJ-SNVBAGLBSA-N -1 1 327.304 2.104 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H]1c1ccco1 ZINC000823620077 606711027 /nfs/dbraw/zinc/71/10/27/606711027.db2.gz HQGJQHKAGUHTMJ-SNVBAGLBSA-N -1 1 327.304 2.104 20 5 EEBDMM CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000825147576 608429067 /nfs/dbraw/zinc/42/90/67/608429067.db2.gz JYXJSBDSOVPIIY-NSHDSACASA-N -1 1 326.320 2.128 20 5 EEBDMM CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000825147576 608429069 /nfs/dbraw/zinc/42/90/69/608429069.db2.gz JYXJSBDSOVPIIY-NSHDSACASA-N -1 1 326.320 2.128 20 5 EEBDMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1[N+](=O)[O-] ZINC000824514957 608433347 /nfs/dbraw/zinc/43/33/47/608433347.db2.gz QGXPHXWCXCECHY-QMMMGPOBSA-N -1 1 344.356 2.327 20 5 EEBDMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1[N+](=O)[O-] ZINC000824514957 608433349 /nfs/dbraw/zinc/43/33/49/608433349.db2.gz QGXPHXWCXCECHY-QMMMGPOBSA-N -1 1 344.356 2.327 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCS[C@@H]2C)cc1F ZINC000867454686 677961145 /nfs/dbraw/zinc/96/11/45/677961145.db2.gz JHHLWRVLKJQHNG-PSASIEDQSA-N -1 1 334.394 2.215 20 5 EEBDMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000176678408 678417029 /nfs/dbraw/zinc/41/70/29/678417029.db2.gz YZEQJLIMKVGYRX-UHFFFAOYSA-N -1 1 325.321 2.425 20 5 EEBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000245557231 1212448029 /nfs/dbraw/zinc/44/80/29/1212448029.db2.gz ATJGGFBIKGHXMY-DOFRTFSJSA-N -1 1 348.808 2.483 20 5 EEBDMM C[C@@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001225765982 1301152040 /nfs/dbraw/zinc/15/20/40/1301152040.db2.gz PHCRPYQEUFQVPV-ZCFIWIBFSA-N -1 1 337.313 2.248 20 5 EEBDMM O=[N+]([O-])C[C@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])C1CC1 ZINC001228858658 1302486026 /nfs/dbraw/zinc/48/60/26/1302486026.db2.gz FKYQXAXLRHDSCM-ZETCQYMHSA-N -1 1 337.210 2.148 20 5 EEBDMM CC1=C[C@@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])CC(=O)O1 ZINC001228862113 1302488376 /nfs/dbraw/zinc/48/83/76/1302488376.db2.gz KPPBWEHZSGXXIF-ZCFIWIBFSA-N -1 1 334.206 2.312 20 5 EEBDMM C[C@@H]1CSC(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)=N1 ZINC000840202673 1315326123 /nfs/dbraw/zinc/32/61/23/1315326123.db2.gz ILDJVMUHVPLCIK-MRVPVSSYSA-N -1 1 339.398 2.076 20 5 EEBDMM CNC(=O)c1ccc2nc(-c3cc([O-])cc([N+](=O)[O-])c3)n(C)c2c1 ZINC001251389624 1317454711 /nfs/dbraw/zinc/45/47/11/1317454711.db2.gz QNPWMGKTMNKDNM-UHFFFAOYSA-N -1 1 326.312 2.214 20 5 EEBDMM CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1(C)C ZINC001306856860 1331492138 /nfs/dbraw/zinc/49/21/38/1331492138.db2.gz PZAGPUOYNDSOAN-NWDGAFQWSA-N -1 1 337.376 2.407 20 5 EEBDMM CC[C@@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001309611560 1331636178 /nfs/dbraw/zinc/63/61/78/1331636178.db2.gz HKQQPESGDXLAKN-KOLCDFICSA-N -1 1 348.396 2.118 20 5 EEBDMM O=C([O-])C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC001608673699 1351739364 /nfs/dbraw/zinc/73/93/64/1351739364.db2.gz HPJJDWFVDQOCRK-ZDUSSCGKSA-N -1 1 346.343 2.234 20 5 EEBDMM COC(=O)c1sc2[n-]c(-c3cc([N+](=O)[O-])ccn3)nc(=O)c2c1C ZINC001325854099 1333976036 /nfs/dbraw/zinc/97/60/36/1333976036.db2.gz NRRIUCHJXAMHOY-UHFFFAOYSA-N -1 1 346.324 2.462 20 5 EEBDMM CC(C)(CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])OCC1CC1 ZINC001589287738 1348979483 /nfs/dbraw/zinc/97/94/83/1348979483.db2.gz FDKOUQCMLYSONM-UHFFFAOYSA-N -1 1 338.393 2.454 20 5 EEBDMM CC(C)(CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])OCC1CC1 ZINC001589287738 1348979485 /nfs/dbraw/zinc/97/94/85/1348979485.db2.gz FDKOUQCMLYSONM-UHFFFAOYSA-N -1 1 338.393 2.454 20 5 EEBDMM CC[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001590473205 1349346287 /nfs/dbraw/zinc/34/62/87/1349346287.db2.gz LXXNDJMJVAFIFY-CYBMUJFWSA-N -1 1 332.364 2.392 20 5 EEBDMM CC[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001590473205 1349346292 /nfs/dbraw/zinc/34/62/92/1349346292.db2.gz LXXNDJMJVAFIFY-CYBMUJFWSA-N -1 1 332.364 2.392 20 5 EEBDMM CCn1ccc(CN(C)c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1 ZINC001590959228 1349423438 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EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC[C@H](OC2CCC2)C1 ZINC001593467409 1349803074 /nfs/dbraw/zinc/80/30/74/1349803074.db2.gz XRQTYPIJMKLITL-LBPRGKRZSA-N -1 1 344.375 2.313 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC[C@H](OC2CCC2)C1 ZINC001593467409 1349803078 /nfs/dbraw/zinc/80/30/78/1349803078.db2.gz XRQTYPIJMKLITL-LBPRGKRZSA-N -1 1 344.375 2.313 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@H]1Cc2cccc(O)c2C1 ZINC001593489004 1349815712 /nfs/dbraw/zinc/81/57/12/1349815712.db2.gz RTZVEVVOWUIBNT-QMMMGPOBSA-N -1 1 344.356 2.121 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@H]1Cc2cccc(O)c2C1 ZINC001593489004 1349815715 /nfs/dbraw/zinc/81/57/15/1349815715.db2.gz RTZVEVVOWUIBNT-QMMMGPOBSA-N -1 1 344.356 2.121 20 5 EEBDMM O=C([O-])C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001601903466 1350393913 /nfs/dbraw/zinc/39/39/13/1350393913.db2.gz SOHFUZKNBDRTTG-OUAUKWLOSA-N -1 1 346.261 2.003 20 5 EEBDMM O=C([O-])Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1F 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O=C([O-])[C@@H]1CSCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000901889957 980603537 /nfs/dbraw/zinc/60/35/37/980603537.db2.gz MGUPXGVWWLAIEY-JTQLQIEISA-N -1 1 330.793 2.498 20 5 EEBDMM CCO[C@H]1C[C@@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C12CCC2 ZINC000193727059 240285889 /nfs/dbraw/zinc/28/58/89/240285889.db2.gz OFYFLJZNSKEOIN-OLZOCXBDSA-N -1 1 335.360 2.115 20 5 EEBDMM O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000267968228 256100267 /nfs/dbraw/zinc/10/02/67/256100267.db2.gz ZXDMJZWTXWZAEX-UHFFFAOYSA-N -1 1 330.344 2.136 20 5 EEBDMM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc([O-])c(Cl)c1 ZINC000111666580 142364713 /nfs/dbraw/zinc/36/47/13/142364713.db2.gz YUENHXULXANYOQ-UHFFFAOYSA-N -1 1 349.730 2.322 20 5 EEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)c(F)c1 ZINC000344970349 161260605 /nfs/dbraw/zinc/26/06/05/161260605.db2.gz RWMCKMLXQZJZOF-UHFFFAOYSA-N -1 1 342.270 2.353 20 5 EEBDMM CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277951231 269201044 /nfs/dbraw/zinc/20/10/44/269201044.db2.gz CPASUAPDEHYEFV-YMTOWFKASA-N -1 1 349.318 2.341 20 5 EEBDMM Cc1cc2c(cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)OCO2 ZINC000442230320 315196650 /nfs/dbraw/zinc/19/66/50/315196650.db2.gz DUXMVXPTWYKKMP-UHFFFAOYSA-N -1 1 336.325 2.433 20 5 EEBDMM CC1(C)CCC(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000535366472 468308938 /nfs/dbraw/zinc/30/89/38/468308938.db2.gz RRDZQJHUSOZVJL-UHFFFAOYSA-N -1 1 327.406 2.485 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CCCCC(F)(F)C1 ZINC000579185675 468319919 /nfs/dbraw/zinc/31/99/19/468319919.db2.gz ROTHEWPYZCANNF-JTQLQIEISA-N -1 1 349.359 2.484 20 5 EEBDMM CN(C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccsc1 ZINC000269098119 463874969 /nfs/dbraw/zinc/87/49/69/463874969.db2.gz NWIKTHQLKYCAHS-CYBMUJFWSA-N -1 1 335.385 2.395 20 5 EEBDMM C[C@H](CCc1ccc(O)cc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185868679 463893964 /nfs/dbraw/zinc/89/39/64/463893964.db2.gz CNKFBEKIILDQPD-SNVBAGLBSA-N -1 1 331.328 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MABFSUPCEWUYNX-ZETCQYMHSA-N -1 1 332.349 2.108 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CCC(F)(F)C1 ZINC001593465906 1349803196 /nfs/dbraw/zinc/80/31/96/1349803196.db2.gz ZNKIOYWNPJIVEJ-SSDOTTSWSA-N -1 1 325.279 2.017 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CCC(F)(F)C1 ZINC001593465906 1349803199 /nfs/dbraw/zinc/80/31/99/1349803199.db2.gz ZNKIOYWNPJIVEJ-SSDOTTSWSA-N -1 1 325.279 2.017 20 5 EEBDMM O=[N+]([O-])c1cc(NC[C@@H](O)c2cccc(F)c2)ccc1-c1nn[n-]n1 ZINC001593474505 1349808525 /nfs/dbraw/zinc/80/85/25/1349808525.db2.gz QWAOSSLSPHZGKK-CQSZACIVSA-N -1 1 344.306 2.060 20 5 EEBDMM O=[N+]([O-])c1cc(OCc2ccnc(-c3nnn[n-]3)c2)ccc1Cl ZINC001593475146 1349809848 /nfs/dbraw/zinc/80/98/48/1349809848.db2.gz VPNQCDZWJYRYQJ-UHFFFAOYSA-N -1 1 332.707 2.402 20 5 EEBDMM O=[N+]([O-])c1cc(OCc2ccnc(-c3nn[n-]n3)c2)ccc1Cl ZINC001593475146 1349809854 /nfs/dbraw/zinc/80/98/54/1349809854.db2.gz VPNQCDZWJYRYQJ-UHFFFAOYSA-N -1 1 332.707 2.402 20 5 EEBDMM Cc1ccc(CN2CCC(n3cc(C(=O)[O-])nn3)CC2)cc1[N+](=O)[O-] ZINC001600413141 1350044013 /nfs/dbraw/zinc/04/40/13/1350044013.db2.gz UAIFUJSTGJMUAS-UHFFFAOYSA-N -1 1 345.359 2.030 20 5 EEBDMM Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC001600542734 1350077947 /nfs/dbraw/zinc/07/79/47/1350077947.db2.gz LLKRAUSKBJJHSI-UHFFFAOYSA-N -1 1 336.325 2.402 20 5 EEBDMM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC001600909289 1350165646 /nfs/dbraw/zinc/16/56/46/1350165646.db2.gz SHCSOEHCYKZYJF-ZDUSSCGKSA-N -1 1 347.375 2.055 20 5 EEBDMM CC(C)C[C@@H](CCO)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603263700 1350674821 /nfs/dbraw/zinc/67/48/21/1350674821.db2.gz RNUDHHDPBJFNID-LLVKDONJSA-N -1 1 334.380 2.232 20 5 EEBDMM CC(C)C[C@@H](CCO)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603263700 1350674823 /nfs/dbraw/zinc/67/48/23/1350674823.db2.gz RNUDHHDPBJFNID-LLVKDONJSA-N -1 1 334.380 2.232 20 5 EEBDMM CCN(Cc1ccccn1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604324757 1350915212 /nfs/dbraw/zinc/91/52/12/1350915212.db2.gz JHIZADJJHVUPTD-UHFFFAOYSA-N -1 1 325.332 2.196 20 5 EEBDMM CCN(Cc1ccccn1)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604324757 1350915213 /nfs/dbraw/zinc/91/52/13/1350915213.db2.gz JHIZADJJHVUPTD-UHFFFAOYSA-N -1 1 325.332 2.196 20 5 EEBDMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc([N+](=O)[O-])cc1 ZINC001605404764 1351154506 /nfs/dbraw/zinc/15/45/06/1351154506.db2.gz STZVAEDUAZYTKI-MRVPVSSYSA-N -1 1 344.356 2.327 20 5 EEBDMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc([N+](=O)[O-])cc1 ZINC001605404764 1351154508 /nfs/dbraw/zinc/15/45/08/1351154508.db2.gz STZVAEDUAZYTKI-MRVPVSSYSA-N -1 1 344.356 2.327 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001607077343 1351407192 /nfs/dbraw/zinc/40/71/92/1351407192.db2.gz RJPUTHUAIWMGJJ-VDAHYXPESA-N -1 1 337.290 2.016 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001607077343 1351407193 /nfs/dbraw/zinc/40/71/93/1351407193.db2.gz RJPUTHUAIWMGJJ-VDAHYXPESA-N -1 1 337.290 2.016 20 5 EEBDMM O=[N+]([O-])c1cc(NC[C@@H]2CCc3cccnc32)ccc1-c1nn[n-]n1 ZINC001607079894 1351408784 /nfs/dbraw/zinc/40/87/84/1351408784.db2.gz NRYRKWSAVXDXJP-NSHDSACASA-N -1 1 337.343 2.312 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCCc2occc2C1 ZINC001607085493 1351411778 /nfs/dbraw/zinc/41/17/78/1351411778.db2.gz GEGMVIQOXZQUPU-UHFFFAOYSA-N -1 1 332.345 2.382 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCCc2occc2C1 ZINC001607085493 1351411779 /nfs/dbraw/zinc/41/17/79/1351411779.db2.gz GEGMVIQOXZQUPU-UHFFFAOYSA-N -1 1 332.345 2.382 20 5 EEBDMM Cc1ccc(CN2CCC(O)(C3(C(=O)[O-])CCC3)CC2)cc1[N+](=O)[O-] ZINC001607781462 1351557548 /nfs/dbraw/zinc/55/75/48/1351557548.db2.gz WQOVOLBTNWCHPF-UHFFFAOYSA-N -1 1 348.399 2.485 20 5 EEBDMM CCC[C@H](O)CCCSc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001577326477 1403639864 /nfs/dbraw/zinc/63/98/64/1403639864.db2.gz RVFBJXHSDXCITF-JTQLQIEISA-N -1 1 338.393 2.203 20 5 EEBDMM 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EEBDMM NC(=O)N1CCCc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc21 ZINC000427944023 467187377 /nfs/dbraw/zinc/18/73/77/467187377.db2.gz FXHRBTCAZXFWNV-UHFFFAOYSA-N -1 1 329.316 2.007 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000452080739 467314849 /nfs/dbraw/zinc/31/48/49/467314849.db2.gz PFEDAGTWMJGJFD-SDDRHHMPSA-N -1 1 344.437 2.304 20 5 EEBDMM CCc1cnc(C[N-]S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)o1 ZINC000592046593 468605895 /nfs/dbraw/zinc/60/58/95/468605895.db2.gz ARCACAYROCYRQM-UHFFFAOYSA-N -1 1 339.373 2.186 20 5 EEBDMM CNc1nccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c1[N+](=O)[O-] ZINC000574530411 469275510 /nfs/dbraw/zinc/27/55/10/469275510.db2.gz BDVPNSCMGKABHN-SNVBAGLBSA-N -1 1 342.355 2.891 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(F)c(Cl)c1 ZINC000610262473 469996474 /nfs/dbraw/zinc/99/64/74/469996474.db2.gz KXCAPARLVHFGKP-UHFFFAOYSA-N -1 1 345.739 2.261 20 5 EEBDMM CO[C@@H]1[C@H](C)[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1(C)C 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346.690 2.428 20 5 EEBDMM O=C(OCc1ncn(-c2ccccc2)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780073713 1236397990 /nfs/dbraw/zinc/39/79/90/1236397990.db2.gz DDXZQVPIIBJRLG-UHFFFAOYSA-N -1 1 340.295 2.238 20 5 EEBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C)Cc1ccco1 ZINC001226309367 1301347106 /nfs/dbraw/zinc/34/71/06/1301347106.db2.gz FJUIVPIIJKSLBU-SECBINFHSA-N -1 1 336.300 2.475 20 5 EEBDMM C[C@H]1OCc2c1nc(=O)[n-]c2O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001227708900 1301937472 /nfs/dbraw/zinc/93/74/72/1301937472.db2.gz AFKYVBLISJIBKS-PELKAZGASA-N -1 1 329.312 2.228 20 5 EEBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000841552525 1315576402 /nfs/dbraw/zinc/57/64/02/1315576402.db2.gz WUVMIBBQZPDXGK-MRVPVSSYSA-N -1 1 344.780 2.021 20 5 EEBDMM O=C([N-]CCNc1cc2cccnc2c([N+](=O)[O-])c1)C(F)(F)F ZINC001164245955 1321329120 /nfs/dbraw/zinc/32/91/20/1321329120.db2.gz GOOYXOKQRZMULP-UHFFFAOYSA-N -1 1 328.250 2.233 20 5 EEBDMM CCOC(=O)c1c(Nc2ccc([O-])c([N+](=O)[O-])c2)nn2cccnc12 ZINC001210392283 1325263462 /nfs/dbraw/zinc/26/34/62/1325263462.db2.gz AYMSSAKDDBBTFU-UHFFFAOYSA-N -1 1 343.299 2.263 20 5 EEBDMM Cc1noc(C)c1CCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001606130294 1351276741 /nfs/dbraw/zinc/27/67/41/1351276741.db2.gz TXWLTFIXBNDTOR-UHFFFAOYSA-N -1 1 335.349 2.096 20 5 EEBDMM Cc1noc(C)c1CCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001606130294 1351276745 /nfs/dbraw/zinc/27/67/45/1351276745.db2.gz TXWLTFIXBNDTOR-UHFFFAOYSA-N -1 1 335.349 2.096 20 5 EEBDMM Cc1cncc(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])c1 ZINC001309360260 1331626935 /nfs/dbraw/zinc/62/69/35/1331626935.db2.gz FOAIOAHSKKQVLQ-UHFFFAOYSA-N -1 1 339.348 2.224 20 5 EEBDMM CO[C@@H]1C[C@H](N(C)c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C12CCC2 ZINC001609313932 1351930694 /nfs/dbraw/zinc/93/06/94/1351930694.db2.gz XWQWGOLHNBVSAZ-UONOGXRCSA-N -1 1 344.375 2.169 20 5 EEBDMM CO[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC001610237861 1352192101 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PHAGLRICUAZVET-CQSZACIVSA-N -1 1 346.391 2.416 20 5 EEBDMM Cc1cc(N[C@H](C)C2CCOCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592033546 1349586181 /nfs/dbraw/zinc/58/61/81/1349586181.db2.gz JFQHJPYJYRFFNV-SNVBAGLBSA-N -1 1 332.364 2.310 20 5 EEBDMM Cc1cc(N[C@H](C)C2CCOCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592033546 1349586183 /nfs/dbraw/zinc/58/61/83/1349586183.db2.gz JFQHJPYJYRFFNV-SNVBAGLBSA-N -1 1 332.364 2.310 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC[C@H]([C@H]2CCOC2)C1 ZINC001593466893 1349803857 /nfs/dbraw/zinc/80/38/57/1349803857.db2.gz OCRAKNIYXMXDAE-RYUDHWBXSA-N -1 1 344.375 2.028 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC[C@H]([C@H]2CCOC2)C1 ZINC001593466893 1349803862 /nfs/dbraw/zinc/80/38/62/1349803862.db2.gz OCRAKNIYXMXDAE-RYUDHWBXSA-N -1 1 344.375 2.028 20 5 EEBDMM O=[N+]([O-])c1cc(N2CCc3c(F)cccc3C2)ccc1-c1nn[n-]n1 ZINC001593470703 1349806389 /nfs/dbraw/zinc/80/63/89/1349806389.db2.gz HXYWGSZQJOFNEW-UHFFFAOYSA-N -1 1 340.318 2.477 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCOc3ccccc3C2)cc1-c1nnn[n-]1 ZINC001593479210 1349812070 /nfs/dbraw/zinc/81/20/70/1349812070.db2.gz UHXZAAOPMOUGSU-UHFFFAOYSA-N -1 1 338.327 2.174 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCOc3ccccc3C2)cc1-c1nn[n-]n1 ZINC001593479210 1349812073 /nfs/dbraw/zinc/81/20/73/1349812073.db2.gz UHXZAAOPMOUGSU-UHFFFAOYSA-N -1 1 338.327 2.174 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCNc2ccccc2C1 ZINC001593487203 1349816458 /nfs/dbraw/zinc/81/64/58/1349816458.db2.gz FLFRBECVXYOJCM-UHFFFAOYSA-N -1 1 343.372 2.269 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCNc2ccccc2C1 ZINC001593487203 1349816462 /nfs/dbraw/zinc/81/64/62/1349816462.db2.gz FLFRBECVXYOJCM-UHFFFAOYSA-N -1 1 343.372 2.269 20 5 EEBDMM CC(C)(C)OC(=O)CCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603085096 1350637057 /nfs/dbraw/zinc/63/70/57/1350637057.db2.gz KFZBRRUZIAALJD-UHFFFAOYSA-N -1 1 348.363 2.309 20 5 EEBDMM CC(C)O[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001603347523 1350692166 /nfs/dbraw/zinc/69/21/66/1350692166.db2.gz QJVHQVMOLZCUNG-LBPRGKRZSA-N -1 1 332.364 2.169 20 5 EEBDMM CC(C)O[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001603347523 1350692170 /nfs/dbraw/zinc/69/21/70/1350692170.db2.gz QJVHQVMOLZCUNG-LBPRGKRZSA-N -1 1 332.364 2.169 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2c1cccc2F ZINC001607077357 1351407170 /nfs/dbraw/zinc/40/71/70/1351407170.db2.gz RRAHYEDNQIEYAG-UHFFFAOYSA-N -1 1 327.279 2.003 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCc2c1cccc2F ZINC001607077357 1351407171 /nfs/dbraw/zinc/40/71/71/1351407171.db2.gz RRAHYEDNQIEYAG-UHFFFAOYSA-N -1 1 327.279 2.003 20 5 EEBDMM O=[N+]([O-])c1cc(N2CC[C@H](C3CCOCC3)C2)ccc1-c1nn[n-]n1 ZINC001607078453 1351407371 /nfs/dbraw/zinc/40/73/71/1351407371.db2.gz ALIXFEVZNWPFNV-LBPRGKRZSA-N -1 1 344.375 2.028 20 5 EEBDMM COc1cccc(CN(C)c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1 ZINC001591638262 1403932917 /nfs/dbraw/zinc/93/29/17/1403932917.db2.gz QKOWXEWXFNBDKK-UHFFFAOYSA-N -1 1 346.372 2.481 20 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/nfs/dbraw/zinc/77/67/73/235776773.db2.gz PLNONFPNLXHYPN-ZDUSSCGKSA-N -1 1 340.357 2.162 20 5 EEBDMM Cc1ccccc1O[C@@H](C)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193634502 240244201 /nfs/dbraw/zinc/24/42/01/240244201.db2.gz YZSXXCLOUQJWQW-NSHDSACASA-N -1 1 331.328 2.201 20 5 EEBDMM O=C(NCCc1c[nH]c2cc(F)ccc12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000438560361 242034789 /nfs/dbraw/zinc/03/47/89/242034789.db2.gz XCPJLAGZMMPRTQ-UHFFFAOYSA-N -1 1 344.302 2.288 20 5 EEBDMM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000262841203 245205914 /nfs/dbraw/zinc/20/59/14/245205914.db2.gz GYKBOGPWKTUYFE-INIZCTEOSA-N -1 1 346.343 2.044 20 5 EEBDMM O=C(NCCCn1ccc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186806582 160084406 /nfs/dbraw/zinc/08/44/06/160084406.db2.gz OLIZBMYNEYXNLC-UHFFFAOYSA-N -1 1 340.339 2.470 20 5 EEBDMM Cn1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000358864989 164003330 /nfs/dbraw/zinc/00/33/30/164003330.db2.gz YHNNIEHECBIDOV-UHFFFAOYSA-N -1 1 329.765 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AAOGKXHSBCNCCP-NWDGAFQWSA-N -1 1 325.390 2.094 20 5 EEBDMM C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCOC1 ZINC000357417349 466020030 /nfs/dbraw/zinc/02/00/30/466020030.db2.gz CWAJFSBDRAMZBQ-GFCCVEGCSA-N -1 1 334.781 2.096 20 5 EEBDMM Cc1cnc(S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[n-]c1=O ZINC000594897677 468718079 /nfs/dbraw/zinc/71/80/79/468718079.db2.gz PGMXVKQEPYIEBD-LBPRGKRZSA-N -1 1 346.368 2.296 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000598773165 468998296 /nfs/dbraw/zinc/99/82/96/468998296.db2.gz JWXMTDPXOYRGGA-FZMZJTMJSA-N -1 1 335.360 2.117 20 5 EEBDMM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(CCC(=O)[O-])CC1 ZINC000595883272 469061519 /nfs/dbraw/zinc/06/15/19/469061519.db2.gz WNSWZKANDKACGS-GFCCVEGCSA-N -1 1 349.387 2.499 20 5 EEBDMM COc1ccc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1F ZINC000776316271 577457593 /nfs/dbraw/zinc/45/75/93/577457593.db2.gz IUQWSGONLFUFNY-UHFFFAOYSA-N -1 1 335.291 2.115 20 5 EEBDMM CC(C)N(CCC(=O)[O-])CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000736466195 578205921 /nfs/dbraw/zinc/20/59/21/578205921.db2.gz RBDNSTOHAVHMTL-UHFFFAOYSA-N -1 1 343.767 2.372 20 5 EEBDMM COc1ccc(CN(C)c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC000821794410 606644369 /nfs/dbraw/zinc/64/43/69/606644369.db2.gz GEHBCFXZVMODNV-UHFFFAOYSA-N -1 1 340.343 2.420 20 5 EEBDMM COc1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1C ZINC000821716945 606701360 /nfs/dbraw/zinc/70/13/60/606701360.db2.gz ICOPLDVSUUTNNF-UHFFFAOYSA-N -1 1 341.331 2.099 20 5 EEBDMM COc1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1C ZINC000821716945 606701361 /nfs/dbraw/zinc/70/13/61/606701361.db2.gz ICOPLDVSUUTNNF-UHFFFAOYSA-N -1 1 341.331 2.099 20 5 EEBDMM CCc1nnc(Oc2cccc([N+](=O)[O-])c2)c(-c2nnn[n-]2)c1CC ZINC000821548707 606916451 /nfs/dbraw/zinc/91/64/51/606916451.db2.gz USEDXUOHPVEXAX-UHFFFAOYSA-N -1 1 341.331 2.482 20 5 EEBDMM CCc1nnc(Oc2cccc([N+](=O)[O-])c2)c(-c2nn[n-]n2)c1CC ZINC000821548707 606916453 /nfs/dbraw/zinc/91/64/53/606916453.db2.gz USEDXUOHPVEXAX-UHFFFAOYSA-N -1 1 341.331 2.482 20 5 EEBDMM Cc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC000826292449 607863795 /nfs/dbraw/zinc/86/37/95/607863795.db2.gz VRFGXXUVYZWYQD-UHFFFAOYSA-N -1 1 331.313 2.364 20 5 EEBDMM Cc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC000826292449 607863796 /nfs/dbraw/zinc/86/37/96/607863796.db2.gz VRFGXXUVYZWYQD-UHFFFAOYSA-N -1 1 331.313 2.364 20 5 EEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCCCS1 ZINC000126550035 1199943037 /nfs/dbraw/zinc/94/30/37/1199943037.db2.gz FDOOICNAXSWNLX-SECBINFHSA-N -1 1 334.394 2.298 20 5 EEBDMM CCCn1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000882119659 1201818523 /nfs/dbraw/zinc/81/85/23/1201818523.db2.gz KJVJHZHJNDMTLQ-UHFFFAOYSA-N -1 1 329.403 2.346 20 5 EEBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000778144078 1207707610 /nfs/dbraw/zinc/70/76/10/1207707610.db2.gz SMFGDJUSSBFFOD-UHFFFAOYSA-N -1 1 344.323 2.485 20 5 EEBDMM O=C(NC[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1)c1ncccc1[O-] ZINC001046797006 1235196718 /nfs/dbraw/zinc/19/67/18/1235196718.db2.gz ZEHMAXQTEJANKF-HAQNSBGRSA-N -1 1 342.355 2.316 20 5 EEBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(OC[C@H]3C[C@@H](O)C3)c12 ZINC001218434373 1297663836 /nfs/dbraw/zinc/66/38/36/1297663836.db2.gz GKCUKCYFNGIUFP-DTORHVGOSA-N -1 1 344.319 2.213 20 5 EEBDMM CC(=O)c1c(O)cc([O-])cc1O[C@@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001225679753 1301121756 /nfs/dbraw/zinc/12/17/56/1301121756.db2.gz SAJYJFGSEFSSBF-QMMMGPOBSA-N -1 1 335.316 2.181 20 5 EEBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CCOC(C)(C)C1 ZINC001226308964 1301347640 /nfs/dbraw/zinc/34/76/40/1301347640.db2.gz AGHQWNQWJCWZCF-SECBINFHSA-N -1 1 340.332 2.209 20 5 EEBDMM O=c1c2ccc([O-])cc2oc2cc(O[C@@H]3CCS(=O)(=O)C3)ccc21 ZINC001229517801 1302829914 /nfs/dbraw/zinc/82/99/14/1302829914.db2.gz QIVQFCRJNCMQHB-GFCCVEGCSA-N -1 1 346.360 2.218 20 5 EEBDMM CN(CCCN(C)c1ccccc1[N+](=O)[O-])C(=O)c1ncccc1[O-] ZINC001112081244 1304212715 /nfs/dbraw/zinc/21/27/15/1304212715.db2.gz LKTIMJOZIGZIRS-UHFFFAOYSA-N -1 1 344.371 2.294 20 5 EEBDMM COc1cccc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1 ZINC001605318070 1351134567 /nfs/dbraw/zinc/13/45/67/1351134567.db2.gz KUHYEZRAZDFUJZ-UHFFFAOYSA-N -1 1 332.345 2.457 20 5 EEBDMM COc1cccc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c1 ZINC001605318070 1351134570 /nfs/dbraw/zinc/13/45/70/1351134570.db2.gz KUHYEZRAZDFUJZ-UHFFFAOYSA-N -1 1 332.345 2.457 20 5 EEBDMM C[C@@H](Cc1cccnc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC001309943044 1331648003 /nfs/dbraw/zinc/64/80/03/1331648003.db2.gz JMMVQHOFJGIJCU-JTQLQIEISA-N -1 1 339.348 2.038 20 5 EEBDMM O=[N+]([O-])c1cc(N[C@H]2CCO[C@H](C3CC3)C2)ccc1-c1nn[n-]n1 ZINC001609601297 1352030779 /nfs/dbraw/zinc/03/07/79/1352030779.db2.gz WBIDWYAPSIJDJQ-FZMZJTMJSA-N -1 1 330.348 2.144 20 5 EEBDMM CC(C)(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001589105214 1348961109 /nfs/dbraw/zinc/96/11/09/1348961109.db2.gz SRUHOUZHMFDTNR-CYBMUJFWSA-N -1 1 332.364 2.026 20 5 EEBDMM CC(C)(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001589105214 1348961113 /nfs/dbraw/zinc/96/11/13/1348961113.db2.gz SRUHOUZHMFDTNR-CYBMUJFWSA-N -1 1 332.364 2.026 20 5 EEBDMM CC(C)c1nn(C)cc1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589778075 1349037287 /nfs/dbraw/zinc/03/72/87/1349037287.db2.gz XOGIBMYIJQCZHO-UHFFFAOYSA-N -1 1 334.365 2.437 20 5 EEBDMM CC(C)c1nn(C)cc1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589778075 1349037292 /nfs/dbraw/zinc/03/72/92/1349037292.db2.gz XOGIBMYIJQCZHO-UHFFFAOYSA-N -1 1 334.365 2.437 20 5 EEBDMM C[C@H]1C[C@@H](CCNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001590191979 1349191911 /nfs/dbraw/zinc/19/19/11/1349191911.db2.gz ZIVCHEIDQOBVEK-IUCAKERBSA-N -1 1 338.393 2.454 20 5 EEBDMM C[C@H]1C[C@@H](CCNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001590191979 1349191915 /nfs/dbraw/zinc/19/19/15/1349191915.db2.gz ZIVCHEIDQOBVEK-IUCAKERBSA-N -1 1 338.393 2.454 20 5 EEBDMM O=[N+]([O-])c1cc(N2CCOC[C@H](C3CCC3)C2)ccc1-c1nn[n-]n1 ZINC001593471200 1349807421 /nfs/dbraw/zinc/80/74/21/1349807421.db2.gz KTTDWYITOVHYBP-GFCCVEGCSA-N -1 1 344.375 2.028 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2C2CCOCC2)cc1-c1nnn[n-]1 ZINC001593479182 1349811621 /nfs/dbraw/zinc/81/16/21/1349811621.db2.gz SWYBBHLZZCHWKU-AWEZNQCLSA-N -1 1 344.375 2.170 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2C2CCOCC2)cc1-c1nn[n-]n1 ZINC001593479182 1349811629 /nfs/dbraw/zinc/81/16/29/1349811629.db2.gz SWYBBHLZZCHWKU-AWEZNQCLSA-N -1 1 344.375 2.170 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCc3cccc(F)c3C2)cc1-c1nnn[n-]1 ZINC001593478691 1349812326 /nfs/dbraw/zinc/81/23/26/1349812326.db2.gz JWMTZJDJGYKYNS-UHFFFAOYSA-N -1 1 340.318 2.477 20 5 EEBDMM O=[N+]([O-])c1ccc(N2CCc3cccc(F)c3C2)cc1-c1nn[n-]n1 ZINC001593478691 1349812329 /nfs/dbraw/zinc/81/23/29/1349812329.db2.gz JWMTZJDJGYKYNS-UHFFFAOYSA-N -1 1 340.318 2.477 20 5 EEBDMM O=[N+]([O-])c1ccccc1Oc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001593486661 1349815489 /nfs/dbraw/zinc/81/54/89/1349815489.db2.gz FVGCJTKHSRNLLI-UHFFFAOYSA-N -1 1 325.288 2.235 20 5 EEBDMM O=[N+]([O-])c1ccccc1Oc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001593486661 1349815494 /nfs/dbraw/zinc/81/54/94/1349815494.db2.gz FVGCJTKHSRNLLI-UHFFFAOYSA-N -1 1 325.288 2.235 20 5 EEBDMM O=C([O-])C12CCC(CC1)N2Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001601733040 1350350917 /nfs/dbraw/zinc/35/09/17/1350350917.db2.gz CLJJEBVEETYGRJ-UHFFFAOYSA-N -1 1 334.328 2.043 20 5 EEBDMM CCOC(=O)C[C@H](C)CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590761188 1403899208 /nfs/dbraw/zinc/89/92/08/1403899208.db2.gz RYLACAXJZUUDNR-VIFPVBQESA-N -1 1 348.363 2.085 20 5 EEBDMM CCOC(=O)C[C@H](C)CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590761188 1403899216 /nfs/dbraw/zinc/89/92/16/1403899216.db2.gz RYLACAXJZUUDNR-VIFPVBQESA-N -1 1 348.363 2.085 20 5 EEBDMM O=[N+]([O-])c1cccnc1NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001167935888 780996077 /nfs/dbraw/zinc/99/60/77/780996077.db2.gz UDPAKXSUSAERJQ-UHFFFAOYSA-N -1 1 335.256 2.075 20 5 EEBDMM CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)c1ncccc1[O-] ZINC001106727039 796296197 /nfs/dbraw/zinc/29/61/97/796296197.db2.gz HCGGZHVGKFLPEG-UHFFFAOYSA-N -1 1 330.344 2.270 20 5 EEBDMM O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[N-]OC1CCOCC1 ZINC000790569391 808806012 /nfs/dbraw/zinc/80/60/12/808806012.db2.gz WNYFSXSRQDPJIL-UHFFFAOYSA-N -1 1 332.715 2.157 20 5 EEBDMM C[C@@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccn1 ZINC001575136861 952129554 /nfs/dbraw/zinc/12/95/54/952129554.db2.gz QGYLEZWLDPDACJ-JTQLQIEISA-N -1 1 325.332 2.386 20 5 EEBDMM C[C@@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccn1 ZINC001575136861 952129562 /nfs/dbraw/zinc/12/95/62/952129562.db2.gz QGYLEZWLDPDACJ-JTQLQIEISA-N -1 1 325.332 2.386 20 5 EEBDMM C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589115576 956095593 /nfs/dbraw/zinc/09/55/93/956095593.db2.gz XTGSBWZHPLEVPD-AQUOVQTQSA-N -1 1 336.344 2.166 20 5 EEBDMM COc1cc(CNCc2ccccc2C(=O)[O-])c([N+](=O)[O-])cc1O ZINC001604716532 973916153 /nfs/dbraw/zinc/91/61/53/973916153.db2.gz QBPQTTUMRYJULX-UHFFFAOYSA-N -1 1 332.312 2.297 20 5 EEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCN2Cc2ccccc2)n1 ZINC000716179947 977813001 /nfs/dbraw/zinc/81/30/01/977813001.db2.gz UGRKTRFMJNLBMC-CYBMUJFWSA-N -1 1 342.355 2.374 20 5 EEBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C1CCC1 ZINC000052210715 214122791 /nfs/dbraw/zinc/12/27/91/214122791.db2.gz HZCVHAXABVCOKS-UHFFFAOYSA-N -1 1 335.179 2.188 20 5 EEBDMM COc1cc(CN(C)[C@@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000262650060 245095331 /nfs/dbraw/zinc/09/53/31/245095331.db2.gz LCKGJBOLAREFNS-ZETCQYMHSA-N -1 1 334.275 2.110 20 5 EEBDMM O=C(NCc1ccc(F)c(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187062527 160092262 /nfs/dbraw/zinc/09/22/62/160092262.db2.gz NBRGOTQVSXJACO-UHFFFAOYSA-N -1 1 325.683 2.418 20 5 EEBDMM CS(=O)(=O)Nc1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000355719972 163280568 /nfs/dbraw/zinc/28/05/68/163280568.db2.gz LAVGKZAKDICZSR-UHFFFAOYSA-N -1 1 349.328 2.011 20 5 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320315120 /nfs/dbraw/zinc/31/51/20/320315120.db2.gz XDGHRCJVSGSHNT-LBPRGKRZSA-N -1 1 336.373 2.464 20 5 EEBDMM O=C([O-])[C@@]1(NCc2cccc([N+](=O)[O-])c2)CCOc2ccccc21 ZINC000336877746 465071337 /nfs/dbraw/zinc/07/13/37/465071337.db2.gz VFMVAYVOKPQJKT-QGZVFWFLSA-N -1 1 328.324 2.447 20 5 EEBDMM CCc1nnsc1C(=O)[N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000114795165 462681127 /nfs/dbraw/zinc/68/11/27/462681127.db2.gz LYSZSOFAPCXRSX-UHFFFAOYSA-N -1 1 345.344 2.046 20 5 EEBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cccc2n[nH]cc21 ZINC000133491956 462938035 /nfs/dbraw/zinc/93/80/35/462938035.db2.gz NYCAXNQDIYLWDA-UHFFFAOYSA-N -1 1 346.368 2.456 20 5 EEBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCc2ccccc2C1 ZINC000185657512 463857013 /nfs/dbraw/zinc/85/70/13/463857013.db2.gz GXVRIEGRYIZGIO-CQSZACIVSA-N -1 1 327.340 2.325 20 5 EEBDMM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000282304691 464770569 /nfs/dbraw/zinc/77/05/69/464770569.db2.gz 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CS(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1Cl ZINC000487289294 468030897 /nfs/dbraw/zinc/03/08/97/468030897.db2.gz PMJIYNROAPGVKA-UHFFFAOYSA-N -1 1 343.748 2.232 20 5 EEBDMM O=C([O-])c1cc(N[C@@H]2CCCC[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000519763679 468207151 /nfs/dbraw/zinc/20/71/51/468207151.db2.gz CRTDCPGPOXHQTK-ZBFHGGJFSA-N -1 1 349.387 2.348 20 5 EEBDMM C[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@H]1C(=O)[O-] ZINC000593748482 469121823 /nfs/dbraw/zinc/12/18/23/469121823.db2.gz NWYKSKMCXLKNFN-GXFFZTMASA-N -1 1 346.343 2.187 20 5 EEBDMM CO[C@@H]1[C@@H](C)[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1(C)C ZINC000775739365 577444351 /nfs/dbraw/zinc/44/43/51/577444351.db2.gz FUXOUYVVIPZAIQ-ZEGGKSINSA-N -1 1 346.380 2.072 20 5 EEBDMM COc1cc(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)ccc1[N+](=O)[O-] ZINC000762309730 577699074 /nfs/dbraw/zinc/69/90/74/577699074.db2.gz TZNPMGCTLXCHNX-UHFFFAOYSA-N -1 1 345.271 2.481 20 5 EEBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cncc(Br)c2)no1 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HSSGQZWINYQQJH-UHFFFAOYSA-N -1 1 338.307 2.448 20 5 EEBDMM O=C(NCc1cccc(Cl)c1F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001318778851 1332594659 /nfs/dbraw/zinc/59/46/59/1332594659.db2.gz HBUBAANFPBDXMZ-UHFFFAOYSA-N -1 1 325.683 2.418 20 5 EEBDMM C[C@@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC001609132606 1351854670 /nfs/dbraw/zinc/85/46/70/1351854670.db2.gz BWYKFKUDLKZQTR-SECBINFHSA-N -1 1 340.299 2.088 20 5 EEBDMM C[C@@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001609132606 1351854673 /nfs/dbraw/zinc/85/46/73/1351854673.db2.gz BWYKFKUDLKZQTR-SECBINFHSA-N -1 1 340.299 2.088 20 5 EEBDMM CCC1(CC)CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001609196899 1351885326 /nfs/dbraw/zinc/88/53/26/1351885326.db2.gz HUJQBIZEUPJFDB-UHFFFAOYSA-N -1 1 331.380 2.374 20 5 EEBDMM CCC1(CC)CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001609196899 1351885331 /nfs/dbraw/zinc/88/53/31/1351885331.db2.gz HUJQBIZEUPJFDB-UHFFFAOYSA-N -1 1 331.380 2.374 20 5 EEBDMM O=[N+]([O-])c1c(N[C@@H]2CCOC3(CCC3)C2)cccc1-c1nnn[n-]1 ZINC001609600245 1352030661 /nfs/dbraw/zinc/03/06/61/1352030661.db2.gz YTZPBASWEGAINA-SNVBAGLBSA-N -1 1 330.348 2.289 20 5 EEBDMM O=[N+]([O-])c1c(N[C@@H]2CCOC3(CCC3)C2)cccc1-c1nn[n-]n1 ZINC001609600245 1352030663 /nfs/dbraw/zinc/03/06/63/1352030663.db2.gz YTZPBASWEGAINA-SNVBAGLBSA-N -1 1 330.348 2.289 20 5 EEBDMM Cc1ncc(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)s1 ZINC001610562675 1352245388 /nfs/dbraw/zinc/24/53/88/1352245388.db2.gz JOOIZEAXVRXGPC-UHFFFAOYSA-N -1 1 337.357 2.113 20 5 EEBDMM O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1ccc(-c2nn[n-]n2)s1 ZINC001582804633 1344793294 /nfs/dbraw/zinc/79/32/94/1344793294.db2.gz ISTQNQDIROTUSO-UHFFFAOYSA-N -1 1 347.316 2.357 20 5 EEBDMM CC(C)[C@@H]1C[C@@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001589499447 1348996542 /nfs/dbraw/zinc/99/65/42/1348996542.db2.gz PZLRUCAOXCSHKD-JQWIXIFHSA-N -1 1 347.379 2.033 20 5 EEBDMM CC(C)[C@@H]1C[C@@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001589499447 1348996544 /nfs/dbraw/zinc/99/65/44/1348996544.db2.gz PZLRUCAOXCSHKD-JQWIXIFHSA-N -1 1 347.379 2.033 20 5 EEBDMM C[C@@H](NC(=O)c1ccsc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001589949528 1349076247 /nfs/dbraw/zinc/07/62/47/1349076247.db2.gz MNRUXXCXSNNMHR-MRVPVSSYSA-N -1 1 344.356 2.327 20 5 EEBDMM C[C@@H](NC(=O)c1ccsc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001589949528 1349076252 /nfs/dbraw/zinc/07/62/52/1349076252.db2.gz MNRUXXCXSNNMHR-MRVPVSSYSA-N -1 1 344.356 2.327 20 5 EEBDMM C[C@@]12CCN(c3cc(-c4nnn[n-]4)sc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC001590154972 1349177047 /nfs/dbraw/zinc/17/70/47/1349177047.db2.gz FULONPRAMOROOO-GZMMTYOYSA-N -1 1 342.331 2.318 20 5 EEBDMM C[C@@]12CCN(c3cc(-c4nn[n-]n4)sc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC001590154972 1349177049 /nfs/dbraw/zinc/17/70/49/1349177049.db2.gz FULONPRAMOROOO-GZMMTYOYSA-N -1 1 342.331 2.318 20 5 EEBDMM Cc1cc(NC[C@]2(C)CCCC[C@@H]2O)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592041650 1349587534 /nfs/dbraw/zinc/58/75/34/1349587534.db2.gz QIWHFQBUHLWXIX-BBRMVZONSA-N -1 1 346.391 2.436 20 5 EEBDMM Cc1cc(NC[C@]2(C)CCCC[C@@H]2O)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592041650 1349587538 /nfs/dbraw/zinc/58/75/38/1349587538.db2.gz QIWHFQBUHLWXIX-BBRMVZONSA-N -1 1 346.391 2.436 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC=C(c2cccnc2)C1 ZINC001593465748 1349802030 /nfs/dbraw/zinc/80/20/30/1349802030.db2.gz AAAVCYMKJLJOIK-UHFFFAOYSA-N -1 1 349.354 2.464 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC=C(c2cccnc2)C1 ZINC001593465748 1349802031 /nfs/dbraw/zinc/80/20/31/1349802031.db2.gz AAAVCYMKJLJOIK-UHFFFAOYSA-N -1 1 349.354 2.464 20 5 EEBDMM O=[N+]([O-])c1c(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cccc1-c1nnn[n-]1 ZINC001593465429 1349802338 /nfs/dbraw/zinc/80/23/38/1349802338.db2.gz OGLWKHAOIGITJT-XWIASGKRSA-N -1 1 330.348 2.144 20 5 EEBDMM O=[N+]([O-])c1c(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cccc1-c1nn[n-]n1 ZINC001593465429 1349802346 /nfs/dbraw/zinc/80/23/46/1349802346.db2.gz OGLWKHAOIGITJT-XWIASGKRSA-N -1 1 330.348 2.144 20 5 EEBDMM O=[N+]([O-])c1c(N[C@@H]2CCC[C@@H]3OCC[C@H]32)cccc1-c1nnn[n-]1 ZINC001593465424 1349802597 /nfs/dbraw/zinc/80/25/97/1349802597.db2.gz OGLWKHAOIGITJT-NDMJEZRESA-N -1 1 330.348 2.144 20 5 EEBDMM O=[N+]([O-])c1c(N[C@@H]2CCC[C@@H]3OCC[C@H]32)cccc1-c1nn[n-]n1 ZINC001593465424 1349802603 /nfs/dbraw/zinc/80/26/03/1349802603.db2.gz OGLWKHAOIGITJT-NDMJEZRESA-N -1 1 330.348 2.144 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCNc2ccccc2C1 ZINC001593466784 1349803252 /nfs/dbraw/zinc/80/32/52/1349803252.db2.gz XIDBQIBPQPRUDB-UHFFFAOYSA-N -1 1 337.343 2.207 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCNc2ccccc2C1 ZINC001593466784 1349803255 /nfs/dbraw/zinc/80/32/55/1349803255.db2.gz XIDBQIBPQPRUDB-UHFFFAOYSA-N -1 1 337.343 2.207 20 5 EEBDMM O=[N+]([O-])c1cc(N2CCC(OCC3CC3)CC2)ccc1-c1nn[n-]n1 ZINC001593471567 1349806539 /nfs/dbraw/zinc/80/65/39/1349806539.db2.gz NHKUEKPGKDQOFZ-UHFFFAOYSA-N -1 1 344.375 2.170 20 5 EEBDMM C[C@@]12CN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC001605433663 1351157592 /nfs/dbraw/zinc/15/75/92/1351157592.db2.gz YPVRURUDYGFGDI-VYTXNUKWSA-N -1 1 338.371 2.423 20 5 EEBDMM C[C@@]12CN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC001605433663 1351157595 /nfs/dbraw/zinc/15/75/95/1351157595.db2.gz YPVRURUDYGFGDI-VYTXNUKWSA-N -1 1 338.371 2.423 20 5 EEBDMM C[C@@]12CN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC001605433658 1351157692 /nfs/dbraw/zinc/15/76/92/1351157692.db2.gz YPVRURUDYGFGDI-IWBURCCVSA-N -1 1 338.371 2.423 20 5 EEBDMM C[C@@]12CN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC001605433658 1351157695 /nfs/dbraw/zinc/15/76/95/1351157695.db2.gz YPVRURUDYGFGDI-IWBURCCVSA-N -1 1 338.371 2.423 20 5 EEBDMM COC(=O)CC[C@@H](C(=O)[O-])N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001606448260 1351303603 /nfs/dbraw/zinc/30/36/03/1351303603.db2.gz FVWDAJMLKYXRMG-LBPRGKRZSA-N -1 1 344.751 2.086 20 5 EEBDMM O=[N+]([O-])c1cc(NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)ccc1-c1nn[n-]n1 ZINC001607079953 1351409465 /nfs/dbraw/zinc/40/94/65/1351409465.db2.gz PUFQVEBNXPNALL-CHIMOYNISA-N -1 1 330.348 2.144 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001607088930 1351413543 /nfs/dbraw/zinc/41/35/43/1351413543.db2.gz ZIUMCUKFHDZCNZ-NRPADANISA-N -1 1 336.377 2.206 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001607088930 1351413544 /nfs/dbraw/zinc/41/35/44/1351413544.db2.gz ZIUMCUKFHDZCNZ-NRPADANISA-N -1 1 336.377 2.206 20 5 EEBDMM CCCCOCCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194331755 782876758 /nfs/dbraw/zinc/87/67/58/782876758.db2.gz AULKQYHRBACWRQ-UHFFFAOYSA-N -1 1 334.369 2.219 20 5 EEBDMM O=C([O-])C=Cc1ccc(NCc2n[nH]c(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000844216728 788934741 /nfs/dbraw/zinc/93/47/41/788934741.db2.gz VDRAGSXEKKZPPJ-KXFIGUGUSA-N -1 1 329.316 2.300 20 5 EEBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000157884988 790058024 /nfs/dbraw/zinc/05/80/24/790058024.db2.gz KZABJPUDLMLDQY-CMPLNLGQSA-N -1 1 348.808 2.484 20 5 EEBDMM O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187220051 236150429 /nfs/dbraw/zinc/15/04/29/236150429.db2.gz BPMYHRFYSZRNMF-GFCCVEGCSA-N -1 1 347.302 2.478 20 5 EEBDMM CN(CCc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)C(=O)OC(C)(C)C ZINC000495322677 247122089 /nfs/dbraw/zinc/12/20/89/247122089.db2.gz UKUGXQFPFDQTAL-UHFFFAOYSA-N -1 1 337.336 2.382 20 5 EEBDMM O=C(Nc1cc(Br)ccc1[O-])c1n[nH]cc1[N+](=O)[O-] ZINC000132585791 292402581 /nfs/dbraw/zinc/40/25/81/292402581.db2.gz HVBDFCBTZUVFML-UHFFFAOYSA-N -1 1 327.094 2.038 20 5 EEBDMM COc1cccc(Cl)c1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000191886438 160162848 /nfs/dbraw/zinc/16/28/48/160162848.db2.gz GCSQQZGLAYBAFR-UHFFFAOYSA-N -1 1 337.719 2.287 20 5 EEBDMM C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000352346265 162097055 /nfs/dbraw/zinc/09/70/55/162097055.db2.gz RBLYRGZPLMBDHM-VXNVDRBHSA-N -1 1 336.822 2.278 20 5 EEBDMM COC1(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000292809657 275482527 /nfs/dbraw/zinc/48/25/27/275482527.db2.gz NBEVOQFJYKOQTR-UHFFFAOYSA-N -1 1 348.808 2.486 20 5 EEBDMM Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000298871248 294606426 /nfs/dbraw/zinc/60/64/26/294606426.db2.gz GPRWOJITABBBJL-UHFFFAOYSA-N -1 1 330.344 2.320 20 5 EEBDMM C[C@H]1CC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000162936716 311379595 /nfs/dbraw/zinc/37/95/95/311379595.db2.gz SMDDEEXKUUDUNY-IUCAKERBSA-N -1 1 348.808 2.483 20 5 EEBDMM CN(C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1F ZINC000436890745 315010506 /nfs/dbraw/zinc/01/05/06/315010506.db2.gz GFMNQMVVQJKLBU-UHFFFAOYSA-N -1 1 347.346 2.431 20 5 EEBDMM CCc1nc([C@@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n[nH]1 ZINC000566283368 319268711 /nfs/dbraw/zinc/26/87/11/319268711.db2.gz MNZCVYHVKYGGCK-ZCFIWIBFSA-N -1 1 339.739 2.125 20 5 EEBDMM CC(C)(C)c1nc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000576947425 320219125 /nfs/dbraw/zinc/21/91/25/320219125.db2.gz PTVOGRNJTXOOIG-UHFFFAOYSA-N -1 1 333.348 2.250 20 5 EEBDMM C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000158323715 463226128 /nfs/dbraw/zinc/22/61/28/463226128.db2.gz OATJUDQHECUSMF-XPTSAGLGSA-N -1 1 349.318 2.077 20 5 EEBDMM COc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1Cl ZINC000193730448 463733877 /nfs/dbraw/zinc/73/38/77/463733877.db2.gz CIMIIWJNRAFXQY-UHFFFAOYSA-N -1 1 337.719 2.287 20 5 EEBDMM Cc1cc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)ncc1[N+](=O)[O-] ZINC000282023806 464671997 /nfs/dbraw/zinc/67/19/97/464671997.db2.gz XRTDUDDHMDWFCK-UHFFFAOYSA-N -1 1 346.309 2.193 20 5 EEBDMM CS(=O)(=O)[N-]c1ccc(Oc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000340852769 466383874 /nfs/dbraw/zinc/38/38/74/466383874.db2.gz JKEDDOUMLDSVAI-UHFFFAOYSA-N -1 1 327.293 2.293 20 5 EEBDMM C[C@H](COc1cccc(F)c1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361919228 466406416 /nfs/dbraw/zinc/40/64/16/466406416.db2.gz OYNPCQZIJCEEJG-SECBINFHSA-N -1 1 335.291 2.032 20 5 EEBDMM Cc1cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc([N+](=O)[O-])c1 ZINC000332277875 466485497 /nfs/dbraw/zinc/48/54/97/466485497.db2.gz HOSDLEQJJJWLKH-JTQLQIEISA-N -1 1 332.316 2.012 20 5 EEBDMM CCOC(=O)COc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000324826010 466649703 /nfs/dbraw/zinc/64/97/03/466649703.db2.gz ZPOFYSDHKNNFFH-UHFFFAOYSA-N -1 1 333.300 2.117 20 5 EEBDMM CC(C)CC1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCC1 ZINC000532060016 468093543 /nfs/dbraw/zinc/09/35/43/468093543.db2.gz IHTCWIRGYNEFSX-UHFFFAOYSA-N -1 1 327.406 2.485 20 5 EEBDMM CCC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000532855706 468146137 /nfs/dbraw/zinc/14/61/37/468146137.db2.gz YEXARQHTDHVPNM-VXGBXAGGSA-N -1 1 344.437 2.448 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000597605265 468614724 /nfs/dbraw/zinc/61/47/24/468614724.db2.gz UKJHVIIWEBSNJO-UMVBOHGHSA-N -1 1 349.387 2.241 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1CCC(F)(F)CC1 ZINC000558573665 468689494 /nfs/dbraw/zinc/68/94/94/468689494.db2.gz SSCQUZUKDRLHEM-UHFFFAOYSA-N -1 1 335.332 2.094 20 5 EEBDMM C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000610739718 469056466 /nfs/dbraw/zinc/05/64/66/469056466.db2.gz MBQBAXKDUHGVME-NXEZZACHSA-N -1 1 348.808 2.342 20 5 EEBDMM O=C(NCc1ccccc1N1CCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000609442337 469927156 /nfs/dbraw/zinc/92/71/56/469927156.db2.gz DQGDCWKDAXNBDA-UHFFFAOYSA-N -1 1 342.355 2.226 20 5 EEBDMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])CC2 ZINC000610262785 469996515 /nfs/dbraw/zinc/99/65/15/469996515.db2.gz LNEKVORCVZTJPB-CYBMUJFWSA-N -1 1 333.369 2.264 20 5 EEBDMM CCOCc1ccccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186897871 529070152 /nfs/dbraw/zinc/07/01/52/529070152.db2.gz UBWWHCXZAMBXBG-UHFFFAOYSA-N -1 1 331.328 2.162 20 5 EEBDMM COc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(F)c1 ZINC000768849337 577564095 /nfs/dbraw/zinc/56/40/95/577564095.db2.gz NZIXIVLKLPOLOG-UHFFFAOYSA-N -1 1 346.361 2.283 20 5 EEBDMM CN(C)C(=O)[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000769046814 577567959 /nfs/dbraw/zinc/56/79/59/577567959.db2.gz IHSYVYVHGBIIQX-OAHLLOKOSA-N -1 1 344.323 2.287 20 5 EEBDMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000778556759 1208288955 /nfs/dbraw/zinc/28/89/55/1208288955.db2.gz HBACONKIDXNOHW-UHFFFAOYSA-N -1 1 337.357 2.124 20 5 EEBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccnc1 ZINC000194335609 1211161877 /nfs/dbraw/zinc/16/18/77/1211161877.db2.gz QOTTZCIZMZPJFY-VIFPVBQESA-N -1 1 325.321 2.168 20 5 EEBDMM COC(=O)c1cnc([N-]c2ccc(F)cc2[N+](=O)[O-])c(C(=O)OC)c1 ZINC001210955441 1295597624 /nfs/dbraw/zinc/59/76/24/1295597624.db2.gz HWOSKEIKJWIDAX-UHFFFAOYSA-N -1 1 349.274 2.446 20 5 EEBDMM CC1=C[C@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])CC(=O)O1 ZINC001228862110 1302487918 /nfs/dbraw/zinc/48/79/18/1302487918.db2.gz KPPBWEHZSGXXIF-LURJTMIESA-N -1 1 334.206 2.312 20 5 EEBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@H]1CCOC[C@H]1F ZINC001228860456 1302489398 /nfs/dbraw/zinc/48/93/98/1302489398.db2.gz UVEASFGDTOBGFT-VDTYLAMSSA-N -1 1 326.202 2.220 20 5 EEBDMM CC(C)OCCOCCOCCOc1cc([N+](=O)[O-])ccc1[O-] ZINC001229396422 1302762785 /nfs/dbraw/zinc/76/27/85/1302762785.db2.gz TXGNUFNBDVYMEP-UHFFFAOYSA-N -1 1 329.349 2.137 20 5 EEBDMM Cc1c([N-]S(=O)(=O)CCOCC(F)(F)F)cccc1[N+](=O)[O-] ZINC001117646793 1306138282 /nfs/dbraw/zinc/13/82/82/1306138282.db2.gz QLNIDDURVPHTDK-UHFFFAOYSA-N -1 1 342.295 2.224 20 5 EEBDMM CCCCCn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001604179996 1350885889 /nfs/dbraw/zinc/88/58/89/1350885889.db2.gz XMXFOEJMCQINCI-UHFFFAOYSA-N -1 1 328.332 2.280 20 5 EEBDMM O=C(NC[C@H]1C[C@H]1Cc1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306907886 1331497201 /nfs/dbraw/zinc/49/72/01/1331497201.db2.gz ZCRYSIRDRGIDGM-CHWSQXEVSA-N -1 1 327.340 2.304 20 5 EEBDMM COc1cccc([C@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC001309079549 1331616436 /nfs/dbraw/zinc/61/64/36/1331616436.db2.gz DUJZEZHRQSLPMS-JTQLQIEISA-N -1 1 337.357 2.038 20 5 EEBDMM O=C([O-])C[C@H]1CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001608696505 1351743728 /nfs/dbraw/zinc/74/37/28/1351743728.db2.gz DQZXOZVULGOGFG-GFCCVEGCSA-N -1 1 332.316 2.084 20 5 EEBDMM CN(Cc1cc2ccccc2[nH]1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001319017225 1332637431 /nfs/dbraw/zinc/63/74/31/1332637431.db2.gz UZCYPWFEIDNHBG-UHFFFAOYSA-N -1 1 326.312 2.449 20 5 EEBDMM C[C@H]1C[C@H](CCNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCO1 ZINC001609156423 1351867328 /nfs/dbraw/zinc/86/73/28/1351867328.db2.gz HRRJSWNGMFETSE-WDEREUQCSA-N -1 1 332.364 2.392 20 5 EEBDMM CO[C@H]1C[C@H](N(C)c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C12CCC2 ZINC001609313930 1351929837 /nfs/dbraw/zinc/92/98/37/1351929837.db2.gz XWQWGOLHNBVSAZ-KBPBESRZSA-N -1 1 344.375 2.169 20 5 EEBDMM COc1cc(F)cc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001609346449 1351940627 /nfs/dbraw/zinc/94/06/27/1351940627.db2.gz WMXBEISPTSECOV-UHFFFAOYSA-N -1 1 331.267 2.061 20 5 EEBDMM COc1cc(F)cc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001609346449 1351940629 /nfs/dbraw/zinc/94/06/29/1351940629.db2.gz WMXBEISPTSECOV-UHFFFAOYSA-N -1 1 331.267 2.061 20 5 EEBDMM CCOC(OCC)[C@@H](C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590784455 1349398500 /nfs/dbraw/zinc/39/85/00/1349398500.db2.gz ASYDJCSVAGHNHV-SSDOTTSWSA-N -1 1 342.381 2.036 20 5 EEBDMM CCOC(OCC)[C@@H](C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590784455 1349398505 /nfs/dbraw/zinc/39/85/05/1349398505.db2.gz ASYDJCSVAGHNHV-SSDOTTSWSA-N -1 1 342.381 2.036 20 5 EEBDMM CO[C@H]1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1(C)C ZINC001591357543 1349470851 /nfs/dbraw/zinc/47/08/51/1349470851.db2.gz GEFQCDZGIIFKDK-ZDUSSCGKSA-N -1 1 332.364 2.026 20 5 EEBDMM Cc1cc(NC[C@H]2CCO[C@@H](C)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592044425 1349586885 /nfs/dbraw/zinc/58/68/85/1349586885.db2.gz HVEGXZLIPPSBMK-QWRGUYRKSA-N -1 1 332.364 2.310 20 5 EEBDMM Cc1cc(NC[C@H]2CCO[C@@H](C)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592044425 1349586887 /nfs/dbraw/zinc/58/68/87/1349586887.db2.gz HVEGXZLIPPSBMK-QWRGUYRKSA-N -1 1 332.364 2.310 20 5 EEBDMM Cc1cc(NC[C@H](O)C2CCCCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592042106 1349587134 /nfs/dbraw/zinc/58/71/34/1349587134.db2.gz XRJXNANYXGZNSR-AWEZNQCLSA-N -1 1 346.391 2.436 20 5 EEBDMM Cc1cc(NC[C@H](O)C2CCCCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592042106 1349587136 /nfs/dbraw/zinc/58/71/36/1349587136.db2.gz XRJXNANYXGZNSR-AWEZNQCLSA-N -1 1 346.391 2.436 20 5 EEBDMM Cc1nc(C)c(CNc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)o1 ZINC001592357277 1349624771 /nfs/dbraw/zinc/62/47/71/1349624771.db2.gz IKANTBUEWRBIJM-UHFFFAOYSA-N -1 1 329.320 2.300 20 5 EEBDMM Cc1nc(C)c(CNc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)o1 ZINC001592357277 1349624777 /nfs/dbraw/zinc/62/47/77/1349624777.db2.gz IKANTBUEWRBIJM-UHFFFAOYSA-N -1 1 329.320 2.300 20 5 EEBDMM Cn1nc(C2CC2)cc1CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001592594673 1349665416 /nfs/dbraw/zinc/66/54/16/1349665416.db2.gz YGPZHMHXAWIIFJ-UHFFFAOYSA-N -1 1 346.376 2.059 20 5 EEBDMM Cn1nc(C2CC2)cc1CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001592594673 1349665421 /nfs/dbraw/zinc/66/54/21/1349665421.db2.gz YGPZHMHXAWIIFJ-UHFFFAOYSA-N -1 1 346.376 2.059 20 5 EEBDMM O=[N+]([O-])c1ccc(OCCSc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001593482461 1349814472 /nfs/dbraw/zinc/81/44/72/1349814472.db2.gz UWLZJKYLEZCSJX-UHFFFAOYSA-N -1 1 344.356 2.341 20 5 EEBDMM O=[N+]([O-])c1ccc(OCCSc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001593482461 1349814477 /nfs/dbraw/zinc/81/44/77/1349814477.db2.gz UWLZJKYLEZCSJX-UHFFFAOYSA-N -1 1 344.356 2.341 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1CCO[C@H](C2CC2)C1 ZINC001593488711 1349815899 /nfs/dbraw/zinc/81/58/99/1349815899.db2.gz KOCURJODHMNNBM-SCZZXKLOSA-N -1 1 336.377 2.206 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1CCO[C@H](C2CC2)C1 ZINC001593488711 1349815904 /nfs/dbraw/zinc/81/59/04/1349815904.db2.gz KOCURJODHMNNBM-SCZZXKLOSA-N -1 1 336.377 2.206 20 5 EEBDMM C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001602985419 1350618300 /nfs/dbraw/zinc/61/83/00/1350618300.db2.gz XXEUUESDXLJJRP-UUKWBXHYSA-N -1 1 345.355 2.304 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CC2CCC1CC2 ZINC001607077320 1351407173 /nfs/dbraw/zinc/40/71/73/1351407173.db2.gz PXIGBUWMIOQKBY-ILDUYXDCSA-N -1 1 329.364 2.408 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CC2CCC1CC2 ZINC001607077320 1351407174 /nfs/dbraw/zinc/40/71/74/1351407174.db2.gz PXIGBUWMIOQKBY-ILDUYXDCSA-N -1 1 329.364 2.408 20 5 EEBDMM O=[N+]([O-])c1ccc(NCCc2ccccc2O)cc1-c1nnn[n-]1 ZINC001607082623 1351410362 /nfs/dbraw/zinc/41/03/62/1351410362.db2.gz UMSVMLORJPRQBG-UHFFFAOYSA-N -1 1 326.316 2.135 20 5 EEBDMM O=[N+]([O-])c1ccc(NCCc2ccccc2O)cc1-c1nn[n-]n1 ZINC001607082623 1351410363 /nfs/dbraw/zinc/41/03/63/1351410363.db2.gz UMSVMLORJPRQBG-UHFFFAOYSA-N -1 1 326.316 2.135 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC(Cc2ccco2)C1 ZINC001607085740 1351412016 /nfs/dbraw/zinc/41/20/16/1351412016.db2.gz LWDRBMKISOQJCA-UHFFFAOYSA-N -1 1 332.345 2.108 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC(Cc2ccco2)C1 ZINC001607085740 1351412018 /nfs/dbraw/zinc/41/20/18/1351412018.db2.gz LWDRBMKISOQJCA-UHFFFAOYSA-N -1 1 332.345 2.108 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC(Cc2ccoc2)C1 ZINC001607086166 1351412665 /nfs/dbraw/zinc/41/26/65/1351412665.db2.gz VBTSONMXGAYTOM-UHFFFAOYSA-N -1 1 332.345 2.108 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC(Cc2ccoc2)C1 ZINC001607086166 1351412666 /nfs/dbraw/zinc/41/26/66/1351412666.db2.gz VBTSONMXGAYTOM-UHFFFAOYSA-N -1 1 332.345 2.108 20 5 EEBDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001591894826 1403969397 /nfs/dbraw/zinc/96/93/97/1403969397.db2.gz YNSDHRPBVVKIQX-SECBINFHSA-N -1 1 340.347 2.089 20 5 EEBDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001591894826 1403969400 /nfs/dbraw/zinc/96/94/00/1403969400.db2.gz YNSDHRPBVVKIQX-SECBINFHSA-N -1 1 340.347 2.089 20 5 EEBDMM Cc1ccc([C@@H](O)CNc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)o1 ZINC001592138019 1404006043 /nfs/dbraw/zinc/00/60/43/1404006043.db2.gz SLLJWEGNYYASCT-LBPRGKRZSA-N -1 1 344.331 2.130 20 5 EEBDMM Cc1ccc([C@@H](O)CNc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)o1 ZINC001592138019 1404006050 /nfs/dbraw/zinc/00/60/50/1404006050.db2.gz SLLJWEGNYYASCT-LBPRGKRZSA-N -1 1 344.331 2.130 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCC=CO1 ZINC000780899739 761422129 /nfs/dbraw/zinc/42/21/29/761422129.db2.gz RMQONCMETXDMLX-VIFPVBQESA-N -1 1 332.765 2.219 20 5 EEBDMM CC[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCOC1 ZINC000790930193 808983268 /nfs/dbraw/zinc/98/32/68/808983268.db2.gz BIYUTWCRHRMISC-GFCCVEGCSA-N -1 1 334.781 2.096 20 5 EEBDMM CC[C@@]1(C(=O)[O-])CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001589604863 949234035 /nfs/dbraw/zinc/23/40/35/949234035.db2.gz IZIBEORRDVQCRU-SJKOYZFVSA-N -1 1 349.387 2.499 20 5 EEBDMM O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000023387613 212374179 /nfs/dbraw/zinc/37/41/79/212374179.db2.gz ICRMFHGCJFNKAS-YUMQZZPRSA-N -1 1 333.266 2.134 20 5 EEBDMM O=C(NCC1(Cc2ccccc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193739452 240290158 /nfs/dbraw/zinc/29/01/58/240290158.db2.gz GQEJRKODFPAADV-UHFFFAOYSA-N -1 1 327.340 2.448 20 5 EEBDMM O=C(N[C@H]1CCCOc2c(F)cccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000351839100 284176559 /nfs/dbraw/zinc/17/65/59/284176559.db2.gz APYQQJSHHRBYGZ-ZDUSSCGKSA-N -1 1 347.302 2.478 20 5 EEBDMM Cn1c(CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)n[n-]c1=S ZINC000078651019 217095658 /nfs/dbraw/zinc/09/56/58/217095658.db2.gz FULOSDUJKDJTAD-UHFFFAOYSA-N -1 1 341.780 2.012 20 5 EEBDMM Cc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cccc1N1CCOC1=O ZINC000492026709 246263589 /nfs/dbraw/zinc/26/35/89/246263589.db2.gz UUVWADBABBLKBT-UHFFFAOYSA-N -1 1 330.300 2.440 20 5 EEBDMM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000273445623 256297210 /nfs/dbraw/zinc/29/72/10/256297210.db2.gz CDBKKJDNKBVHMA-QWRGUYRKSA-N -1 1 346.380 2.217 20 5 EEBDMM CN(C)Cc1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1F ZINC000119413626 292244906 /nfs/dbraw/zinc/24/49/06/292244906.db2.gz PCTZZFOFDSPJDB-UHFFFAOYSA-N -1 1 347.346 2.431 20 5 EEBDMM O=C(NC1CCN(c2cccs2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193688408 160185106 /nfs/dbraw/zinc/18/51/06/160185106.db2.gz XEKSUXOPRWGVSQ-UHFFFAOYSA-N -1 1 348.384 2.156 20 5 EEBDMM Cn1cc(C(=O)Nc2ncccc2[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000341903842 161022922 /nfs/dbraw/zinc/02/29/22/161022922.db2.gz TWTSIQUGVDZACO-UHFFFAOYSA-N -1 1 339.311 2.348 20 5 EEBDMM COC(=O)c1cc([N-]S(=O)(=O)CCCCF)c(C)c([N+](=O)[O-])c1 ZINC000288502739 275064825 /nfs/dbraw/zinc/06/48/25/275064825.db2.gz FEZLHGBBSKSMGX-UHFFFAOYSA-N -1 1 348.352 2.181 20 5 EEBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CS1 ZINC000416582683 313264631 /nfs/dbraw/zinc/26/46/31/313264631.db2.gz GUJDTVMQJJGZQB-SFYZADRCSA-N -1 1 336.822 2.421 20 5 EEBDMM O=C(Nc1n[nH]cc1-c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])[n-]1 ZINC000437074881 315025124 /nfs/dbraw/zinc/02/51/24/315025124.db2.gz KGMBKMRUSBLCFG-UHFFFAOYSA-N -1 1 341.283 2.294 20 5 EEBDMM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC000521464414 316916662 /nfs/dbraw/zinc/91/66/62/316916662.db2.gz VTODDCIBAJKSKO-LLVKDONJSA-N -1 1 345.359 2.283 20 5 EEBDMM CCOc1cc(CN2CCSC[C@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000574763280 320055044 /nfs/dbraw/zinc/05/50/44/320055044.db2.gz PZAVMWQOJFPLQY-GFCCVEGCSA-N -1 1 340.401 2.386 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1O ZINC000121299971 463112509 /nfs/dbraw/zinc/11/25/09/463112509.db2.gz GSPCHYHKOXKGKI-JOYOIKCWSA-N -1 1 348.808 2.078 20 5 EEBDMM O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000263934281 464244586 /nfs/dbraw/zinc/24/45/86/464244586.db2.gz IEIMZJBNEWBYHY-UHFFFAOYSA-N -1 1 334.307 2.151 20 5 EEBDMM COCCN(C[C@H]1CC=CCC1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361436162 465995281 /nfs/dbraw/zinc/99/52/81/465995281.db2.gz ZBCASWSVHFHYTH-LBPRGKRZSA-N -1 1 335.360 2.140 20 5 EEBDMM Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000350730989 466590517 /nfs/dbraw/zinc/59/05/17/466590517.db2.gz XJWPQTUYBSFUPR-UHFFFAOYSA-N -1 1 336.325 2.402 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCO[C@H]1C1CC1 ZINC000378323780 467264507 /nfs/dbraw/zinc/26/45/07/467264507.db2.gz OCPREZYQBKZQLW-PWSUYJOCSA-N -1 1 346.792 2.094 20 5 EEBDMM CCC(O)(CC)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000160213766 528975407 /nfs/dbraw/zinc/97/54/07/528975407.db2.gz CZBNUPSKQNSNTM-UHFFFAOYSA-N -1 1 336.797 2.078 20 5 EEBDMM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000774797518 577418652 /nfs/dbraw/zinc/41/86/52/577418652.db2.gz JNJMWUBZTCMEIB-CABZTGNLSA-N -1 1 348.808 2.342 20 5 EEBDMM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@H](C)C(=O)[O-] ZINC000736571230 578212275 /nfs/dbraw/zinc/21/22/75/578212275.db2.gz JITCUPIQWYXDNA-VHSXEESVSA-N -1 1 334.332 2.358 20 5 EEBDMM C[C@H]1CN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C[C@@H]1C(=O)[O-] ZINC000828461564 601815427 /nfs/dbraw/zinc/81/54/27/601815427.db2.gz AIRWBGDRZIOKHV-WPRPVWTQSA-N -1 1 337.357 2.482 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccncc1 ZINC000159548728 1208477237 /nfs/dbraw/zinc/47/72/37/1208477237.db2.gz UFRGXCWFUOIDIK-UHFFFAOYSA-N -1 1 327.749 2.122 20 5 EEBDMM COCC1(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CCC1 ZINC000867230041 1284464929 /nfs/dbraw/zinc/46/49/29/1284464929.db2.gz JGUUVKFKAIKXBZ-UHFFFAOYSA-N -1 1 346.380 2.137 20 5 EEBDMM O=[N+]([O-])c1ccc([C@H](OCC[P@@](=O)([O-])O)C(F)(F)F)cc1 ZINC001224603491 1300665319 /nfs/dbraw/zinc/66/53/19/1300665319.db2.gz YYWSSDVAGXCUPN-VIFPVBQESA-N -1 1 329.167 2.393 20 5 EEBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)c1ccncc1 ZINC001226307139 1301345467 /nfs/dbraw/zinc/34/54/67/1301345467.db2.gz FUHPJDOOVMZCAU-VIFPVBQESA-N -1 1 333.300 2.407 20 5 EEBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C)CC(C)(C)OC ZINC001226328527 1301360516 /nfs/dbraw/zinc/36/05/16/1301360516.db2.gz XBLDOYJZUWQSGL-SECBINFHSA-N -1 1 342.348 2.455 20 5 EEBDMM CCOC(=O)[C@@H](CCc1ccccc1)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228144528 1302124721 /nfs/dbraw/zinc/12/47/21/1302124721.db2.gz VJGSTLJQZPEVDO-GFCCVEGCSA-N -1 1 347.327 2.034 20 5 EEBDMM COCC(COC)Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234744063 1305017718 /nfs/dbraw/zinc/01/77/18/1305017718.db2.gz JRBKAGQCWJSFQA-UHFFFAOYSA-N -1 1 346.335 2.398 20 5 EEBDMM O=[N+]([O-])c1cc(Cl)ccc1CC[N-]S(=O)(=O)c1ccns1 ZINC001309355243 1331626911 /nfs/dbraw/zinc/62/69/11/1331626911.db2.gz ZCCTVXOCGKLGPL-UHFFFAOYSA-N -1 1 347.805 2.226 20 5 EEBDMM CC(C)(C)n1cc(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC001609082397 1351834235 /nfs/dbraw/zinc/83/42/35/1351834235.db2.gz ADKMBFGMVNDPTA-UHFFFAOYSA-N -1 1 328.336 2.470 20 5 EEBDMM CC(C)(C)n1cc(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC001609082397 1351834236 /nfs/dbraw/zinc/83/42/36/1351834236.db2.gz ADKMBFGMVNDPTA-UHFFFAOYSA-N -1 1 328.336 2.470 20 5 EEBDMM Cc1ccsc1CCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609440188 1351978261 /nfs/dbraw/zinc/97/82/61/1351978261.db2.gz FECWGDNINAVDJL-UHFFFAOYSA-N -1 1 345.388 2.382 20 5 EEBDMM Cc1ccsc1CCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609440188 1351978263 /nfs/dbraw/zinc/97/82/63/1351978263.db2.gz FECWGDNINAVDJL-UHFFFAOYSA-N -1 1 345.388 2.382 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001609599462 1352030042 /nfs/dbraw/zinc/03/00/42/1352030042.db2.gz FCENYSRWNCUVFL-WDEREUQCSA-N -1 1 329.364 2.186 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001609599462 1352030043 /nfs/dbraw/zinc/03/00/43/1352030043.db2.gz FCENYSRWNCUVFL-WDEREUQCSA-N -1 1 329.364 2.186 20 5 EEBDMM C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001609637628 1352047453 /nfs/dbraw/zinc/04/74/53/1352047453.db2.gz DNXIDPHOSOZOAV-MEDUHNTESA-N -1 1 335.360 2.109 20 5 EEBDMM CCN(CCNC(=O)c1ncccc1[O-])c1ccc(F)cc1[N+](=O)[O-] ZINC001100515620 1338464782 /nfs/dbraw/zinc/46/47/82/1338464782.db2.gz YAGXRAPIXYGLSO-UHFFFAOYSA-N -1 1 348.334 2.091 20 5 EEBDMM CC(C)Oc1nc(Oc2cccnc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001574342083 1343674259 /nfs/dbraw/zinc/67/42/59/1343674259.db2.gz ISHPCJKPZFFHMQ-UHFFFAOYSA-N -1 1 343.303 2.144 20 5 EEBDMM CC(C)Oc1nc(Oc2cccnc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001574342083 1343674279 /nfs/dbraw/zinc/67/42/79/1343674279.db2.gz ISHPCJKPZFFHMQ-UHFFFAOYSA-N -1 1 343.303 2.144 20 5 EEBDMM COCCC1(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCC1 ZINC001591401007 1349481490 /nfs/dbraw/zinc/48/14/90/1349481490.db2.gz LOYVRPZKODJLIO-UHFFFAOYSA-N -1 1 332.364 2.394 20 5 EEBDMM Cc1cccc(C)c1OCCCn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001592228028 1349612066 /nfs/dbraw/zinc/61/20/66/1349612066.db2.gz NWXXFTIHOMRNOJ-UHFFFAOYSA-N -1 1 343.347 2.057 20 5 EEBDMM O=[N+]([O-])c1c(NCC2(Br)CC2)cccc1-c1nnn[n-]1 ZINC001593466356 1349804039 /nfs/dbraw/zinc/80/40/39/1349804039.db2.gz ZLCJJNAFGCTVJT-UHFFFAOYSA-N -1 1 339.153 2.114 20 5 EEBDMM O=[N+]([O-])c1c(NCC2(Br)CC2)cccc1-c1nn[n-]n1 ZINC001593466356 1349804043 /nfs/dbraw/zinc/80/40/43/1349804043.db2.gz ZLCJJNAFGCTVJT-UHFFFAOYSA-N -1 1 339.153 2.114 20 5 EEBDMM O=[N+]([O-])c1ccc(NCCOCc2ccccc2)cc1-c1nnn[n-]1 ZINC001593478394 1349810951 /nfs/dbraw/zinc/81/09/51/1349810951.db2.gz DYPPLKZVLATRBP-UHFFFAOYSA-N -1 1 340.343 2.404 20 5 EEBDMM O=[N+]([O-])c1ccc(NCCOCc2ccccc2)cc1-c1nn[n-]n1 ZINC001593478394 1349810961 /nfs/dbraw/zinc/81/09/61/1349810961.db2.gz DYPPLKZVLATRBP-UHFFFAOYSA-N -1 1 340.343 2.404 20 5 EEBDMM O=[N+]([O-])c1ccc(NCCSCC(F)(F)F)cc1-c1nnn[n-]1 ZINC001593478369 1349810988 /nfs/dbraw/zinc/81/09/88/1349810988.db2.gz DDPGRJAYZCPHDW-UHFFFAOYSA-N -1 1 348.310 2.482 20 5 EEBDMM O=[N+]([O-])c1ccc(NCCSCC(F)(F)F)cc1-c1nn[n-]n1 ZINC001593478369 1349810999 /nfs/dbraw/zinc/81/09/99/1349810999.db2.gz DDPGRJAYZCPHDW-UHFFFAOYSA-N -1 1 348.310 2.482 20 5 EEBDMM O=[N+]([O-])c1cn(Cc2cc(Cl)cc(Cl)c2)nc1-c1nn[n-]n1 ZINC001593486644 1349815102 /nfs/dbraw/zinc/81/51/02/1349815102.db2.gz DURONNJMRRELTA-UHFFFAOYSA-N -1 1 340.130 2.327 20 5 EEBDMM CC(C)(C)C(F)(F)CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603061240 1350629625 /nfs/dbraw/zinc/62/96/25/1350629625.db2.gz WPFDPNAFRCEVPC-UHFFFAOYSA-N -1 1 341.322 2.450 20 5 EEBDMM CC(C)(C)C(F)(F)CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603061240 1350629632 /nfs/dbraw/zinc/62/96/32/1350629632.db2.gz WPFDPNAFRCEVPC-UHFFFAOYSA-N -1 1 341.322 2.450 20 5 EEBDMM CC(C)CC[C@](C)(O)CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603277113 1350678599 /nfs/dbraw/zinc/67/85/99/1350678599.db2.gz FCKRPDVKAALOGP-ZDUSSCGKSA-N -1 1 340.409 2.436 20 5 EEBDMM CC(C)CC[C@](C)(O)CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603277113 1350678603 /nfs/dbraw/zinc/67/86/03/1350678603.db2.gz FCKRPDVKAALOGP-ZDUSSCGKSA-N -1 1 340.409 2.436 20 5 EEBDMM C[C@@H](C[C@@H](O)c1ccco1)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603462821 1350709122 /nfs/dbraw/zinc/70/91/22/1350709122.db2.gz AXRHHCUZTOZOKZ-TVQRCGJNSA-N -1 1 344.331 2.292 20 5 EEBDMM CCSc1ccccc1Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001604484384 1350947932 /nfs/dbraw/zinc/94/79/32/1350947932.db2.gz OXMVPPPKJZFOOQ-UHFFFAOYSA-N -1 1 331.361 2.132 20 5 EEBDMM CO[C@H]1CCC[C@H]1CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001605030682 1351060991 /nfs/dbraw/zinc/06/09/91/1351060991.db2.gz OHXGJNHIGBLNTF-GWCFXTLKSA-N -1 1 332.364 2.310 20 5 EEBDMM CO[C@H]1CCC[C@H]1CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001605030682 1351060996 /nfs/dbraw/zinc/06/09/96/1351060996.db2.gz OHXGJNHIGBLNTF-GWCFXTLKSA-N -1 1 332.364 2.310 20 5 EEBDMM COCC1(CCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCC1 ZINC001605065970 1351070769 /nfs/dbraw/zinc/07/07/69/1351070769.db2.gz CFIMSNNUBZDXMT-UHFFFAOYSA-N -1 1 332.364 2.394 20 5 EEBDMM COCC1(CCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCC1 ZINC001605065970 1351070773 /nfs/dbraw/zinc/07/07/73/1351070773.db2.gz CFIMSNNUBZDXMT-UHFFFAOYSA-N -1 1 332.364 2.394 20 5 EEBDMM CO[C@H]1CC[C@H](C)N(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001606728245 1351347885 /nfs/dbraw/zinc/34/78/85/1351347885.db2.gz ASGARWJRUKYTOE-AAEUAGOBSA-N -1 1 338.360 2.058 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCC1CC(F)(F)C1 ZINC001607077392 1351407158 /nfs/dbraw/zinc/40/71/58/1351407158.db2.gz SLJOTMXWFDISPP-UHFFFAOYSA-N -1 1 325.279 2.017 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCC1CC(F)(F)C1 ZINC001607077392 1351407159 /nfs/dbraw/zinc/40/71/59/1351407159.db2.gz SLJOTMXWFDISPP-UHFFFAOYSA-N -1 1 325.279 2.017 20 5 EEBDMM O=[N+]([O-])c1c(NCc2ccnc(Cl)c2)cccc1-c1nnn[n-]1 ZINC001607078139 1351407944 /nfs/dbraw/zinc/40/79/44/1351407944.db2.gz LMXAGJZVHSXZHM-UHFFFAOYSA-N -1 1 331.723 2.435 20 5 EEBDMM O=[N+]([O-])c1c(NCc2ccnc(Cl)c2)cccc1-c1nn[n-]n1 ZINC001607078139 1351407948 /nfs/dbraw/zinc/40/79/48/1351407948.db2.gz 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Cc1ccc(CN(C)c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])nc1 ZINC001592152564 1404009328 /nfs/dbraw/zinc/00/93/28/1404009328.db2.gz SPIACMIMYAFQEZ-UHFFFAOYSA-N -1 1 325.332 2.115 20 5 EEBDMM C[C@H]1CC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000162905760 803115622 /nfs/dbraw/zinc/11/56/22/803115622.db2.gz ATJGGFBIKGHXMY-IUCAKERBSA-N -1 1 348.808 2.483 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCSC1 ZINC000790450425 808720144 /nfs/dbraw/zinc/72/01/44/808720144.db2.gz PBIXMSDOPYYZLE-MRVPVSSYSA-N -1 1 336.822 2.280 20 5 EEBDMM Cn1[n-]cc2c(=NC(=O)c3c(Cl)cccc3[N+](=O)[O-])ccnc1-2 ZINC000791288341 809175281 /nfs/dbraw/zinc/17/52/81/809175281.db2.gz ZTNMZRLYAFCOJI-UHFFFAOYSA-N -1 1 331.719 2.156 20 5 EEBDMM COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC(C)(C(=O)[O-])CC2)c1 ZINC001593887254 955760556 /nfs/dbraw/zinc/76/05/56/955760556.db2.gz OPHNHFRXOFWAOF-UHFFFAOYSA-N -1 1 336.344 2.068 20 5 EEBDMM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCCC(=O)[O-] ZINC001588560609 959095414 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1349816485 /nfs/dbraw/zinc/81/64/85/1349816485.db2.gz IMMVEOCSQBIHRL-UHFFFAOYSA-N -1 1 343.372 2.400 20 5 EEBDMM O=C([O-])COc1ccc(CN[C@@H]2CCCC[C@@H]2F)cc1[N+](=O)[O-] ZINC001602085158 1350433341 /nfs/dbraw/zinc/43/33/41/1350433341.db2.gz YJZPFWYTQZYSQK-NWDGAFQWSA-N -1 1 326.324 2.429 20 5 EEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN(CCO)CCc2ccccc2)c1 ZINC001602404725 1350511952 /nfs/dbraw/zinc/51/19/52/1350511952.db2.gz CSOZXLRQISDARA-UHFFFAOYSA-N -1 1 344.367 2.330 20 5 EEBDMM CN(Cc1cccc(O)c1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604816283 1351014363 /nfs/dbraw/zinc/01/43/63/1351014363.db2.gz YIFPPEITDXBOCB-UHFFFAOYSA-N -1 1 326.316 2.117 20 5 EEBDMM O=[N+]([O-])c1c(NCCSC(F)(F)F)cccc1-c1nnn[n-]1 ZINC001607078332 1351407727 /nfs/dbraw/zinc/40/77/27/1351407727.db2.gz VEHGZHQGSPTOOW-UHFFFAOYSA-N -1 1 334.283 2.440 20 5 EEBDMM O=[N+]([O-])c1c(NCCSC(F)(F)F)cccc1-c1nn[n-]n1 ZINC001607078332 1351407731 /nfs/dbraw/zinc/40/77/31/1351407731.db2.gz VEHGZHQGSPTOOW-UHFFFAOYSA-N -1 1 334.283 2.440 20 5 EEBDMM O=[N+]([O-])c1c(Nc2cnn(-c3ccccn3)c2)cccc1-c1nnn[n-]1 ZINC001607078271 1351408072 /nfs/dbraw/zinc/40/80/72/1351408072.db2.gz RUPCDPZGHIUCFT-UHFFFAOYSA-N -1 1 349.314 2.099 20 5 EEBDMM O=[N+]([O-])c1c(Nc2cnn(-c3ccccn3)c2)cccc1-c1nn[n-]n1 ZINC001607078271 1351408074 /nfs/dbraw/zinc/40/80/74/1351408074.db2.gz RUPCDPZGHIUCFT-UHFFFAOYSA-N -1 1 349.314 2.099 20 5 EEBDMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc([N+](=O)[O-])o1 ZINC000028630848 787584277 /nfs/dbraw/zinc/58/42/77/787584277.db2.gz RFQDGXFZYUTEPW-UHFFFAOYSA-N -1 1 331.236 2.357 20 5 EEBDMM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1(C)C ZINC000173835814 791915492 /nfs/dbraw/zinc/91/54/92/791915492.db2.gz JSZGVGRLSPLBPT-RISCZKNCSA-N -1 1 346.380 2.216 20 5 EEBDMM O=C(NCCCNc1ccc(F)cc1[N+](=O)[O-])c1ncccc1[O-] ZINC001094375645 796183843 /nfs/dbraw/zinc/18/38/43/796183843.db2.gz JCCHSQQOHNMAGU-UHFFFAOYSA-N -1 1 334.307 2.067 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCOC(C)(C)C2)cc1F ZINC000867009615 804102645 /nfs/dbraw/zinc/10/26/45/804102645.db2.gz YUJOFKJRBIOFDM-JTQLQIEISA-N -1 1 346.380 2.278 20 5 EEBDMM O=C(N[C@H]1CCOc2c(F)cccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000191421362 284213116 /nfs/dbraw/zinc/21/31/16/284213116.db2.gz XSSIHBJSXWIXDX-LBPRGKRZSA-N -1 1 333.275 2.088 20 5 EEBDMM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000271270161 256227923 /nfs/dbraw/zinc/22/79/23/256227923.db2.gz NGMDQMVRAMZDTI-UWVGGRQHSA-N -1 1 348.808 2.342 20 5 EEBDMM Cc1ccc2c(CCNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)c[nH]c2c1 ZINC000356261879 163384116 /nfs/dbraw/zinc/38/41/16/163384116.db2.gz XIQLYRYVTUGTIF-UHFFFAOYSA-N -1 1 340.339 2.458 20 5 EEBDMM CCCCCN(CCCOC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278150161 274338219 /nfs/dbraw/zinc/33/82/19/274338219.db2.gz WWEYQTGSVBFPHQ-UHFFFAOYSA-N -1 1 325.365 2.364 20 5 EEBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)C(F)(F)F ZINC000288622507 275076964 /nfs/dbraw/zinc/07/69/64/275076964.db2.gz MORIXCGTRUNDDN-LURJTMIESA-N -1 1 330.259 2.271 20 5 EEBDMM COc1cccc(C2(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)c1 ZINC000291308611 275292736 /nfs/dbraw/zinc/29/27/36/275292736.db2.gz SZTFWUNZUHOGAK-UHFFFAOYSA-N -1 1 343.339 2.166 20 5 EEBDMM COCC1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000284029813 293018976 /nfs/dbraw/zinc/01/89/76/293018976.db2.gz QZAUINMIGOBXNK-UHFFFAOYSA-N -1 1 334.781 2.096 20 5 EEBDMM Cc1cccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1[N+](=O)[O-] ZINC000339192197 465132230 /nfs/dbraw/zinc/13/22/30/465132230.db2.gz AFWOVEXAJIYEMN-UHFFFAOYSA-N -1 1 332.316 2.012 20 5 EEBDMM CCS[C@H]1CCCC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185808009 463882619 /nfs/dbraw/zinc/88/26/19/463882619.db2.gz VBLIONBDWVCIJP-PWSUYJOCSA-N -1 1 325.390 2.490 20 5 EEBDMM CCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000195682018 464081737 /nfs/dbraw/zinc/08/17/37/464081737.db2.gz CZIJTZLMXCGGOP-UHFFFAOYSA-N -1 1 331.328 2.414 20 5 EEBDMM CCC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000269762150 464084454 /nfs/dbraw/zinc/08/44/54/464084454.db2.gz KAKXYDKSFZXYIG-LBPRGKRZSA-N -1 1 336.797 2.078 20 5 EEBDMM CC(C)c1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000190706067 464705771 /nfs/dbraw/zinc/70/57/71/464705771.db2.gz ITCAMFOVLWASIV-JTQLQIEISA-N -1 1 332.364 2.107 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCSC1 ZINC000267216224 464922821 /nfs/dbraw/zinc/92/28/21/464922821.db2.gz RSRBPLSPXBHEGT-MRVPVSSYSA-N -1 1 336.822 2.422 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1C1CC1 ZINC000591331421 468449684 /nfs/dbraw/zinc/44/96/84/468449684.db2.gz AAOGKXHSBCNCCP-VXGBXAGGSA-N -1 1 325.390 2.094 20 5 EEBDMM Cc1cccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1[N+](=O)[O-] ZINC000332391542 466538941 /nfs/dbraw/zinc/53/89/41/466538941.db2.gz ZRNBOUFNMFGTBG-SNVBAGLBSA-N -1 1 332.316 2.012 20 5 EEBDMM O=C(Nc1ccc(F)c(N2CCCNC2=O)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000489318519 468127380 /nfs/dbraw/zinc/12/73/80/468127380.db2.gz OWYDRZUGYYKVPT-UHFFFAOYSA-N -1 1 347.306 2.234 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CCCC(F)(F)C1 ZINC000548775026 468134072 /nfs/dbraw/zinc/13/40/72/468134072.db2.gz BLPRIRUHPCWFJD-SECBINFHSA-N -1 1 335.332 2.094 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000597605263 468614685 /nfs/dbraw/zinc/61/46/85/468614685.db2.gz UKJHVIIWEBSNJO-GZBFAFLISA-N -1 1 349.387 2.241 20 5 EEBDMM O=[N+]([O-])c1ccccc1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000738368629 578011099 /nfs/dbraw/zinc/01/10/99/578011099.db2.gz GJOULHHFVJWBIW-UHFFFAOYSA-N -1 1 348.326 2.330 20 5 EEBDMM O=[N+]([O-])c1ccccc1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000738368629 578011100 /nfs/dbraw/zinc/01/11/00/578011100.db2.gz GJOULHHFVJWBIW-UHFFFAOYSA-N -1 1 348.326 2.330 20 5 EEBDMM O=C(OCc1nccn1CC(F)(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769045773 577567976 /nfs/dbraw/zinc/56/79/76/577567976.db2.gz IJACROUBWFUQIG-UHFFFAOYSA-N -1 1 345.233 2.416 20 5 EEBDMM CC(C)Oc1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000770244825 577592977 /nfs/dbraw/zinc/59/29/77/577592977.db2.gz IESYJGUSERBNQR-UHFFFAOYSA-N -1 1 331.328 2.413 20 5 EEBDMM O=[N+]([O-])c1ccc(-c2cnn(Cc3ccnc(-c4nnn[n-]4)c3)c2)cc1 ZINC000826498235 607546840 /nfs/dbraw/zinc/54/68/40/607546840.db2.gz MIZBCZNNMRYMFQ-UHFFFAOYSA-N -1 1 348.326 2.082 20 5 EEBDMM O=[N+]([O-])c1ccc(-c2cnn(Cc3ccnc(-c4nn[n-]n4)c3)c2)cc1 ZINC000826498235 607546841 /nfs/dbraw/zinc/54/68/41/607546841.db2.gz MIZBCZNNMRYMFQ-UHFFFAOYSA-N -1 1 348.326 2.082 20 5 EEBDMM Cc1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cc1[N+](=O)[O-] ZINC000826283612 608429734 /nfs/dbraw/zinc/42/97/34/608429734.db2.gz VYFGAPUAJKHFHL-VIFPVBQESA-N -1 1 326.320 2.046 20 5 EEBDMM Cc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cc1[N+](=O)[O-] ZINC000826283612 608429736 /nfs/dbraw/zinc/42/97/36/608429736.db2.gz VYFGAPUAJKHFHL-VIFPVBQESA-N -1 1 326.320 2.046 20 5 EEBDMM O=C(N[C@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1)c1ncccc1[O-] ZINC001059196725 683179186 /nfs/dbraw/zinc/17/91/86/683179186.db2.gz DBIXWZIHGUSIOM-MGCOHNPYSA-N -1 1 346.318 2.207 20 5 EEBDMM CS(=O)(=O)c1ccc(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)o1 ZINC000813244037 1201181435 /nfs/dbraw/zinc/18/14/35/1201181435.db2.gz KTMBVDKEUNIOFH-UHFFFAOYSA-N -1 1 344.732 2.497 20 5 EEBDMM CCC[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])OCC ZINC000859257970 1294365744 /nfs/dbraw/zinc/36/57/44/1294365744.db2.gz OYXLMCOKSYTVGD-SNVBAGLBSA-N -1 1 334.369 2.217 20 5 EEBDMM C[C@@H]1[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001225664342 1301116166 /nfs/dbraw/zinc/11/61/66/1301116166.db2.gz NIJGLVIZLOORIX-PSASIEDQSA-N -1 1 325.321 2.082 20 5 EEBDMM O=c1ncc([N+](=O)[O-])c(O[C@H]2CCCN(Cc3ccccc3F)C2)[n-]1 ZINC001226335097 1301362507 /nfs/dbraw/zinc/36/25/07/1301362507.db2.gz CSKOWAOHVCUHCO-LBPRGKRZSA-N -1 1 348.334 2.273 20 5 EEBDMM O=c1c2cc(OC[C@H]3COCCO3)c([O-])cc2oc2cccc(O)c12 ZINC001227307676 1301774632 /nfs/dbraw/zinc/77/46/32/1301774632.db2.gz YGBQJZHRRODOBE-SNVBAGLBSA-N -1 1 344.319 2.152 20 5 EEBDMM CO[C@H](C)COc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234125616 1304752922 /nfs/dbraw/zinc/75/29/22/1304752922.db2.gz UJJSCXBSEXIVCM-MRVPVSSYSA-N -1 1 332.308 2.477 20 5 EEBDMM COc1c(O)ccc2c(=O)c3c(OC4COC4)cc([O-])cc3oc21 ZINC001234750330 1305018435 /nfs/dbraw/zinc/01/84/35/1305018435.db2.gz XQDVMPCSKYVPOW-UHFFFAOYSA-N -1 1 330.292 2.144 20 5 EEBDMM C[C@@H]1CN(CCc2nnc(-c3cccc([N+](=O)[O-])c3[O-])o2)C[C@@H](C)O1 ZINC001258145938 1319189166 /nfs/dbraw/zinc/18/91/66/1319189166.db2.gz KELASJWORKIJNX-GHMZBOCLSA-N -1 1 348.359 2.002 20 5 EEBDMM C[C@@H](CCO)C1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCC1 ZINC001609111005 1351847492 /nfs/dbraw/zinc/84/74/92/1351847492.db2.gz CUJKIPPKPVQGJE-NSHDSACASA-N -1 1 346.391 2.376 20 5 EEBDMM C[C@@H](CCO)C1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCC1 ZINC001609111005 1351847496 /nfs/dbraw/zinc/84/74/96/1351847496.db2.gz CUJKIPPKPVQGJE-NSHDSACASA-N -1 1 346.391 2.376 20 5 EEBDMM CC[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H](CC)O1 ZINC001609203118 1351889812 /nfs/dbraw/zinc/88/98/12/1351889812.db2.gz YKZSQXGRYKKJAJ-RYUDHWBXSA-N -1 1 332.364 2.169 20 5 EEBDMM CC[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@H](CC)O1 ZINC001609203118 1351889816 /nfs/dbraw/zinc/88/98/16/1351889816.db2.gz YKZSQXGRYKKJAJ-RYUDHWBXSA-N -1 1 332.364 2.169 20 5 EEBDMM CCN(CCNC(=O)c1ncccc1[O-])c1ccc([N+](=O)[O-])c(C)c1 ZINC001100515192 1338463295 /nfs/dbraw/zinc/46/32/95/1338463295.db2.gz GBIVOHPATPHULS-UHFFFAOYSA-N -1 1 344.371 2.260 20 5 EEBDMM CC[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC001590472573 1349346210 /nfs/dbraw/zinc/34/62/10/1349346210.db2.gz UJLPSJQSUSWKMA-RKDXNWHRSA-N -1 1 338.393 2.454 20 5 EEBDMM CC[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC001590472573 1349346213 /nfs/dbraw/zinc/34/62/13/1349346213.db2.gz UJLPSJQSUSWKMA-RKDXNWHRSA-N -1 1 338.393 2.454 20 5 EEBDMM CCc1nc(Oc2cccc([N+](=O)[O-])c2C)cc(-c2nnn[n-]2)n1 ZINC001590924993 1349414007 /nfs/dbraw/zinc/41/40/07/1349414007.db2.gz HYQKEGKNQUCKEN-UHFFFAOYSA-N -1 1 327.304 2.228 20 5 EEBDMM CCc1nc(Oc2cccc([N+](=O)[O-])c2C)cc(-c2nn[n-]n2)n1 ZINC001590924993 1349414011 /nfs/dbraw/zinc/41/40/11/1349414011.db2.gz HYQKEGKNQUCKEN-UHFFFAOYSA-N -1 1 327.304 2.228 20 5 EEBDMM Nc1cc(NCCCc2cccs2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759910 1349713461 /nfs/dbraw/zinc/71/34/61/1349713461.db2.gz KWSAJKMEIWUYRL-UHFFFAOYSA-N -1 1 345.388 2.463 20 5 EEBDMM Nc1cc(NCCCc2cccs2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759910 1349713464 /nfs/dbraw/zinc/71/34/64/1349713464.db2.gz KWSAJKMEIWUYRL-UHFFFAOYSA-N -1 1 345.388 2.463 20 5 EEBDMM O=[N+]([O-])c1c(NC[C@H](O)c2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC001593466029 1349803207 /nfs/dbraw/zinc/80/32/07/1349803207.db2.gz UTIQUCZNFSOZFL-ZDUSSCGKSA-N -1 1 344.306 2.060 20 5 EEBDMM O=[N+]([O-])c1c(NC[C@H](O)c2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC001593466029 1349803211 /nfs/dbraw/zinc/80/32/11/1349803211.db2.gz UTIQUCZNFSOZFL-ZDUSSCGKSA-N -1 1 344.306 2.060 20 5 EEBDMM O=[N+]([O-])c1cc(N[C@@H]2CCOC23CCCC3)ccc1-c1nn[n-]n1 ZINC001593474487 1349807637 /nfs/dbraw/zinc/80/76/37/1349807637.db2.gz PYEKYAUXGXQRNY-CYBMUJFWSA-N -1 1 330.348 2.289 20 5 EEBDMM O=[N+]([O-])c1ccc(N[C@H]2CCOC23CCCC3)cc1-c1nnn[n-]1 ZINC001593478553 1349810899 /nfs/dbraw/zinc/81/08/99/1349810899.db2.gz VOCGJGGUNUYFGE-ZDUSSCGKSA-N -1 1 330.348 2.289 20 5 EEBDMM O=[N+]([O-])c1ccc(N[C@H]2CCOC23CCCC3)cc1-c1nn[n-]n1 ZINC001593478553 1349810900 /nfs/dbraw/zinc/81/09/00/1349810900.db2.gz VOCGJGGUNUYFGE-ZDUSSCGKSA-N -1 1 330.348 2.289 20 5 EEBDMM O=C([O-])[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001601305864 1350253759 /nfs/dbraw/zinc/25/37/59/1350253759.db2.gz OZQFXVRRUGEEPF-MBNYWOFBSA-N -1 1 347.371 2.109 20 5 EEBDMM CC(C)c1nn(C)cc1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603419041 1350703027 /nfs/dbraw/zinc/70/30/27/1350703027.db2.gz SDYNHOBMPPTLPM-UHFFFAOYSA-N -1 1 328.336 2.375 20 5 EEBDMM CC1(C)C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS1 ZINC001603764683 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467541536 /nfs/dbraw/zinc/54/15/36/467541536.db2.gz BCQROBQIYCXVPE-UHFFFAOYSA-N -1 1 345.311 2.138 20 5 EEBDMM CC1(C(=O)[O-])CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000592399486 468690781 /nfs/dbraw/zinc/69/07/81/468690781.db2.gz SUGQCXXNEAFWGX-UHFFFAOYSA-N -1 1 346.343 2.332 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000598305810 468825753 /nfs/dbraw/zinc/82/57/53/468825753.db2.gz CINZSNCQMPAFLL-BXUZGUMPSA-N -1 1 335.360 2.117 20 5 EEBDMM Cc1cc(S(=O)(=O)[N-]CCC(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000601359925 468840488 /nfs/dbraw/zinc/84/04/88/468840488.db2.gz PJJCRKOERRAUMH-UHFFFAOYSA-N -1 1 330.259 2.273 20 5 EEBDMM CC(C)C[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)CC(=O)[O-] ZINC000593697312 469100131 /nfs/dbraw/zinc/10/01/31/469100131.db2.gz KNIOPVVSDWEQHU-JTQLQIEISA-N -1 1 348.359 2.338 20 5 EEBDMM O=C(NC[C@H]1CCc2ccccc2C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000609772608 469960276 /nfs/dbraw/zinc/96/02/76/469960276.db2.gz 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CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n[nH]1 ZINC000277933198 274325045 /nfs/dbraw/zinc/32/50/45/274325045.db2.gz RZWDDMSSUOUCBD-RKDXNWHRSA-N -1 1 333.348 2.423 20 5 EEBDMM Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290674265 275228483 /nfs/dbraw/zinc/22/84/83/275228483.db2.gz KSRNIISQOCLPLJ-SNVBAGLBSA-N -1 1 346.309 2.193 20 5 EEBDMM O=c1ccc([N+](=O)[O-])cn1Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000350819019 312346573 /nfs/dbraw/zinc/34/65/73/312346573.db2.gz XPPUPEXMEVOHSS-UHFFFAOYSA-N -1 1 348.702 2.214 20 5 EEBDMM O=C([O-])[C@@H]1CCO[C@H]1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000565111552 319150400 /nfs/dbraw/zinc/15/04/00/319150400.db2.gz KUCLLJSIWNFIKC-CVEARBPZSA-N -1 1 334.372 2.297 20 5 EEBDMM CCOC(=O)c1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c([O-])c1 ZINC000354595456 465044904 /nfs/dbraw/zinc/04/49/04/465044904.db2.gz LRWYKHHQKXVLOW-UHFFFAOYSA-N -1 1 345.311 2.312 20 5 EEBDMM Cc1ccc(Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)s2)cc1 ZINC000341902037 465273315 /nfs/dbraw/zinc/27/33/15/465273315.db2.gz HMYZYTYJGIWMNE-UHFFFAOYSA-N -1 1 343.368 2.926 20 5 EEBDMM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000006316202 462682372 /nfs/dbraw/zinc/68/23/72/462682372.db2.gz GDSZSROKPSTWRO-UHFFFAOYSA-N -1 1 349.368 2.064 20 5 EEBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000093133840 463011333 /nfs/dbraw/zinc/01/13/33/463011333.db2.gz YOKBBWAZCRTCPB-LBPRGKRZSA-N -1 1 343.387 2.218 20 5 EEBDMM O=C(Nc1nn[n-]n1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000135471203 463161113 /nfs/dbraw/zinc/16/11/13/463161113.db2.gz IXHRFGJIJVKSMF-UHFFFAOYSA-N -1 1 326.272 2.153 20 5 EEBDMM COc1cc(F)ccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000026546703 463167115 /nfs/dbraw/zinc/16/71/15/463167115.db2.gz MOCOQNCBOIIBQO-UHFFFAOYSA-N -1 1 342.304 2.249 20 5 EEBDMM COc1cc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)ccc1[N+](=O)[O-] ZINC000160651194 463358536 /nfs/dbraw/zinc/35/85/36/463358536.db2.gz LOCFKUYVHCELMC-UHFFFAOYSA-N -1 1 340.361 2.251 20 5 EEBDMM CN1CCOc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc21 ZINC000178197266 463859477 /nfs/dbraw/zinc/85/94/77/463859477.db2.gz ZIBCBTYAMWTPOQ-UHFFFAOYSA-N -1 1 349.368 2.224 20 5 EEBDMM O=C(NCC1(c2cccc(F)c2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185708977 463866037 /nfs/dbraw/zinc/86/60/37/463866037.db2.gz FRJBGWAGGIWJFC-UHFFFAOYSA-N -1 1 331.303 2.296 20 5 EEBDMM O=C([N-]C[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000221971576 464126644 /nfs/dbraw/zinc/12/66/44/464126644.db2.gz JAJVXJRLAWAKTD-JTQLQIEISA-N -1 1 331.294 2.490 20 5 EEBDMM CCO[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000192792640 464999934 /nfs/dbraw/zinc/99/99/34/464999934.db2.gz ASFXCDAVSZZJJD-AWEZNQCLSA-N -1 1 331.328 2.203 20 5 EEBDMM CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000356883433 465598181 /nfs/dbraw/zinc/59/81/81/465598181.db2.gz VGEHTTQEQOVPOK-OTYXRUKQSA-N -1 1 349.318 2.341 20 5 EEBDMM CCCCOc1ncccc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000357911595 466312450 /nfs/dbraw/zinc/31/24/50/466312450.db2.gz JYXLAPBNRLTVKJ-UHFFFAOYSA-N -1 1 346.343 2.199 20 5 EEBDMM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000319647792 466597379 /nfs/dbraw/zinc/59/73/79/466597379.db2.gz RCRSZGYKWPMKPG-UHFFFAOYSA-N -1 1 340.288 2.233 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)C(C)(C)C)c([N+](=O)[O-])n1 ZINC000431577185 467526477 /nfs/dbraw/zinc/52/64/77/467526477.db2.gz WOUWAKXAAXFBHB-UHFFFAOYSA-N -1 1 332.426 2.162 20 5 EEBDMM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000733868755 577261790 /nfs/dbraw/zinc/26/17/90/577261790.db2.gz QQFHGCLCHBFNHJ-UHFFFAOYSA-N -1 1 335.385 2.457 20 5 EEBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000766819298 577525218 /nfs/dbraw/zinc/52/52/18/577525218.db2.gz RMRRXKPAEIZRSG-UHFFFAOYSA-N -1 1 336.377 2.480 20 5 EEBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000744606637 577900480 /nfs/dbraw/zinc/90/04/80/577900480.db2.gz RAGJLNVDVGIXCV-UHFFFAOYSA-N -1 1 332.312 2.241 20 5 EEBDMM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000833295446 601855323 /nfs/dbraw/zinc/85/53/23/601855323.db2.gz WZDHLKKRTJRIEQ-UHFFFAOYSA-N -1 1 340.288 2.233 20 5 EEBDMM O=Cc1ccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c([N+](=O)[O-])c1 ZINC000823556951 606441058 /nfs/dbraw/zinc/44/10/58/606441058.db2.gz CBFWDEVYLXDQEV-UHFFFAOYSA-N -1 1 346.690 2.428 20 5 EEBDMM O=Cc1ccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c([N+](=O)[O-])c1 ZINC000823556951 606441060 /nfs/dbraw/zinc/44/10/60/606441060.db2.gz CBFWDEVYLXDQEV-UHFFFAOYSA-N -1 1 346.690 2.428 20 5 EEBDMM C[C@H](CCc1ccco1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820254677 607162171 /nfs/dbraw/zinc/16/21/71/607162171.db2.gz UOYXUJPDKZMFBP-SECBINFHSA-N -1 1 329.320 2.196 20 5 EEBDMM C[C@H](CCc1ccco1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820254677 607162173 /nfs/dbraw/zinc/16/21/73/607162173.db2.gz UOYXUJPDKZMFBP-SECBINFHSA-N -1 1 329.320 2.196 20 5 EEBDMM C[C@@H]1CCCC[C@@H]1OCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820703506 607168365 /nfs/dbraw/zinc/16/83/65/607168365.db2.gz GOBVUWVSJVXTLT-PWSUYJOCSA-N -1 1 347.379 2.177 20 5 EEBDMM C[C@@H]1CCCC[C@@H]1OCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820703506 607168366 /nfs/dbraw/zinc/16/83/66/607168366.db2.gz GOBVUWVSJVXTLT-PWSUYJOCSA-N -1 1 347.379 2.177 20 5 EEBDMM O=[N+]([O-])c1cccc(CCNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000826499541 607968556 /nfs/dbraw/zinc/96/85/56/607968556.db2.gz MRTNJRJAGGYHHB-UHFFFAOYSA-N -1 1 345.750 2.478 20 5 EEBDMM O=[N+]([O-])c1cccc(CCNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000826499541 607968557 /nfs/dbraw/zinc/96/85/57/607968557.db2.gz MRTNJRJAGGYHHB-UHFFFAOYSA-N -1 1 345.750 2.478 20 5 EEBDMM CC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccncc1 ZINC000119844553 1229614720 /nfs/dbraw/zinc/61/47/20/1229614720.db2.gz QPKQPOUXGIPJLQ-LLVKDONJSA-N -1 1 327.387 2.481 20 5 EEBDMM COC(=O)[C@@H](C)Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234744422 1305017262 /nfs/dbraw/zinc/01/72/62/1305017262.db2.gz LYSYOMGNZYRZQE-MRVPVSSYSA-N -1 1 330.292 2.298 20 5 EEBDMM O=C1OC[C@@H](COc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)O1 ZINC001234743934 1305017403 /nfs/dbraw/zinc/01/74/03/1305017403.db2.gz HPDALYNIUMPKCJ-SNVBAGLBSA-N -1 1 344.275 2.272 20 5 EEBDMM CC(C)OC(=O)COc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234878861 1305044682 /nfs/dbraw/zinc/04/46/82/1305044682.db2.gz ZHQTVONVJKRJPD-UHFFFAOYSA-N -1 1 334.122 2.393 20 5 EEBDMM Cc1n[nH]c(C)c1[C@H](C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001309571212 1331634723 /nfs/dbraw/zinc/63/47/23/1331634723.db2.gz NXEVIKFSPGYROV-QMMMGPOBSA-N -1 1 330.391 2.036 20 5 EEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2n[nH]c(-c3ccccc3)n2)n1 ZINC001608915581 1351793462 /nfs/dbraw/zinc/79/34/62/1351793462.db2.gz FCSHHXUOUHZSTP-UHFFFAOYSA-N -1 1 340.299 2.085 20 5 EEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2nc(-c3ccccc3)n[nH]2)n1 ZINC001608915581 1351793466 /nfs/dbraw/zinc/79/34/66/1351793466.db2.gz FCSHHXUOUHZSTP-UHFFFAOYSA-N -1 1 340.299 2.085 20 5 EEBDMM CCOc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609242824 1351906647 /nfs/dbraw/zinc/90/66/47/1351906647.db2.gz JUOYBWHKWQIBLD-UHFFFAOYSA-N -1 1 328.288 2.361 20 5 EEBDMM Cc1cc(C)c(OC(=O)c2cccc(-c3nnn[n-]3)n2)c([N+](=O)[O-])c1 ZINC001609397687 1351960190 /nfs/dbraw/zinc/96/01/90/1351960190.db2.gz PXDNTHDGAFKLES-UHFFFAOYSA-N -1 1 340.299 2.006 20 5 EEBDMM Cc1cc(C)c(OC(=O)c2cccc(-c3nn[n-]n3)n2)c([N+](=O)[O-])c1 ZINC001609397687 1351960192 /nfs/dbraw/zinc/96/01/92/1351960192.db2.gz PXDNTHDGAFKLES-UHFFFAOYSA-N -1 1 340.299 2.006 20 5 EEBDMM Cc1cccc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1C ZINC001609431418 1351974543 /nfs/dbraw/zinc/97/45/43/1351974543.db2.gz FTYRGECOCBBMFA-UHFFFAOYSA-N -1 1 339.359 2.423 20 5 EEBDMM Cc1cccc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1C ZINC001609431418 1351974544 /nfs/dbraw/zinc/97/45/44/1351974544.db2.gz FTYRGECOCBBMFA-UHFFFAOYSA-N -1 1 339.359 2.423 20 5 EEBDMM Cc1ccsc1CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609440433 1351978556 /nfs/dbraw/zinc/97/85/56/1351978556.db2.gz RBKMXDFTIMJVPE-UHFFFAOYSA-N -1 1 331.361 2.339 20 5 EEBDMM Cc1ccsc1CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609440433 1351978560 /nfs/dbraw/zinc/97/85/60/1351978560.db2.gz RBKMXDFTIMJVPE-UHFFFAOYSA-N -1 1 331.361 2.339 20 5 EEBDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001609468357 1351989333 /nfs/dbraw/zinc/98/93/33/1351989333.db2.gz QSMYMPYLPITRSS-UHFFFAOYSA-N -1 1 332.251 2.068 20 5 EEBDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001609468357 1351989337 /nfs/dbraw/zinc/98/93/37/1351989337.db2.gz QSMYMPYLPITRSS-UHFFFAOYSA-N -1 1 332.251 2.068 20 5 EEBDMM C[C@H](C(=O)c1cccc(Cl)c1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001589033019 1348954286 /nfs/dbraw/zinc/95/42/86/1348954286.db2.gz UBOROGCWMQPKEO-SSDOTTSWSA-N -1 1 347.722 2.069 20 5 EEBDMM CCc1nc(C)c(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])o1 ZINC001590911865 1349411358 /nfs/dbraw/zinc/41/13/58/1349411358.db2.gz UDHBXDPWDJXOGC-UHFFFAOYSA-N -1 1 335.349 2.307 20 5 EEBDMM CCc1nc(C)c(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])o1 ZINC001590911865 1349411361 /nfs/dbraw/zinc/41/13/61/1349411361.db2.gz UDHBXDPWDJXOGC-UHFFFAOYSA-N -1 1 335.349 2.307 20 5 EEBDMM C[C@@H](Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cncc(F)c1 ZINC001591730113 1349536752 /nfs/dbraw/zinc/53/67/52/1349536752.db2.gz UKFUMGMDPJBMJA-MRVPVSSYSA-N -1 1 329.295 2.482 20 5 EEBDMM C[C@@H](Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cncc(F)c1 ZINC001591730113 1349536754 /nfs/dbraw/zinc/53/67/54/1349536754.db2.gz UKFUMGMDPJBMJA-MRVPVSSYSA-N -1 1 329.295 2.482 20 5 EEBDMM Cc1occc1C[N@H+](C)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001592511114 1349643681 /nfs/dbraw/zinc/64/36/81/1349643681.db2.gz FFEAYPLNDDGQHV-UHFFFAOYSA-N -1 1 328.332 2.308 20 5 EEBDMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cc([N+](=O)[O-])ccc1Cl ZINC001593245024 1349749320 /nfs/dbraw/zinc/74/93/20/1349749320.db2.gz CURKXORAQBUWLT-UHFFFAOYSA-N -1 1 345.706 2.076 20 5 EEBDMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cc([N+](=O)[O-])ccc1Cl ZINC001593245024 1349749322 /nfs/dbraw/zinc/74/93/22/1349749322.db2.gz CURKXORAQBUWLT-UHFFFAOYSA-N -1 1 345.706 2.076 20 5 EEBDMM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H](c2nc[nH]n2)C1 ZINC001602298824 1350488381 /nfs/dbraw/zinc/48/83/81/1350488381.db2.gz GTBGHKDYZIGTCS-SSDOTTSWSA-N -1 1 337.723 2.058 20 5 EEBDMM CC[C@@]1(C)CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001604081728 1350849492 /nfs/dbraw/zinc/84/94/92/1350849492.db2.gz MQQKAEFBEUSPDG-HNNXBMFYSA-N -1 1 331.380 2.374 20 5 EEBDMM CC[C@@]1(C)CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001604081728 1350849495 /nfs/dbraw/zinc/84/94/95/1350849495.db2.gz MQQKAEFBEUSPDG-HNNXBMFYSA-N -1 1 331.380 2.374 20 5 EEBDMM CO[C@@H]1CCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001605030688 1351061006 /nfs/dbraw/zinc/06/10/06/1351061006.db2.gz OHXGJNHIGBLNTF-ZWNOBZJWSA-N -1 1 332.364 2.310 20 5 EEBDMM CO[C@@H]1CCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001605030688 1351061011 /nfs/dbraw/zinc/06/10/11/1351061011.db2.gz OHXGJNHIGBLNTF-ZWNOBZJWSA-N -1 1 332.364 2.310 20 5 EEBDMM Cc1cc(NC[C@H]2CCOC2(C)C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605729446 1351218950 /nfs/dbraw/zinc/21/89/50/1351218950.db2.gz CIHXHBDCCJZYJS-SNVBAGLBSA-N -1 1 332.364 2.310 20 5 EEBDMM Cc1cc(NC[C@H]2CCOC2(C)C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605729446 1351218952 /nfs/dbraw/zinc/21/89/52/1351218952.db2.gz CIHXHBDCCJZYJS-SNVBAGLBSA-N -1 1 332.364 2.310 20 5 EEBDMM O=[N+]([O-])c1cc(N[C@H](C2CCC2)[C@@H]2CCOC2)ccc1-c1nn[n-]n1 ZINC001607079619 1351408324 /nfs/dbraw/zinc/40/83/24/1351408324.db2.gz KGMQEWISEYTEPU-IAQYHMDHSA-N -1 1 344.375 2.392 20 5 EEBDMM O=[N+]([O-])c1ncccc1NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001167937095 781009044 /nfs/dbraw/zinc/00/90/44/781009044.db2.gz QWRGAYUSKZPFAT-UHFFFAOYSA-N -1 1 335.256 2.075 20 5 EEBDMM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000817239231 784593851 /nfs/dbraw/zinc/59/38/51/784593851.db2.gz JLUKDGNPNJXTDX-UHFFFAOYSA-N -1 1 348.277 2.437 20 5 EEBDMM CC[C@@]1(C(=O)[O-])CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001573822653 960975436 /nfs/dbraw/zinc/97/54/36/960975436.db2.gz PFLKOFABCMCCNC-SJKOYZFVSA-N -1 1 349.387 2.499 20 5 EEBDMM COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001598988858 998718645 /nfs/dbraw/zinc/71/86/45/998718645.db2.gz WPCNHEKOKSMFPC-OAHLLOKOSA-N -1 1 344.323 2.297 20 5 EEBDMM Cc1cccc(OC[C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000193450518 240169214 /nfs/dbraw/zinc/16/92/14/240169214.db2.gz KOSRLKITDZLUBG-LLVKDONJSA-N -1 1 331.328 2.201 20 5 EEBDMM COC(=O)N(C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000491377864 246011587 /nfs/dbraw/zinc/01/15/87/246011587.db2.gz FVGWOGOYTFJSRD-UHFFFAOYSA-N -1 1 332.316 2.373 20 5 EEBDMM O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164824915 255810972 /nfs/dbraw/zinc/81/09/72/255810972.db2.gz HXIMHJNTIKALPU-UHFFFAOYSA-N -1 1 330.275 2.246 20 5 EEBDMM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000185753325 160047371 /nfs/dbraw/zinc/04/73/71/160047371.db2.gz ZNAQVHDFSACCQZ-SECBINFHSA-N -1 1 335.291 2.032 20 5 EEBDMM O=C(NCc1cccc(OC(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187048032 160091119 /nfs/dbraw/zinc/09/11/19/160091119.db2.gz VHOOXNNPRPWWEF-UHFFFAOYSA-N -1 1 339.254 2.227 20 5 EEBDMM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193974480 160190153 /nfs/dbraw/zinc/19/01/53/160190153.db2.gz QDUWFFBCZPMIDJ-GWCFXTLKSA-N -1 1 328.328 2.314 20 5 EEBDMM Cc1ccc(O)c(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1 ZINC000346456757 161373996 /nfs/dbraw/zinc/37/39/96/161373996.db2.gz AVEWTTRGQGDVQE-UHFFFAOYSA-N -1 1 338.341 2.424 20 5 EEBDMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000157882419 292574154 /nfs/dbraw/zinc/57/41/54/292574154.db2.gz SQAJOTZQJNPRTB-PWSUYJOCSA-N -1 1 348.808 2.484 20 5 EEBDMM CN1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000182938435 290031252 /nfs/dbraw/zinc/03/12/52/290031252.db2.gz JWNCRIFEIXSZSA-UHFFFAOYSA-N -1 1 333.388 2.391 20 5 EEBDMM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000341211860 293667248 /nfs/dbraw/zinc/66/72/48/293667248.db2.gz GNBVCTMAGMDHBS-BXKDBHETSA-N -1 1 348.808 2.342 20 5 EEBDMM COc1ccc(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)c([O-])c1 ZINC000350915177 312352476 /nfs/dbraw/zinc/35/24/76/312352476.db2.gz MIJFQZMPFGZHSZ-UHFFFAOYSA-N -1 1 331.288 2.068 20 5 EEBDMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000416522976 313245313 /nfs/dbraw/zinc/24/53/13/313245313.db2.gz BQLYXEGZMVGBBH-DTORHVGOSA-N -1 1 334.781 2.094 20 5 EEBDMM COCC[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416583171 313265484 /nfs/dbraw/zinc/26/54/84/313265484.db2.gz MCDWMIPNAGAJDE-VIFPVBQESA-N -1 1 336.797 2.199 20 5 EEBDMM COc1cc(CN(C)C[C@@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000580897536 324149657 /nfs/dbraw/zinc/14/96/57/324149657.db2.gz NYYIXEMSFGLGBA-MRVPVSSYSA-N -1 1 348.302 2.357 20 5 EEBDMM CCCCNC(=O)[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092710103 462975441 /nfs/dbraw/zinc/97/54/41/462975441.db2.gz QOVLQAGZYMCHOU-CYBMUJFWSA-N -1 1 335.404 2.429 20 5 EEBDMM O=C(Nc1ccncc1[O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000109891565 463652572 /nfs/dbraw/zinc/65/25/72/463652572.db2.gz MTIQREHMUUIMTE-UHFFFAOYSA-N -1 1 325.284 2.133 20 5 EEBDMM CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000286853364 463724420 /nfs/dbraw/zinc/72/44/20/463724420.db2.gz ZBEWDXCGYNEFII-UHFFFAOYSA-N -1 1 347.371 2.488 20 5 EEBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000272027394 464451968 /nfs/dbraw/zinc/45/19/68/464451968.db2.gz ITEQSVXTSGZBJF-BXKDBHETSA-N -1 1 348.808 2.484 20 5 EEBDMM CCn1ccnc1[C@@H]1CCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000281740130 464567446 /nfs/dbraw/zinc/56/74/46/464567446.db2.gz JGZJCLHFUZNDQL-LBPRGKRZSA-N -1 1 345.359 2.279 20 5 EEBDMM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000191049359 464769104 /nfs/dbraw/zinc/76/91/04/464769104.db2.gz FJCVCAPCNAAXPO-BDAKNGLRSA-N -1 1 334.781 2.094 20 5 EEBDMM O=C(c1cc(F)ccc1[O-])N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000176957832 464893611 /nfs/dbraw/zinc/89/36/11/464893611.db2.gz AWSNYPAUJRZPSI-UHFFFAOYSA-N -1 1 345.330 2.402 20 5 EEBDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000567857306 468224796 /nfs/dbraw/zinc/22/47/96/468224796.db2.gz BIQHZLHPQOKKDH-NWDGAFQWSA-N -1 1 335.360 2.027 20 5 EEBDMM COc1cc(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000600803635 468662091 /nfs/dbraw/zinc/66/20/91/468662091.db2.gz XQXUNBARNFBLRL-CMPLNLGQSA-N -1 1 338.360 2.155 20 5 EEBDMM Cc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000563059792 469156154 /nfs/dbraw/zinc/15/61/54/469156154.db2.gz XRTUWZCHURMTGT-QWHCGFSZSA-N -1 1 333.369 2.133 20 5 EEBDMM O=C([N-]c1nn2cnnc2s1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603788332 469429810 /nfs/dbraw/zinc/42/98/10/469429810.db2.gz RYKFBMQXEPBTSF-UHFFFAOYSA-N -1 1 330.285 2.093 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000187192339 534767217 /nfs/dbraw/zinc/76/72/17/534767217.db2.gz GTHMIDDNOMIYQV-AWEZNQCLSA-N -1 1 342.355 2.412 20 5 EEBDMM CC(C)Oc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1C(N)=O ZINC000447678633 534963510 /nfs/dbraw/zinc/96/35/10/534963510.db2.gz LCKPKSHBCYHBOK-UHFFFAOYSA-N -1 1 332.316 2.061 20 5 EEBDMM C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769049657 577568075 /nfs/dbraw/zinc/56/80/75/577568075.db2.gz PZNKNVGRMYTLFB-IINYFYTJSA-N -1 1 336.344 2.152 20 5 EEBDMM CC(C)N1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736475068 578206706 /nfs/dbraw/zinc/20/67/06/578206706.db2.gz SEPNRQJDWDBJMO-UHFFFAOYSA-N -1 1 327.768 2.477 20 5 EEBDMM C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C(=O)[O-] ZINC000833629492 604671129 /nfs/dbraw/zinc/67/11/29/604671129.db2.gz JSHQEPBIUOZSOG-GZMMTYOYSA-N -1 1 330.287 2.349 20 5 EEBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1cccc(-c2nnn[n-]2)n1 ZINC000825953545 607895419 /nfs/dbraw/zinc/89/54/19/607895419.db2.gz KDMGVFBJPMDNPA-UHFFFAOYSA-N -1 1 345.750 2.460 20 5 EEBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1cccc(-c2nn[n-]n2)n1 ZINC000825953545 607895420 /nfs/dbraw/zinc/89/54/20/607895420.db2.gz KDMGVFBJPMDNPA-UHFFFAOYSA-N -1 1 345.750 2.460 20 5 EEBDMM COC(=O)c1ccc(C(=O)OCc2ccc(OC)c([N+](=O)[O-])c2)[n-]1 ZINC000796345357 1213854438 /nfs/dbraw/zinc/85/44/38/1213854438.db2.gz PSQDGYMMHZMLMC-UHFFFAOYSA-N -1 1 334.284 2.075 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC=CO2)cc1F ZINC000867151796 1283880860 /nfs/dbraw/zinc/88/08/60/1283880860.db2.gz OGZLUSDFGFXAHF-SNVBAGLBSA-N -1 1 330.337 2.013 20 5 EEBDMM O=C(OCCC[N+](=O)[O-])c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC000860919546 1295172766 /nfs/dbraw/zinc/17/27/66/1295172766.db2.gz PKMRDTJWQVFNGJ-UHFFFAOYSA-N -1 1 332.312 2.195 20 5 EEBDMM CCCOC(=O)[C@@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228859949 1302488907 /nfs/dbraw/zinc/48/89/07/1302488907.db2.gz OICQXEDYBFZMNK-ZCFIWIBFSA-N -1 1 338.238 2.435 20 5 EEBDMM C[C@@H]1CN(CCc2nnc(-c3cc([O-])ccc3[N+](=O)[O-])o2)C[C@@H](C)O1 ZINC001258146588 1319188759 /nfs/dbraw/zinc/18/87/59/1319188759.db2.gz PIJBYWTYCBXILJ-GHMZBOCLSA-N -1 1 348.359 2.002 20 5 EEBDMM C[C@H]1CN(CCc2nnc(-c3cc([O-])cc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC001258154640 1319194635 /nfs/dbraw/zinc/19/46/35/1319194635.db2.gz XKVDWQANZVQULO-QWRGUYRKSA-N -1 1 348.359 2.002 20 5 EEBDMM Cc1noc(C)c1CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606130207 1351276728 /nfs/dbraw/zinc/27/67/28/1351276728.db2.gz NNSXTSRMGXCPRV-UHFFFAOYSA-N -1 1 329.320 2.034 20 5 EEBDMM Cc1noc(C)c1CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606130207 1351276731 /nfs/dbraw/zinc/27/67/31/1351276731.db2.gz NNSXTSRMGXCPRV-UHFFFAOYSA-N -1 1 329.320 2.034 20 5 EEBDMM C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])CC(F)(F)F ZINC001609113674 1351849480 /nfs/dbraw/zinc/84/94/80/1351849480.db2.gz BYUIXEASGPFPHA-LURJTMIESA-N -1 1 331.258 2.170 20 5 EEBDMM C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])CC(F)(F)F ZINC001609113674 1351849481 /nfs/dbraw/zinc/84/94/81/1351849481.db2.gz BYUIXEASGPFPHA-LURJTMIESA-N -1 1 331.258 2.170 20 5 EEBDMM O=[N+]([O-])c1ccc(NCc2ccc(Cl)nc2)cc1-c1nnn[n-]1 ZINC001609602296 1352031819 /nfs/dbraw/zinc/03/18/19/1352031819.db2.gz WJTHAOJYIFDWRH-UHFFFAOYSA-N -1 1 331.723 2.435 20 5 EEBDMM O=[N+]([O-])c1ccc(NCc2ccc(Cl)nc2)cc1-c1nn[n-]n1 ZINC001609602296 1352031822 /nfs/dbraw/zinc/03/18/22/1352031822.db2.gz WJTHAOJYIFDWRH-UHFFFAOYSA-N -1 1 331.723 2.435 20 5 EEBDMM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001609636986 1352047407 /nfs/dbraw/zinc/04/74/07/1352047407.db2.gz BEIFFZMSTDEEKP-BZNIZROVSA-N -1 1 335.360 2.109 20 5 EEBDMM C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001609637629 1352047774 /nfs/dbraw/zinc/04/77/74/1352047774.db2.gz DNXIDPHOSOZOAV-ZBEGNZNMSA-N -1 1 335.360 2.109 20 5 EEBDMM Cc1cc(NC[C@H]2CC3(CCC3)CO2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592043379 1349587479 /nfs/dbraw/zinc/58/74/79/1349587479.db2.gz FJIKOVLLKBLFSH-GFCCVEGCSA-N -1 1 344.375 2.454 20 5 EEBDMM Cc1cc(NC[C@H]2CC3(CCC3)CO2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592043379 1349587482 /nfs/dbraw/zinc/58/74/82/1349587482.db2.gz FJIKOVLLKBLFSH-GFCCVEGCSA-N -1 1 344.375 2.454 20 5 EEBDMM Cc1ccc([C@@H](O)CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1 ZINC001592196216 1349604197 /nfs/dbraw/zinc/60/41/97/1349604197.db2.gz HFMGRORXKZJCHD-NSHDSACASA-N -1 1 346.372 2.290 20 5 EEBDMM Cc1ccc([C@@H](O)CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1 ZINC001592196216 1349604201 /nfs/dbraw/zinc/60/42/01/1349604201.db2.gz HFMGRORXKZJCHD-NSHDSACASA-N -1 1 346.372 2.290 20 5 EEBDMM Cc1cccc([C@H](O)CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001592224873 1349612265 /nfs/dbraw/zinc/61/22/65/1349612265.db2.gz YRNDYDFGNCROBY-CQSZACIVSA-N -1 1 340.343 2.229 20 5 EEBDMM Cc1cccc([C@H](O)CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001592224873 1349612267 /nfs/dbraw/zinc/61/22/67/1349612267.db2.gz YRNDYDFGNCROBY-CQSZACIVSA-N -1 1 340.343 2.229 20 5 EEBDMM Cn1cc2c(n1)CCC[C@@H]2Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001592577406 1349661089 /nfs/dbraw/zinc/66/10/89/1349661089.db2.gz BOCJBINHJFLFSD-QMMMGPOBSA-N -1 1 346.376 2.059 20 5 EEBDMM Cn1cc2c(n1)CCC[C@@H]2Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001592577406 1349661095 /nfs/dbraw/zinc/66/10/95/1349661095.db2.gz BOCJBINHJFLFSD-QMMMGPOBSA-N -1 1 346.376 2.059 20 5 EEBDMM Nc1cc(NC[C@@H]2CCCC23CC3)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760094 1349713390 /nfs/dbraw/zinc/71/33/90/1349713390.db2.gz RRBOXQJBUNNHEY-VIFPVBQESA-N -1 1 329.364 2.349 20 5 EEBDMM Nc1cc(NC[C@@H]2CCCC23CC3)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760094 1349713392 /nfs/dbraw/zinc/71/33/92/1349713392.db2.gz RRBOXQJBUNNHEY-VIFPVBQESA-N -1 1 329.364 2.349 20 5 EEBDMM O=[N+]([O-])c1cccc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001593484313 1349814309 /nfs/dbraw/zinc/81/43/09/1349814309.db2.gz VFCAKSSZARRCLJ-UHFFFAOYSA-N -1 1 341.287 2.295 20 5 EEBDMM O=[N+]([O-])c1cccc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001593484313 1349814311 /nfs/dbraw/zinc/81/43/11/1349814311.db2.gz VFCAKSSZARRCLJ-UHFFFAOYSA-N -1 1 341.287 2.295 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC(c2ncco2)CC1 ZINC001593488361 1349816590 /nfs/dbraw/zinc/81/65/90/1349816590.db2.gz VTVWOMZPHYMPLX-UHFFFAOYSA-N -1 1 347.360 2.208 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC(c2ncco2)CC1 ZINC001593488361 1349816595 /nfs/dbraw/zinc/81/65/95/1349816595.db2.gz VTVWOMZPHYMPLX-UHFFFAOYSA-N -1 1 347.360 2.208 20 5 EEBDMM O=[N+]([O-])c1cc(N[C@@H](CCO)C2CCCC2)ccc1-c1nn[n-]n1 ZINC001607079912 1351409370 /nfs/dbraw/zinc/40/93/70/1351409370.db2.gz OOWRIQUYHQQLFF-ZDUSSCGKSA-N -1 1 332.364 2.128 20 5 EEBDMM CN(CCCNc1ccc([N+](=O)[O-])cc1)C(=O)c1ncccc1[O-] ZINC001109436949 805463367 /nfs/dbraw/zinc/46/33/67/805463367.db2.gz QRPYXHZUWHFRIU-UHFFFAOYSA-N -1 1 330.344 2.270 20 5 EEBDMM CSc1ccc([N+](=O)[O-])c(C(=O)N=c2ccnc3n(C)[n-]cc2-3)c1 ZINC000791166889 809099001 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330.362 2.316 20 5 EEBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332304632 466498160 /nfs/dbraw/zinc/49/81/60/466498160.db2.gz LBNOSUOTVZSPKL-SNVBAGLBSA-N -1 1 332.316 2.012 20 5 EEBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2c(s1)CCC2 ZINC000457912758 467728746 /nfs/dbraw/zinc/72/87/46/467728746.db2.gz HIOVQIIMLSKYOB-ZETCQYMHSA-N -1 1 334.357 2.132 20 5 EEBDMM C[C@@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1cccc([N+](=O)[O-])c1 ZINC000773830259 577366555 /nfs/dbraw/zinc/36/65/55/577366555.db2.gz JUJJSFDWGUKHFU-SECBINFHSA-N -1 1 343.368 2.417 20 5 EEBDMM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000774797523 577418623 /nfs/dbraw/zinc/41/86/23/577418623.db2.gz JNJMWUBZTCMEIB-SKDRFNHKSA-N -1 1 348.808 2.342 20 5 EEBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000767584491 577540395 /nfs/dbraw/zinc/54/03/95/577540395.db2.gz HHJIVXOTQRLGHV-QMMMGPOBSA-N -1 1 328.371 2.401 20 5 EEBDMM 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346.380 2.136 20 5 EEBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(OC[C@@H]3CCO3)c12 ZINC001234125868 1304751894 /nfs/dbraw/zinc/75/18/94/1304751894.db2.gz ZDAPQEYCUUGDCW-VIFPVBQESA-N -1 1 330.292 2.231 20 5 EEBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](C)c2n[nH]c(C(C)C)n2)n1 ZINC001610437851 1352222391 /nfs/dbraw/zinc/22/23/91/1352222391.db2.gz XDHYRHUSYRPCLN-QMMMGPOBSA-N -1 1 334.336 2.411 20 5 EEBDMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1Cc1ccccc1[N+](=O)[O-] ZINC001582806526 1344794476 /nfs/dbraw/zinc/79/44/76/1344794476.db2.gz PKINIEJJCQZAEX-UHFFFAOYSA-N -1 1 348.322 2.138 20 5 EEBDMM CC(C)[C@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001589500874 1348997467 /nfs/dbraw/zinc/99/74/67/1348997467.db2.gz SYHUOUGHFDMLGH-ZWNOBZJWSA-N -1 1 332.364 2.390 20 5 EEBDMM CC(C)[C@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001589500874 1348997468 /nfs/dbraw/zinc/99/74/68/1348997468.db2.gz SYHUOUGHFDMLGH-ZWNOBZJWSA-N -1 1 332.364 2.390 20 5 EEBDMM C[C@H](Cc1ccncc1)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589901760 1349057851 /nfs/dbraw/zinc/05/78/51/1349057851.db2.gz FBFZFBUEEBBXSH-MRVPVSSYSA-N -1 1 331.361 2.275 20 5 EEBDMM C[C@H](Cc1ccncc1)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589901760 1349057852 /nfs/dbraw/zinc/05/78/52/1349057852.db2.gz FBFZFBUEEBBXSH-MRVPVSSYSA-N -1 1 331.361 2.275 20 5 EEBDMM Cc1cc(NC[C@@H]2CC(C)(C)CO2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592043411 1349587417 /nfs/dbraw/zinc/58/74/17/1349587417.db2.gz FUDNIIMFYHFOMN-NSHDSACASA-N -1 1 332.364 2.310 20 5 EEBDMM Cc1cc(NC[C@@H]2CC(C)(C)CO2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592043411 1349587420 /nfs/dbraw/zinc/58/74/20/1349587420.db2.gz FUDNIIMFYHFOMN-NSHDSACASA-N -1 1 332.364 2.310 20 5 EEBDMM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001592198129 1349604626 /nfs/dbraw/zinc/60/46/26/1349604626.db2.gz YOHZJGNRYLELDV-UHFFFAOYSA-N -1 1 331.313 2.364 20 5 EEBDMM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001592198129 1349604635 /nfs/dbraw/zinc/60/46/35/1349604635.db2.gz YOHZJGNRYLELDV-UHFFFAOYSA-N -1 1 331.313 2.364 20 5 EEBDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC001592503331 1349640081 /nfs/dbraw/zinc/64/00/81/1349640081.db2.gz GEOLJRJNGMGVPH-UHFFFAOYSA-N -1 1 335.301 2.095 20 5 EEBDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC001592503331 1349640083 /nfs/dbraw/zinc/64/00/83/1349640083.db2.gz GEOLJRJNGMGVPH-UHFFFAOYSA-N -1 1 335.301 2.095 20 5 EEBDMM O=[N+]([O-])c1cc(N2CCC([C@H]3CCOC3)CC2)ccc1-c1nn[n-]n1 ZINC001593472140 1349806914 /nfs/dbraw/zinc/80/69/14/1349806914.db2.gz WADDROMLPPLYCU-LBPRGKRZSA-N -1 1 344.375 2.028 20 5 EEBDMM CC(C)(C)C[C@@H](CO)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603071133 1350633122 /nfs/dbraw/zinc/63/31/22/1350633122.db2.gz MIHHYCQFKLZXCD-ZETCQYMHSA-N -1 1 326.382 2.045 20 5 EEBDMM CC(C)(C)C[C@@H](CO)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603071133 1350633124 /nfs/dbraw/zinc/63/31/24/1350633124.db2.gz MIHHYCQFKLZXCD-ZETCQYMHSA-N -1 1 326.382 2.045 20 5 EEBDMM CC1(C)[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC001603758265 1350758961 /nfs/dbraw/zinc/75/89/61/1350758961.db2.gz VNIGWIOSKMXNDN-BDODKLCJSA-N -1 1 336.377 2.062 20 5 EEBDMM CC1(C)[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC001603758265 1350758966 /nfs/dbraw/zinc/75/89/66/1350758966.db2.gz VNIGWIOSKMXNDN-BDODKLCJSA-N -1 1 336.377 2.062 20 5 EEBDMM C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC001603938606 1350807840 /nfs/dbraw/zinc/80/78/40/1350807840.db2.gz FXMPGEBGISCQGK-VIFPVBQESA-N -1 1 331.380 2.230 20 5 EEBDMM C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC001603938606 1350807845 /nfs/dbraw/zinc/80/78/45/1350807845.db2.gz FXMPGEBGISCQGK-VIFPVBQESA-N -1 1 331.380 2.230 20 5 EEBDMM CCOC(=O)[C@@H](CC)Sc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604362749 1350923902 /nfs/dbraw/zinc/92/39/02/1350923902.db2.gz MWVBXQKVOKELNE-LLVKDONJSA-N -1 1 337.361 2.209 20 5 EEBDMM CCOC(=O)[C@@H](CC)Sc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604362749 1350923905 /nfs/dbraw/zinc/92/39/05/1350923905.db2.gz MWVBXQKVOKELNE-LLVKDONJSA-N -1 1 337.361 2.209 20 5 EEBDMM CCc1nc(CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cs1 ZINC001604555369 1350960109 /nfs/dbraw/zinc/96/01/09/1350960109.db2.gz NDMDMGWNGHJNNY-UHFFFAOYSA-N -1 1 345.388 2.448 20 5 EEBDMM CCc1nc(CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cs1 ZINC001604555369 1350960111 /nfs/dbraw/zinc/96/01/11/1350960111.db2.gz NDMDMGWNGHJNNY-UHFFFAOYSA-N -1 1 345.388 2.448 20 5 EEBDMM CCc1nc(CN(C)c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cs1 ZINC001604555274 1350960251 /nfs/dbraw/zinc/96/02/51/1350960251.db2.gz JZGLLOASGNKSPX-UHFFFAOYSA-N -1 1 345.388 2.430 20 5 EEBDMM CCc1nc(CN(C)c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cs1 ZINC001604555274 1350960254 /nfs/dbraw/zinc/96/02/54/1350960254.db2.gz JZGLLOASGNKSPX-UHFFFAOYSA-N -1 1 345.388 2.430 20 5 EEBDMM CO[C@@H]1CCC[C@H]1CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001605030684 1351061477 /nfs/dbraw/zinc/06/14/77/1351061477.db2.gz OHXGJNHIGBLNTF-GXFFZTMASA-N -1 1 332.364 2.310 20 5 EEBDMM CO[C@@H]1CCC[C@H]1CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001605030684 1351061481 /nfs/dbraw/zinc/06/14/81/1351061481.db2.gz OHXGJNHIGBLNTF-GXFFZTMASA-N -1 1 332.364 2.310 20 5 EEBDMM O=[N+]([O-])c1cc(N2CCC[C@@H](OCC3CC3)C2)ccc1-c1nn[n-]n1 ZINC001607078511 1351407415 /nfs/dbraw/zinc/40/74/15/1351407415.db2.gz DLBVYEDBLYORRI-CYBMUJFWSA-N -1 1 344.375 2.170 20 5 EEBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC001607826289 1351566150 /nfs/dbraw/zinc/56/61/50/1351566150.db2.gz LBAVASLNDRQVFV-CLLJXQQHSA-N -1 1 349.387 2.415 20 5 EEBDMM Cc1nc(C2CCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])CC2)[nH]c1C ZINC001607952069 1351591860 /nfs/dbraw/zinc/59/18/60/1351591860.db2.gz NBRLYMFVSCEORZ-UHFFFAOYSA-N -1 1 345.359 2.412 20 5 EEBDMM O=C(NCCC[C@@H]1CC1(Cl)Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000846586882 790272003 /nfs/dbraw/zinc/27/20/03/790272003.db2.gz HFVQOUMIBGOYJM-MRVPVSSYSA-N -1 1 334.159 2.399 20 5 EEBDMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2ccc([N+](=O)[O-])cc2)c1 ZINC001174478952 797778916 /nfs/dbraw/zinc/77/89/16/797778916.db2.gz FIRBJFRGGGDFSJ-UHFFFAOYSA-N -1 1 337.313 2.310 20 5 EEBDMM O=C(NCC1(Nc2ccccc2[N+](=O)[O-])CC1)c1ncccc1[O-] ZINC001110097948 809900053 /nfs/dbraw/zinc/90/00/53/809900053.db2.gz KWSNRWVSTHHDME-UHFFFAOYSA-N -1 1 328.328 2.070 20 5 EEBDMM C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ncc(C(=O)[O-])s1 ZINC001593246485 994453027 /nfs/dbraw/zinc/45/30/27/994453027.db2.gz MCAIMZFLJOIETO-KCJUWKMLSA-N -1 1 337.357 2.134 20 5 EEBDMM CC[C@](C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])OC ZINC000451802690 243269964 /nfs/dbraw/zinc/26/99/64/243269964.db2.gz NEQOVAICYCPPBE-GFCCVEGCSA-N -1 1 336.797 2.342 20 5 EEBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000132901372 533479116 /nfs/dbraw/zinc/47/91/16/533479116.db2.gz QJGRLKIOJMDJPJ-SECBINFHSA-N -1 1 348.808 2.342 20 5 EEBDMM CC[C@@](C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])OC ZINC000451802692 287387594 /nfs/dbraw/zinc/38/75/94/287387594.db2.gz NEQOVAICYCPPBE-LBPRGKRZSA-N -1 1 336.797 2.342 20 5 EEBDMM Cc1cscc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000439045185 315065199 /nfs/dbraw/zinc/06/51/99/315065199.db2.gz WFDLXVTVWYHCSF-UHFFFAOYSA-N -1 1 342.354 2.464 20 5 EEBDMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000267008885 464903972 /nfs/dbraw/zinc/90/39/72/464903972.db2.gz MORMCBUFHDUNII-UHFFFAOYSA-N -1 1 348.384 2.393 20 5 EEBDMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CO2 ZINC000152560444 462547205 /nfs/dbraw/zinc/54/72/05/462547205.db2.gz BLEHQLIWYZUNAU-LBPRGKRZSA-N -1 1 334.353 2.315 20 5 EEBDMM Cc1n[n-]c(=S)n1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000075147976 462687300 /nfs/dbraw/zinc/68/73/00/462687300.db2.gz GOLOWWPNOINFJI-UHFFFAOYSA-N -1 1 341.780 2.241 20 5 EEBDMM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000154304065 462751647 /nfs/dbraw/zinc/75/16/47/462751647.db2.gz HTWNJCNCXSTFOV-UHFFFAOYSA-N -1 1 342.323 2.394 20 5 EEBDMM CCn1c(CCNC(=O)c2cc([N+](=O)[O-])ccc2C)n[n-]c1=S ZINC000067076168 462963483 /nfs/dbraw/zinc/96/34/83/462963483.db2.gz JQKNEJYMPVXTTN-UHFFFAOYSA-N -1 1 335.389 2.150 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCCc2sccc21 ZINC000579542081 468371201 /nfs/dbraw/zinc/37/12/01/468371201.db2.gz ROLHZIKJOWBBAA-JTQLQIEISA-N -1 1 339.398 2.407 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000171207891 463814110 /nfs/dbraw/zinc/81/41/10/463814110.db2.gz DTYPLKRYBNHCPB-AWEZNQCLSA-N -1 1 347.302 2.048 20 5 EEBDMM Cc1cnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000173634910 464296993 /nfs/dbraw/zinc/29/69/93/464296993.db2.gz XRZSZLGXNIUDQA-UHFFFAOYSA-N -1 1 347.805 2.492 20 5 EEBDMM CCn1c(=O)c2cc3ccccc3cc2nc1SCc1nn[n-]n1 ZINC000353189114 465704411 /nfs/dbraw/zinc/70/44/11/465704411.db2.gz WFZLPQPWVXAIGT-UHFFFAOYSA-N -1 1 338.396 2.375 20 5 EEBDMM CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000331218301 465984792 /nfs/dbraw/zinc/98/47/92/465984792.db2.gz HGMHHKKOXPWQBY-MNOVXSKESA-N -1 1 330.410 2.058 20 5 EEBDMM COCC1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC1 ZINC000520253831 468238283 /nfs/dbraw/zinc/23/82/83/468238283.db2.gz BAYKEVAMLRJXBE-UHFFFAOYSA-N -1 1 348.808 2.486 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000597605264 468614742 /nfs/dbraw/zinc/61/47/42/468614742.db2.gz UKJHVIIWEBSNJO-NFAWXSAZSA-N -1 1 349.387 2.241 20 5 EEBDMM CC(C)[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)N1CCOCC1 ZINC000557874474 468657034 /nfs/dbraw/zinc/65/70/34/468657034.db2.gz HVXUZBDJOFQPPV-HNNXBMFYSA-N -1 1 337.376 2.062 20 5 EEBDMM COC(=O)c1ccnc([N-]c2cnn(CC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000598595740 468926648 /nfs/dbraw/zinc/92/66/48/468926648.db2.gz HFXHAKCDYFOJGU-UHFFFAOYSA-N -1 1 345.237 2.279 20 5 EEBDMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000613510284 469727152 /nfs/dbraw/zinc/72/71/52/469727152.db2.gz PNJKXZBEBUQMAN-LLVKDONJSA-N -1 1 346.318 2.161 20 5 EEBDMM O=C(NCc1ccccc1N1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618358679 469975626 /nfs/dbraw/zinc/97/56/26/469975626.db2.gz DFBLAVZBZVXIHU-UHFFFAOYSA-N -1 1 342.355 2.226 20 5 EEBDMM O=C(NCCCOc1ccccc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770116175 577590714 /nfs/dbraw/zinc/59/07/14/577590714.db2.gz RMYCRTUHVIJZOH-UHFFFAOYSA-N -1 1 335.291 2.033 20 5 EEBDMM O=[N+]([O-])c1ccc(NCCc2ccc(O)cc2)cc1-c1nnn[n-]1 ZINC000826498547 607452336 /nfs/dbraw/zinc/45/23/36/607452336.db2.gz ABNSQZMROOVBQM-UHFFFAOYSA-N -1 1 326.316 2.135 20 5 EEBDMM O=[N+]([O-])c1ccc(NCCc2ccc(O)cc2)cc1-c1nn[n-]n1 ZINC000826498547 607452337 /nfs/dbraw/zinc/45/23/37/607452337.db2.gz ABNSQZMROOVBQM-UHFFFAOYSA-N -1 1 326.316 2.135 20 5 EEBDMM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000826039438 604369350 /nfs/dbraw/zinc/36/93/50/604369350.db2.gz STNSSPWZGOOGCK-BONVTDFDSA-N -1 1 344.323 2.492 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823620585 606712771 /nfs/dbraw/zinc/71/27/71/606712771.db2.gz MWHAECXHWWTGQL-DGCLKSJQSA-N -1 1 337.343 2.213 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823620585 606712772 /nfs/dbraw/zinc/71/27/72/606712772.db2.gz MWHAECXHWWTGQL-DGCLKSJQSA-N -1 1 337.343 2.213 20 5 EEBDMM O=C([N-]Cc1nc(C2CC2)no1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778014206 1207421432 /nfs/dbraw/zinc/42/14/32/1207421432.db2.gz PDKWDIKUXISNOB-UHFFFAOYSA-N -1 1 338.270 2.263 20 5 EEBDMM Nc1cc(OCc2ccccn2)nn1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001199815271 1285841933 /nfs/dbraw/zinc/84/19/33/1285841933.db2.gz YCKLYFTVXVMSEK-UHFFFAOYSA-N -1 1 327.300 2.042 20 5 EEBDMM C[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1cccc(Br)n1 ZINC001228144143 1302123083 /nfs/dbraw/zinc/12/30/83/1302123083.db2.gz RZDBMTFYUHWWEW-LURJTMIESA-N -1 1 341.121 2.388 20 5 EEBDMM COc1ccc(OC(C)C)c(COc2nc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001228141921 1302123672 /nfs/dbraw/zinc/12/36/72/1302123672.db2.gz WZMLBKBUVBMKJD-UHFFFAOYSA-N -1 1 335.316 2.465 20 5 EEBDMM Cc1cc(F)cc(C(=O)OCC(=O)c2ccc([O-])cc2O)c1[N+](=O)[O-] ZINC001319475025 1332708330 /nfs/dbraw/zinc/70/83/30/1332708330.db2.gz QBDASORWGQNVMJ-UHFFFAOYSA-N -1 1 349.270 2.493 20 5 EEBDMM CCO[C@@H]1C[C@H](N(C)c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1(C)C ZINC001609238822 1351905074 /nfs/dbraw/zinc/90/50/74/1351905074.db2.gz SOXWQIHSPJCNCX-UONOGXRCSA-N -1 1 346.391 2.415 20 5 EEBDMM CCc1cnc(CN(C)c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])s1 ZINC001609253766 1351910591 /nfs/dbraw/zinc/91/05/91/1351910591.db2.gz NCACZHRSNATNSL-UHFFFAOYSA-N -1 1 345.388 2.430 20 5 EEBDMM CCc1cnc(CN(C)c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])s1 ZINC001609253766 1351910595 /nfs/dbraw/zinc/91/05/95/1351910595.db2.gz NCACZHRSNATNSL-UHFFFAOYSA-N -1 1 345.388 2.430 20 5 EEBDMM CC(C)[C@H]1C[C@@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001589499446 1348996223 /nfs/dbraw/zinc/99/62/23/1348996223.db2.gz PZLRUCAOXCSHKD-CMPLNLGQSA-N -1 1 347.379 2.033 20 5 EEBDMM CC(C)[C@H]1C[C@@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001589499446 1348996225 /nfs/dbraw/zinc/99/62/25/1348996225.db2.gz PZLRUCAOXCSHKD-CMPLNLGQSA-N -1 1 347.379 2.033 20 5 EEBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001592197298 1349603580 /nfs/dbraw/zinc/60/35/80/1349603580.db2.gz HTOYHZRKXPUDEH-UHFFFAOYSA-N -1 1 330.329 2.397 20 5 EEBDMM Cc1nn(Cc2ccc(-c3nnn[n-]3)o2)c2ccc([N+](=O)[O-])cc12 ZINC001592437409 1349631918 /nfs/dbraw/zinc/63/19/18/1349631918.db2.gz FUUBRTZQQPIYOT-UHFFFAOYSA-N -1 1 325.288 2.074 20 5 EEBDMM Cc1nn(Cc2ccc(-c3nn[n-]n3)o2)c2ccc([N+](=O)[O-])cc12 ZINC001592437409 1349631920 /nfs/dbraw/zinc/63/19/20/1349631920.db2.gz FUUBRTZQQPIYOT-UHFFFAOYSA-N -1 1 325.288 2.074 20 5 EEBDMM O=C(c1ccsc1-c1nnn[n-]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001593362120 1349790885 /nfs/dbraw/zinc/79/08/85/1349790885.db2.gz HCCWNJYMGCBXGT-UHFFFAOYSA-N -1 1 342.340 2.039 20 5 EEBDMM 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EEBDMM C[C@H](CN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000820254413 606706122 /nfs/dbraw/zinc/70/61/22/606706122.db2.gz PHCHEDMRVJWELP-LLVKDONJSA-N -1 1 339.359 2.410 20 5 EEBDMM O=[N+]([O-])c1cccc(CN(c2cccc(-c3nnn[n-]3)n2)C2CC2)c1 ZINC000823648329 607175882 /nfs/dbraw/zinc/17/58/82/607175882.db2.gz UUZNAPLNUMALKP-UHFFFAOYSA-N -1 1 337.343 2.339 20 5 EEBDMM O=[N+]([O-])c1cccc(CN(c2cccc(-c3nn[n-]n3)n2)C2CC2)c1 ZINC000823648329 607175883 /nfs/dbraw/zinc/17/58/83/607175883.db2.gz UUZNAPLNUMALKP-UHFFFAOYSA-N -1 1 337.343 2.339 20 5 EEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)cs1 ZINC000119657688 683571689 /nfs/dbraw/zinc/57/16/89/683571689.db2.gz SZUICKWRIFFODO-UHFFFAOYSA-N -1 1 343.342 2.043 20 5 EEBDMM Cc1c([N-]S(=O)(=O)c2cncc(F)c2)c(F)ccc1[N+](=O)[O-] ZINC000800052359 1202202104 /nfs/dbraw/zinc/20/21/04/1202202104.db2.gz SCRCGGUBWBKLNX-UHFFFAOYSA-N -1 1 329.284 2.377 20 5 EEBDMM O=C([N-][C@H](CO)CC(F)(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778422856 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ZINC000193532275 240203081 /nfs/dbraw/zinc/20/30/81/240203081.db2.gz CYAVTVIBGXWYRW-AWEZNQCLSA-N -1 1 347.302 2.048 20 5 EEBDMM O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193588053 240223919 /nfs/dbraw/zinc/22/39/19/240223919.db2.gz YRBVWBBAOHLTSK-CYBMUJFWSA-N -1 1 342.355 2.094 20 5 EEBDMM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000080789611 217333851 /nfs/dbraw/zinc/33/38/51/217333851.db2.gz JXPJYSQEOIEQBB-LBPRGKRZSA-N -1 1 340.357 2.162 20 5 EEBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000186898854 160086763 /nfs/dbraw/zinc/08/67/63/160086763.db2.gz NYMWCTYDWQGXHN-QMMMGPOBSA-N -1 1 327.300 2.063 20 5 EEBDMM Cc1cnc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)s1 ZINC000187133738 160092807 /nfs/dbraw/zinc/09/28/07/160092807.db2.gz SSYORBIEPFXZFI-NSHDSACASA-N -1 1 334.357 2.341 20 5 EEBDMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1)OCO2 ZINC000358885071 164008908 /nfs/dbraw/zinc/00/89/08/164008908.db2.gz 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CC(=O)SCCCCCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000281615384 464521946 /nfs/dbraw/zinc/52/19/46/464521946.db2.gz OXZVYTRFDUSQIL-UHFFFAOYSA-N -1 1 341.389 2.265 20 5 EEBDMM CCn1nccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1F ZINC000282218438 464740748 /nfs/dbraw/zinc/74/07/48/464740748.db2.gz AGDLKEYTODHWHB-UHFFFAOYSA-N -1 1 328.325 2.060 20 5 EEBDMM CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1cccc(F)c1 ZINC000184606470 465006102 /nfs/dbraw/zinc/00/61/02/465006102.db2.gz LODJTAHPLYHHJL-HNNXBMFYSA-N -1 1 347.346 2.472 20 5 EEBDMM O=C1C[C@H](c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CN1c1ccccc1 ZINC000356816171 465556851 /nfs/dbraw/zinc/55/68/51/465556851.db2.gz PHVZMPFGVUTSFA-JTQLQIEISA-N -1 1 339.311 2.493 20 5 EEBDMM CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000356883434 465597889 /nfs/dbraw/zinc/59/78/89/465597889.db2.gz VGEHTTQEQOVPOK-XPTSAGLGSA-N -1 1 349.318 2.341 20 5 EEBDMM Cc1ccc(NC(=O)Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000349858391 466278275 /nfs/dbraw/zinc/27/82/75/466278275.db2.gz HJMZCEDRHJYKQV-UHFFFAOYSA-N -1 1 327.300 2.463 20 5 EEBDMM COC(=O)c1ccc([O-])c(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000436513434 467542925 /nfs/dbraw/zinc/54/29/25/467542925.db2.gz NIAKFPPFTGEPFW-UHFFFAOYSA-N -1 1 346.295 2.105 20 5 EEBDMM Cc1cccc(C)c1CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000531701488 468070275 /nfs/dbraw/zinc/07/02/75/468070275.db2.gz CNGWWUXQNNRNPP-UHFFFAOYSA-N -1 1 335.385 2.128 20 5 EEBDMM COc1cc(S(=O)(=O)[N-]c2cccc(O)c2F)ccc1[N+](=O)[O-] ZINC000534318641 468252284 /nfs/dbraw/zinc/25/22/84/468252284.db2.gz VAQHNJQYRDLVHA-UHFFFAOYSA-N -1 1 342.304 2.249 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC([C@@H]2CCCCO2)CC1 ZINC000598774128 468999933 /nfs/dbraw/zinc/99/99/33/468999933.db2.gz YJMYMJQHVXXWSX-AWEZNQCLSA-N -1 1 335.360 2.117 20 5 EEBDMM C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000610739719 469056443 /nfs/dbraw/zinc/05/64/43/469056443.db2.gz MBQBAXKDUHGVME-UWVGGRQHSA-N -1 1 348.808 2.342 20 5 EEBDMM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610261489 469995828 /nfs/dbraw/zinc/99/58/28/469995828.db2.gz OVOOLSRRGNJKPK-JTQLQIEISA-N -1 1 339.348 2.038 20 5 EEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCOC2(CCC2)C1 ZINC000767853629 577546375 /nfs/dbraw/zinc/54/63/75/577546375.db2.gz CIBJBTYQUBWHIP-JTQLQIEISA-N -1 1 344.364 2.114 20 5 EEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCOC2(CCC2)C1 ZINC000767853630 577546391 /nfs/dbraw/zinc/54/63/91/577546391.db2.gz CIBJBTYQUBWHIP-SNVBAGLBSA-N -1 1 344.364 2.114 20 5 EEBDMM O=[N+]([O-])c1cc(Cl)ccc1OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826498229 607542987 /nfs/dbraw/zinc/54/29/87/607542987.db2.gz MAINIJVHWGTDBN-UHFFFAOYSA-N -1 1 332.707 2.402 20 5 EEBDMM O=[N+]([O-])c1cc(Cl)ccc1OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826498229 607542990 /nfs/dbraw/zinc/54/29/90/607542990.db2.gz MAINIJVHWGTDBN-UHFFFAOYSA-N -1 1 332.707 2.402 20 5 EEBDMM COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821845882 606495313 /nfs/dbraw/zinc/49/53/13/606495313.db2.gz KSWPOZKIZXNLAF-UHFFFAOYSA-N -1 1 346.328 2.097 20 5 EEBDMM COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821845882 606495314 /nfs/dbraw/zinc/49/53/14/606495314.db2.gz KSWPOZKIZXNLAF-UHFFFAOYSA-N -1 1 346.328 2.097 20 5 EEBDMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000823488121 606499622 /nfs/dbraw/zinc/49/96/22/606499622.db2.gz JGRKBAMFIPNWSL-UHFFFAOYSA-N -1 1 342.340 2.039 20 5 EEBDMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000823488121 606499624 /nfs/dbraw/zinc/49/96/24/606499624.db2.gz JGRKBAMFIPNWSL-UHFFFAOYSA-N -1 1 342.340 2.039 20 5 EEBDMM CCS[C@H]1CCCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821457015 606709862 /nfs/dbraw/zinc/70/98/62/606709862.db2.gz TYRGHBUKRKWMLZ-JTQLQIEISA-N -1 1 349.420 2.282 20 5 EEBDMM CCS[C@H]1CCCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821457015 606709864 /nfs/dbraw/zinc/70/98/64/606709864.db2.gz TYRGHBUKRKWMLZ-JTQLQIEISA-N -1 1 349.420 2.282 20 5 EEBDMM Cc1cccc(F)c1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822308838 606713940 /nfs/dbraw/zinc/71/39/40/606713940.db2.gz JRARGAWBPZQJGG-UHFFFAOYSA-N -1 1 329.295 2.230 20 5 EEBDMM Cc1cccc(F)c1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822308838 606713942 /nfs/dbraw/zinc/71/39/42/606713942.db2.gz JRARGAWBPZQJGG-UHFFFAOYSA-N -1 1 329.295 2.230 20 5 EEBDMM C[C@H]1CCCC[C@@H]1OCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820703505 607168467 /nfs/dbraw/zinc/16/84/67/607168467.db2.gz GOBVUWVSJVXTLT-JQWIXIFHSA-N -1 1 347.379 2.177 20 5 EEBDMM C[C@H]1CCCC[C@@H]1OCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820703505 607168469 /nfs/dbraw/zinc/16/84/69/607168469.db2.gz GOBVUWVSJVXTLT-JQWIXIFHSA-N -1 1 347.379 2.177 20 5 EEBDMM O=C(N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1)c1ncccc1[O-] ZINC001059613644 687401262 /nfs/dbraw/zinc/40/12/62/687401262.db2.gz MBUICDTUUBDDTG-TXEJJXNPSA-N -1 1 328.328 2.068 20 5 EEBDMM CC(C)([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1nccs1 ZINC000119777688 1229597227 /nfs/dbraw/zinc/59/72/27/1229597227.db2.gz IHDWNUXMCOANJQ-UHFFFAOYSA-N -1 1 333.416 2.326 20 5 EEBDMM Cn1[n-]cc2c(=NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)ccnc1-2 ZINC000801703339 1236055096 /nfs/dbraw/zinc/05/50/96/1236055096.db2.gz HVVOBYJXPHQAOG-UHFFFAOYSA-N -1 1 331.719 2.156 20 5 EEBDMM Cc1nn(C)c(Cl)c1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074739 1236455918 /nfs/dbraw/zinc/45/59/18/1236455918.db2.gz JQKVLDKVJLHNJY-UHFFFAOYSA-N -1 1 325.708 2.353 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCOC2)cc1F ZINC000867068903 1281698118 /nfs/dbraw/zinc/69/81/18/1281698118.db2.gz CWBFCFVMJCWKBJ-GHMZBOCLSA-N -1 1 346.380 2.136 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCC2CCC2)cc1F ZINC000867110934 1283363188 /nfs/dbraw/zinc/36/31/88/1283363188.db2.gz BJZZHBWMDSCZAA-UHFFFAOYSA-N -1 1 346.380 2.137 20 5 EEBDMM O=c1cccc2oc3cc([O-])c(O[C@H]4CCC[NH2+]C4)cc3c([O-])c1-2 ZINC001218281580 1297622083 /nfs/dbraw/zinc/62/20/83/1297622083.db2.gz IMVNXVIYRWQOMQ-JTQLQIEISA-N -1 1 327.336 2.488 20 5 EEBDMM COCC(=O)c1ccc([O-])cc1O[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001227169094 1301719106 /nfs/dbraw/zinc/71/91/06/1301719106.db2.gz PXICVUYHJZZKAT-MRXNPFEDSA-N -1 1 332.312 2.013 20 5 EEBDMM O=C1[N-]C(=O)[C@@H](Cc2ccc(O[C@@H](C[N+](=O)[O-])C3CC3)cc2)S1 ZINC001229626590 1302900087 /nfs/dbraw/zinc/90/00/87/1302900087.db2.gz TWPVFPILJIRGKA-QWHCGFSZSA-N -1 1 336.369 2.015 20 5 EEBDMM CC(C)(C)c1cnc(NCC[N-]C(=O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001164238626 1321327358 /nfs/dbraw/zinc/32/73/58/1321327358.db2.gz ZAHBQCKMIUXLTD-UHFFFAOYSA-N -1 1 334.298 2.378 20 5 EEBDMM CCCn1cc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])ccc1=O ZINC001331452358 1335016703 /nfs/dbraw/zinc/01/67/03/1335016703.db2.gz MHIXMIUHVLEEIL-UHFFFAOYSA-N -1 1 343.386 2.029 20 5 EEBDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001609468159 1351988821 /nfs/dbraw/zinc/98/88/21/1351988821.db2.gz IFNDZNXITXIDRA-UHFFFAOYSA-N -1 1 328.288 2.237 20 5 EEBDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001609468159 1351988823 /nfs/dbraw/zinc/98/88/23/1351988823.db2.gz IFNDZNXITXIDRA-UHFFFAOYSA-N -1 1 328.288 2.237 20 5 EEBDMM COC(=O)c1cccc([C@@H](NCc2ccccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001610217957 1352188767 /nfs/dbraw/zinc/18/87/67/1352188767.db2.gz KPYSCSCAXWABBD-OAHLLOKOSA-N -1 1 344.323 2.297 20 5 EEBDMM O=[N+]([O-])c1ccc(NCC[C@@H](O)c2ccccc2)cc1-c1nnn[n-]1 ZINC001593478040 1349810690 /nfs/dbraw/zinc/81/06/90/1349810690.db2.gz PPNLOEAZYFEVKE-OAHLLOKOSA-N -1 1 340.343 2.311 20 5 EEBDMM O=[N+]([O-])c1ccc(NCC[C@@H](O)c2ccccc2)cc1-c1nn[n-]n1 ZINC001593478040 1349810694 /nfs/dbraw/zinc/81/06/94/1349810694.db2.gz PPNLOEAZYFEVKE-OAHLLOKOSA-N -1 1 340.343 2.311 20 5 EEBDMM CC(C)C[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603269964 1350676010 /nfs/dbraw/zinc/67/60/10/1350676010.db2.gz HPYYQYINWDHESY-GFCCVEGCSA-N -1 1 332.364 2.026 20 5 EEBDMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@@H](C)S1 ZINC001603941103 1350808643 /nfs/dbraw/zinc/80/86/43/1350808643.db2.gz YNLQDPTYUJIVMJ-RNFRBKRXSA-N -1 1 326.407 2.167 20 5 EEBDMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@@H](C)S1 ZINC001603941103 1350808647 /nfs/dbraw/zinc/80/86/47/1350808647.db2.gz YNLQDPTYUJIVMJ-RNFRBKRXSA-N -1 1 326.407 2.167 20 5 EEBDMM CC[C@H](COCC1CC1)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604039312 1350836224 /nfs/dbraw/zinc/83/62/24/1350836224.db2.gz JEUYLWKCCHLNKQ-LLVKDONJSA-N -1 1 332.364 2.392 20 5 EEBDMM CSCC1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC001605377425 1351148478 /nfs/dbraw/zinc/14/84/78/1351148478.db2.gz UPPGRBPGXLVIAL-UHFFFAOYSA-N -1 1 334.405 2.354 20 5 EEBDMM O=[N+]([O-])c1c(NCc2cn3ccccc3n2)cccc1-c1nnn[n-]1 ZINC001607078278 1351407872 /nfs/dbraw/zinc/40/78/72/1351407872.db2.gz SKWMFGRATLPDHJ-UHFFFAOYSA-N -1 1 336.315 2.035 20 5 EEBDMM O=[N+]([O-])c1c(NCc2cn3ccccc3n2)cccc1-c1nn[n-]n1 ZINC001607078278 1351407875 /nfs/dbraw/zinc/40/78/75/1351407875.db2.gz SKWMFGRATLPDHJ-UHFFFAOYSA-N -1 1 336.315 2.035 20 5 EEBDMM O=[N+]([O-])c1ccccc1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001607085361 1351411733 /nfs/dbraw/zinc/41/17/33/1351411733.db2.gz QOAVKYWHMHGKRE-UHFFFAOYSA-N -1 1 337.752 2.497 20 5 EEBDMM O=[N+]([O-])c1ccccc1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001607085361 1351411734 /nfs/dbraw/zinc/41/17/34/1351411734.db2.gz QOAVKYWHMHGKRE-UHFFFAOYSA-N -1 1 337.752 2.497 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001607088934 1351413381 /nfs/dbraw/zinc/41/33/81/1351413381.db2.gz ZIUMCUKFHDZCNZ-WEDXCCLWSA-N -1 1 336.377 2.206 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001607088934 1351413384 /nfs/dbraw/zinc/41/33/84/1351413384.db2.gz ZIUMCUKFHDZCNZ-WEDXCCLWSA-N -1 1 336.377 2.206 20 5 EEBDMM Cn1ccc([C@H]2CCCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)n1 ZINC001608126344 1351630435 /nfs/dbraw/zinc/63/04/35/1351630435.db2.gz GRCNJUSYNHPWOY-ZDUSSCGKSA-N -1 1 344.371 2.406 20 5 EEBDMM CCOCCCC[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000866543729 1369609821 /nfs/dbraw/zinc/60/98/21/1369609821.db2.gz VKCMARCTZVDKMA-UHFFFAOYSA-N -1 1 334.369 2.137 20 5 EEBDMM COc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C)c1 ZINC000821825005 786899158 /nfs/dbraw/zinc/89/91/58/786899158.db2.gz SIMUGWQAIDPMAM-UHFFFAOYSA-N -1 1 341.331 2.099 20 5 EEBDMM COc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(C)c1 ZINC000821825005 786899165 /nfs/dbraw/zinc/89/91/65/786899165.db2.gz SIMUGWQAIDPMAM-UHFFFAOYSA-N -1 1 341.331 2.099 20 5 EEBDMM O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823431641 787745020 /nfs/dbraw/zinc/74/50/20/787745020.db2.gz UJBDBEIYGAZHGG-UHFFFAOYSA-N -1 1 331.313 2.193 20 5 EEBDMM O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823431641 787745030 /nfs/dbraw/zinc/74/50/30/787745030.db2.gz UJBDBEIYGAZHGG-UHFFFAOYSA-N -1 1 331.313 2.193 20 5 EEBDMM COc1ccc2nc(N)n(-c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2c1 ZINC001176671657 798522771 /nfs/dbraw/zinc/52/27/71/798522771.db2.gz BCLRMOSQLUGHAT-UHFFFAOYSA-N -1 1 328.284 2.223 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCSC1 ZINC000790450427 808720239 /nfs/dbraw/zinc/72/02/39/808720239.db2.gz PBIXMSDOPYYZLE-QMMMGPOBSA-N -1 1 336.822 2.280 20 5 EEBDMM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001599883693 989520758 /nfs/dbraw/zinc/52/07/58/989520758.db2.gz JMDDKSQRYLPMLG-INIZCTEOSA-N -1 1 344.327 2.064 20 5 EEBDMM COC[C@](C)(NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)[O-] ZINC001606791171 1124035184 /nfs/dbraw/zinc/03/51/84/1124035184.db2.gz FTXHWEIZYMJZAX-LBPRGKRZSA-N -1 1 337.159 2.481 20 5 EEBDMM Cc1ccc(O[C@H](C)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000185751193 235740079 /nfs/dbraw/zinc/74/00/79/235740079.db2.gz HKPCDQMPBSALEX-LLVKDONJSA-N -1 1 331.328 2.201 20 5 EEBDMM Cc1csc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000187132835 236127252 /nfs/dbraw/zinc/12/72/52/236127252.db2.gz WNCLFDKJVDMARP-LLVKDONJSA-N -1 1 334.357 2.341 20 5 EEBDMM CN(C)[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000160076153 237229920 /nfs/dbraw/zinc/22/99/20/237229920.db2.gz UCCWDOOAEXHQLJ-HNNXBMFYSA-N -1 1 347.346 2.472 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)CCC=C(C)C)c([N+](=O)[O-])n1 ZINC000451741699 243238887 /nfs/dbraw/zinc/23/88/87/243238887.db2.gz PLEUKEFRKPHPPA-NSHDSACASA-N -1 1 330.410 2.224 20 5 EEBDMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187191024 160095378 /nfs/dbraw/zinc/09/53/78/160095378.db2.gz NSIZEKNKGXJLMS-WDEREUQCSA-N -1 1 325.390 2.442 20 5 EEBDMM O=C([O-])c1cccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000238218194 160229424 /nfs/dbraw/zinc/22/94/24/160229424.db2.gz GCXGMTJLLRMGKR-UHFFFAOYSA-N -1 1 340.295 2.099 20 5 EEBDMM CCC1(CC)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCS1 ZINC000277684853 269171920 /nfs/dbraw/zinc/17/19/20/269171920.db2.gz AFKYJKJANFHELK-UHFFFAOYSA-N -1 1 325.390 2.443 20 5 EEBDMM CC(=O)Nc1ccc([O-])c(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)c1 ZINC000291146256 275275356 /nfs/dbraw/zinc/27/53/56/275275356.db2.gz YWCWURAHXSASGI-UHFFFAOYSA-N -1 1 334.332 2.389 20 5 EEBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C)n(C)n2)cc1SC ZINC000293767770 293289960 /nfs/dbraw/zinc/28/99/60/293289960.db2.gz UXIBRBWROQMOHI-UHFFFAOYSA-N -1 1 337.361 2.015 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1CO ZINC000133990094 304805483 /nfs/dbraw/zinc/80/54/83/304805483.db2.gz XMGCJGBLCUFOEV-GXSJLCMTSA-N -1 1 348.808 2.078 20 5 EEBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccn(C)n1 ZINC000416567895 313260619 /nfs/dbraw/zinc/26/06/19/313260619.db2.gz YHRQISUSAIQUAQ-MRVPVSSYSA-N -1 1 344.780 2.021 20 5 EEBDMM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1c[nH]nc1[N+](=O)[O-] ZINC000564739640 319106650 /nfs/dbraw/zinc/10/66/50/319106650.db2.gz BZOXDTZYKRCFPZ-UHFFFAOYSA-N -1 1 348.319 2.152 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-]CC[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])n1 ZINC000339040963 465043597 /nfs/dbraw/zinc/04/35/97/465043597.db2.gz KFWWDFWVGYCRBM-VXGBXAGGSA-N -1 1 344.437 2.306 20 5 EEBDMM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1c([O-])cccc1F ZINC000089541363 462690633 /nfs/dbraw/zinc/69/06/33/462690633.db2.gz BQPGWKOIZSZDBI-SECBINFHSA-N -1 1 347.302 2.197 20 5 EEBDMM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000121764872 463191465 /nfs/dbraw/zinc/19/14/65/463191465.db2.gz PQOUQUVMVGZRFQ-UHFFFAOYSA-N -1 1 341.323 2.462 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCCO1 ZINC000145432256 463381787 /nfs/dbraw/zinc/38/17/87/463381787.db2.gz DWHHAOKFWQOLBH-SECBINFHSA-N -1 1 334.781 2.096 20 5 EEBDMM CCCCO[C@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1(C)C ZINC000193672280 463725693 /nfs/dbraw/zinc/72/56/93/463725693.db2.gz SHOKIHBAECYEFZ-STQMWFEESA-N -1 1 337.376 2.409 20 5 EEBDMM CCc1cc(=O)[n-]c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000195059714 463984275 /nfs/dbraw/zinc/98/42/75/463984275.db2.gz HHWHDKGVLCERHN-UHFFFAOYSA-N -1 1 348.384 2.280 20 5 EEBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H]1OCCc2sccc21 ZINC000294357868 464476825 /nfs/dbraw/zinc/47/68/25/464476825.db2.gz UWHWREAXUYUZKB-SDBXPKJASA-N -1 1 349.368 2.189 20 5 EEBDMM COc1cccc(C2=CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)c1 ZINC000365786572 466939233 /nfs/dbraw/zinc/93/92/33/466939233.db2.gz HIEMHCCQIKPSEJ-UHFFFAOYSA-N -1 1 341.323 2.243 20 5 EEBDMM Cc1c(CS(=O)(=O)c2nc(C(C)(C)C)n[n-]2)cccc1[N+](=O)[O-] ZINC000424201719 467001788 /nfs/dbraw/zinc/00/17/88/467001788.db2.gz GYVHFNRLJIAIBC-UHFFFAOYSA-N -1 1 338.389 2.293 20 5 EEBDMM Cc1c(CS(=O)(=O)c2n[n-]c(C(C)(C)C)n2)cccc1[N+](=O)[O-] ZINC000424201719 467001794 /nfs/dbraw/zinc/00/17/94/467001794.db2.gz GYVHFNRLJIAIBC-UHFFFAOYSA-N -1 1 338.389 2.293 20 5 EEBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)CCOCC1CC1 ZINC000424202284 467001948 /nfs/dbraw/zinc/00/19/48/467001948.db2.gz ABZLEUVWGLCRBK-UHFFFAOYSA-N -1 1 328.390 2.380 20 5 EEBDMM O=[N+]([O-])c1ccc(-c2noc([N-]Cc3nnc(C4CC4)s3)n2)cc1 ZINC000413583541 467272410 /nfs/dbraw/zinc/27/24/10/467272410.db2.gz PLUSGAQHKVLHKT-UHFFFAOYSA-N -1 1 344.356 2.986 20 5 EEBDMM CCCc1[nH]nc(C(=O)Nc2cccc(C(C)=O)c2[O-])c1[N+](=O)[O-] ZINC000556893501 468597008 /nfs/dbraw/zinc/59/70/08/468597008.db2.gz VMYQMGYFMKFTPS-UHFFFAOYSA-N -1 1 332.316 2.431 20 5 EEBDMM CN(c1ccccc1)[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000598379511 468847604 /nfs/dbraw/zinc/84/76/04/468847604.db2.gz VRCGGZFRMOWEJF-CQSZACIVSA-N -1 1 342.355 2.046 20 5 EEBDMM Cc1cc(C[C@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n[nH]1 ZINC000584353438 468854248 /nfs/dbraw/zinc/85/42/48/468854248.db2.gz YTYBSANMFQQUJO-ZETCQYMHSA-N -1 1 338.751 2.346 20 5 EEBDMM CC(C)c1nc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cs1 ZINC000187064589 528272255 /nfs/dbraw/zinc/27/22/55/528272255.db2.gz ZORWKMHUZXQLTO-UHFFFAOYSA-N -1 1 336.373 2.248 20 5 EEBDMM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768883526 577564982 /nfs/dbraw/zinc/56/49/82/577564982.db2.gz YCUDHIJVVQYNQK-VIFPVBQESA-N -1 1 327.387 2.399 20 5 EEBDMM COc1ccc(NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000769045674 577567906 /nfs/dbraw/zinc/56/79/06/577567906.db2.gz COOJDUFGAHRSGW-UHFFFAOYSA-N -1 1 346.295 2.105 20 5 EEBDMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1[N+](=O)[O-] ZINC000736159544 578183705 /nfs/dbraw/zinc/18/37/05/578183705.db2.gz WBOFOFSVQYVJIO-VIFPVBQESA-N -1 1 340.299 2.088 20 5 EEBDMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1[N+](=O)[O-] ZINC000736159544 578183706 /nfs/dbraw/zinc/18/37/06/578183706.db2.gz WBOFOFSVQYVJIO-VIFPVBQESA-N -1 1 340.299 2.088 20 5 EEBDMM C[C@@H]1CN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C[C@@H]1C(=O)[O-] ZINC000828461560 601815326 /nfs/dbraw/zinc/81/53/26/601815326.db2.gz AIRWBGDRZIOKHV-SCZZXKLOSA-N -1 1 337.357 2.482 20 5 EEBDMM CC(C)[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820038827 606710522 /nfs/dbraw/zinc/71/05/22/606710522.db2.gz SOSGJAPZJQFNQQ-LLVKDONJSA-N -1 1 331.380 2.432 20 5 EEBDMM CC(C)[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820038827 606710524 /nfs/dbraw/zinc/71/05/24/606710524.db2.gz SOSGJAPZJQFNQQ-LLVKDONJSA-N -1 1 331.380 2.432 20 5 EEBDMM O=[N+]([O-])c1cccc([C@H](O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826499726 607874986 /nfs/dbraw/zinc/87/49/86/607874986.db2.gz UWLQGLXSMRMTGD-GFCCVEGCSA-N -1 1 345.290 2.026 20 5 EEBDMM O=[N+]([O-])c1cccc([C@H](O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826499726 607874987 /nfs/dbraw/zinc/87/49/87/607874987.db2.gz UWLQGLXSMRMTGD-GFCCVEGCSA-N -1 1 345.290 2.026 20 5 EEBDMM C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000796107853 685563888 /nfs/dbraw/zinc/56/38/88/685563888.db2.gz NJRQDQXBNYHTJP-VXNVDRBHSA-N -1 1 336.822 2.278 20 5 EEBDMM O=C(N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1)c1ncccc1[O-] ZINC001059201213 683200420 /nfs/dbraw/zinc/20/04/20/683200420.db2.gz VTHPQUBFXFJVMG-XYPYZODXSA-N -1 1 328.328 2.068 20 5 EEBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nccn1C ZINC000851856065 1291891930 /nfs/dbraw/zinc/89/19/30/1291891930.db2.gz GKASSNIPXLZSOT-QMMMGPOBSA-N -1 1 344.780 2.021 20 5 EEBDMM Cc1cccc2nc(CNc3nc(C(=O)[O-])ccc3[N+](=O)[O-])[nH]c21 ZINC001610526269 1352239027 /nfs/dbraw/zinc/23/90/27/1352239027.db2.gz JKECSDVEPRJYAB-UHFFFAOYSA-N -1 1 327.300 2.485 20 5 EEBDMM C[C@@H](c1ccccn1)N(C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590048691 1349129801 /nfs/dbraw/zinc/12/98/01/1349129801.db2.gz CATXFCZZTWCEKN-QMMMGPOBSA-N -1 1 331.361 2.429 20 5 EEBDMM C[C@@H](c1ccccn1)N(C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590048691 1349129805 /nfs/dbraw/zinc/12/98/05/1349129805.db2.gz CATXFCZZTWCEKN-QMMMGPOBSA-N -1 1 331.361 2.429 20 5 EEBDMM O=[N+]([O-])c1cccc(Oc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001593483736 1349813604 /nfs/dbraw/zinc/81/36/04/1349813604.db2.gz GDNGYULMYANWCT-UHFFFAOYSA-N -1 1 328.244 2.475 20 5 EEBDMM O=[N+]([O-])c1cccc(Oc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001593483736 1349813606 /nfs/dbraw/zinc/81/36/06/1349813606.db2.gz GDNGYULMYANWCT-UHFFFAOYSA-N -1 1 328.244 2.475 20 5 EEBDMM O=[N+]([O-])c1cn(C[C@@H]2CCCc3ccccc32)nc1-c1nn[n-]n1 ZINC001593486783 1349814940 /nfs/dbraw/zinc/81/49/40/1349814940.db2.gz LWFKFQPBIXJROA-NSHDSACASA-N -1 1 325.332 2.092 20 5 EEBDMM O=[N+]([O-])c1cn(CC[C@H]2CCc3ccccc32)nc1-c1nn[n-]n1 ZINC001593487104 1349816278 /nfs/dbraw/zinc/81/62/78/1349816278.db2.gz UBCQOQHMQPAVGV-LLVKDONJSA-N -1 1 325.332 2.092 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC1CCC2(COC2)CC1 ZINC001593487686 1349816330 /nfs/dbraw/zinc/81/63/30/1349816330.db2.gz FAHSFVXTCAQKGA-UHFFFAOYSA-N -1 1 336.377 2.208 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC1CCC2(COC2)CC1 ZINC001593487686 1349816331 /nfs/dbraw/zinc/81/63/31/1349816331.db2.gz FAHSFVXTCAQKGA-UHFFFAOYSA-N -1 1 336.377 2.208 20 5 EEBDMM O=C([O-])[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])c2ccccc2O1 ZINC001601848308 1350380164 /nfs/dbraw/zinc/38/01/64/1350380164.db2.gz IQKDFBKJGVJOPP-HNNXBMFYSA-N -1 1 330.296 2.153 20 5 EEBDMM C[C@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccncc1 ZINC001603555974 1350718907 /nfs/dbraw/zinc/71/89/07/1350718907.db2.gz SYOBMGPNCDKNNS-SNVBAGLBSA-N -1 1 325.332 2.386 20 5 EEBDMM C[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccncc1 ZINC001603555974 1350718909 /nfs/dbraw/zinc/71/89/09/1350718909.db2.gz SYOBMGPNCDKNNS-SNVBAGLBSA-N -1 1 325.332 2.386 20 5 EEBDMM O=[N+]([O-])c1cn(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)nc1-c1nn[n-]n1 ZINC001607087058 1351412720 /nfs/dbraw/zinc/41/27/20/1351412720.db2.gz ZGQKXIQSGBNOJU-MWLCHTKSSA-N -1 1 347.285 2.020 20 5 EEBDMM COc1ccc([N-]S(=O)(=O)c2cc(N)ccc2C)cc1[N+](=O)[O-] ZINC001176362491 798441320 /nfs/dbraw/zinc/44/13/20/798441320.db2.gz DNDWXOXYZIPPTR-UHFFFAOYSA-N -1 1 337.357 2.295 20 5 EEBDMM O=C(NCC1(Nc2ccc(F)cc2[N+](=O)[O-])CC1)c1ncccc1[O-] ZINC001110098172 809885467 /nfs/dbraw/zinc/88/54/67/809885467.db2.gz WQEXEBINAZORLN-UHFFFAOYSA-N -1 1 346.318 2.209 20 5 EEBDMM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCCC(=O)[O-] ZINC001588560610 959096343 /nfs/dbraw/zinc/09/63/43/959096343.db2.gz JUODBJVSKJUEGC-VIFPVBQESA-N -1 1 343.767 2.372 20 5 EEBDMM CCOc1cncc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 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O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[C@H]2CC[C@@H](C1)S2 ZINC001607077478 1351407916 /nfs/dbraw/zinc/40/79/16/1351407916.db2.gz VREHQGQGYKONAO-ZJUUUORDSA-N -1 1 332.389 2.249 20 5 EEBDMM O=[N+]([O-])c1ccc(NCc2cccc3c2OCO3)cc1-c1nnn[n-]1 ZINC001607082564 1351410087 /nfs/dbraw/zinc/41/00/87/1351410087.db2.gz QCTGLTNCZGVTIX-UHFFFAOYSA-N -1 1 340.299 2.116 20 5 EEBDMM O=[N+]([O-])c1ccc(NCc2cccc3c2OCO3)cc1-c1nn[n-]n1 ZINC001607082564 1351410088 /nfs/dbraw/zinc/41/00/88/1351410088.db2.gz QCTGLTNCZGVTIX-UHFFFAOYSA-N -1 1 340.299 2.116 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1Nc1cnn2c1CCCC2 ZINC001607088441 1351413583 /nfs/dbraw/zinc/41/35/83/1351413583.db2.gz OIPNYXRHWCGRDI-UHFFFAOYSA-N -1 1 332.349 2.113 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1Nc1cnn2c1CCCC2 ZINC001607088441 1351413584 /nfs/dbraw/zinc/41/35/84/1351413584.db2.gz OIPNYXRHWCGRDI-UHFFFAOYSA-N -1 1 332.349 2.113 20 5 EEBDMM CCOC(=O)C[C@H](C)Sc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590761081 1403900004 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O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000591810801 468525295 /nfs/dbraw/zinc/52/52/95/468525295.db2.gz NRQBHDNTVXSGPX-CQSZACIVSA-N -1 1 347.371 2.117 20 5 EEBDMM C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610261490 469995856 /nfs/dbraw/zinc/99/58/56/469995856.db2.gz OVOOLSRRGNJKPK-SNVBAGLBSA-N -1 1 339.348 2.038 20 5 EEBDMM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000832901972 604598436 /nfs/dbraw/zinc/59/84/36/604598436.db2.gz BAWJMUFWQVFXEC-UHFFFAOYSA-N -1 1 346.295 2.325 20 5 EEBDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000832905826 604739899 /nfs/dbraw/zinc/73/98/99/604739899.db2.gz WQRHHTOVANXLKV-NSHDSACASA-N -1 1 335.360 2.027 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCCC(F)(F)C1 ZINC000823621222 607131759 /nfs/dbraw/zinc/13/17/59/607131759.db2.gz ZTCMECJTKZODLB-ZETCQYMHSA-N -1 1 325.279 2.160 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCCC(F)(F)C1 ZINC000823621222 607131761 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344.371 2.342 20 5 EEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCSC1 ZINC000815021960 1278031767 /nfs/dbraw/zinc/03/17/67/1278031767.db2.gz VUKLFLDBKLFBIC-ZCFIWIBFSA-N -1 1 340.785 2.171 20 5 EEBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CCc2cccnc21 ZINC001226310301 1301347552 /nfs/dbraw/zinc/34/75/52/1301347552.db2.gz OYSPEAIYZURJBS-LLVKDONJSA-N -1 1 345.311 2.333 20 5 EEBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)Cc1ccco1 ZINC001226309368 1301348497 /nfs/dbraw/zinc/34/84/97/1301348497.db2.gz FJUIVPIIJKSLBU-VIFPVBQESA-N -1 1 336.300 2.475 20 5 EEBDMM CN(c1nc([O-])c(CC(=O)Nc2cccc([N+](=O)[O-])c2)s1)C1CC1 ZINC000783681682 1304327459 /nfs/dbraw/zinc/32/74/59/1304327459.db2.gz JYYPRSTULBLNMA-GFCCVEGCSA-N -1 1 348.384 2.016 20 5 EEBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(OC[C@H]3COCCO3)c12 ZINC001234740970 1305016282 /nfs/dbraw/zinc/01/62/82/1305016282.db2.gz CVQSSTPISSHDDB-LLVKDONJSA-N -1 1 344.319 2.152 20 5 EEBDMM CC(=O)[C@@H](C)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234750187 1305018874 /nfs/dbraw/zinc/01/88/74/1305018874.db2.gz HFRFYZQENHXOMX-MRVPVSSYSA-N -1 1 330.292 2.419 20 5 EEBDMM Cc1nc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC001157157207 1318445342 /nfs/dbraw/zinc/44/53/42/1318445342.db2.gz VBNNSZIJQHQBJE-UHFFFAOYSA-N -1 1 349.283 2.383 20 5 EEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](n3ccnc3)C2)c1 ZINC001608914456 1351793018 /nfs/dbraw/zinc/79/30/18/1351793018.db2.gz ROYZGMCLMGJSNL-CQSZACIVSA-N -1 1 330.344 2.327 20 5 EEBDMM C[C@@]1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1(Cl)Cl ZINC001609149507 1351862836 /nfs/dbraw/zinc/86/28/36/1351862836.db2.gz OXZUSSWZOCZAKQ-JTQLQIEISA-N -1 1 344.162 2.166 20 5 EEBDMM C[C@@]1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1(Cl)Cl ZINC001609149507 1351862840 /nfs/dbraw/zinc/86/28/40/1351862840.db2.gz OXZUSSWZOCZAKQ-JTQLQIEISA-N -1 1 344.162 2.166 20 5 EEBDMM Cc1ccc(F)c(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001609424027 1351971201 /nfs/dbraw/zinc/97/12/01/1351971201.db2.gz ILPDTADKLXQFAP-UHFFFAOYSA-N -1 1 343.322 2.254 20 5 EEBDMM Cc1ccc(F)c(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001609424027 1351971203 /nfs/dbraw/zinc/97/12/03/1351971203.db2.gz ILPDTADKLXQFAP-UHFFFAOYSA-N -1 1 343.322 2.254 20 5 EEBDMM O=[N+]([O-])c1cc(NCc2ccc(Cl)nc2)ccc1-c1nn[n-]n1 ZINC001609600870 1352030506 /nfs/dbraw/zinc/03/05/06/1352030506.db2.gz IAFVONNYDVNMKC-UHFFFAOYSA-N -1 1 331.723 2.435 20 5 EEBDMM CC(C)[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001589501188 1348997182 /nfs/dbraw/zinc/99/71/82/1348997182.db2.gz WRFKFXQCSNYABE-WPRPVWTQSA-N -1 1 338.393 2.452 20 5 EEBDMM CC(C)[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001589501188 1348997183 /nfs/dbraw/zinc/99/71/83/1348997183.db2.gz WRFKFXQCSNYABE-WPRPVWTQSA-N -1 1 338.393 2.452 20 5 EEBDMM C[C@H](c1ccc(F)c(Cl)c1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001590040962 1349122794 /nfs/dbraw/zinc/12/27/94/1349122794.db2.gz VCUOTEXKMOULEW-ZCFIWIBFSA-N -1 1 337.702 2.373 20 5 EEBDMM COC1CCC(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001591351480 1349467328 /nfs/dbraw/zinc/46/73/28/1349467328.db2.gz SDGXAAGAUODDMC-UHFFFAOYSA-N -1 1 332.364 2.392 20 5 EEBDMM COC1CCC(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001591351480 1349467334 /nfs/dbraw/zinc/46/73/34/1349467334.db2.gz SDGXAAGAUODDMC-UHFFFAOYSA-N -1 1 332.364 2.392 20 5 EEBDMM C[C@@H](OC(=O)c1coc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC001591732996 1349535807 /nfs/dbraw/zinc/53/58/07/1349535807.db2.gz SUJOWWNVIDSRCA-MRVPVSSYSA-N -1 1 329.272 2.286 20 5 EEBDMM C[C@@H](OC(=O)c1coc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC001591732996 1349535812 /nfs/dbraw/zinc/53/58/12/1349535812.db2.gz SUJOWWNVIDSRCA-MRVPVSSYSA-N -1 1 329.272 2.286 20 5 EEBDMM Cc1cc([C@@H]2CCCN2c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])no1 ZINC001591958367 1349567522 /nfs/dbraw/zinc/56/75/22/1349567522.db2.gz CXKUTCQHJBQUEN-LBPRGKRZSA-N -1 1 341.331 2.413 20 5 EEBDMM Cc1cc([C@@H]2CCCN2c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])no1 ZINC001591958367 1349567529 /nfs/dbraw/zinc/56/75/29/1349567529.db2.gz CXKUTCQHJBQUEN-LBPRGKRZSA-N -1 1 341.331 2.413 20 5 EEBDMM Cc1cc(NC[C@@H]2CCC[C@@H](O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592044615 1349587232 /nfs/dbraw/zinc/58/72/32/1349587232.db2.gz QCBQBCSJAWJKHL-ZYHUDNBSSA-N -1 1 332.364 2.046 20 5 EEBDMM Cc1cc(NC[C@@H]2CCC[C@@H](O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592044615 1349587234 /nfs/dbraw/zinc/58/72/34/1349587234.db2.gz QCBQBCSJAWJKHL-ZYHUDNBSSA-N -1 1 332.364 2.046 20 5 EEBDMM O=[N+]([O-])c1cc(NC[C@H]2CSCCS2)ccc1-c1nn[n-]n1 ZINC001593473750 1349808344 /nfs/dbraw/zinc/80/83/44/1349808344.db2.gz KZIZLIAPACTSMU-VIFPVBQESA-N -1 1 338.418 2.035 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1OCc1nc(-c2nnn[n-]2)cs1 ZINC001593484051 1349814267 /nfs/dbraw/zinc/81/42/67/1349814267.db2.gz QCDKOZKGPONVCQ-UHFFFAOYSA-N -1 1 338.736 2.464 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1OCc1nc(-c2nn[n-]n2)cs1 ZINC001593484051 1349814271 /nfs/dbraw/zinc/81/42/71/1349814271.db2.gz QCDKOZKGPONVCQ-UHFFFAOYSA-N -1 1 338.736 2.464 20 5 EEBDMM O=C([O-])C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001601904377 1350393900 /nfs/dbraw/zinc/39/39/00/1350393900.db2.gz ZXZPODJUPKSIHD-AWEZNQCLSA-N -1 1 348.286 2.385 20 5 EEBDMM C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC001603938605 1350807993 /nfs/dbraw/zinc/80/79/93/1350807993.db2.gz FXMPGEBGISCQGK-SECBINFHSA-N -1 1 331.380 2.230 20 5 EEBDMM C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC001603938605 1350807996 /nfs/dbraw/zinc/80/79/96/1350807996.db2.gz FXMPGEBGISCQGK-SECBINFHSA-N -1 1 331.380 2.230 20 5 EEBDMM COCC[C@@H]1CCCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001605080409 1351074517 /nfs/dbraw/zinc/07/45/17/1351074517.db2.gz DNFBXZNWXSLJQW-LBPRGKRZSA-N -1 1 346.391 2.418 20 5 EEBDMM COCC[C@@H]1CCCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001605080409 1351074521 /nfs/dbraw/zinc/07/45/21/1351074521.db2.gz DNFBXZNWXSLJQW-LBPRGKRZSA-N -1 1 346.391 2.418 20 5 EEBDMM C[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC000835466995 1372626931 /nfs/dbraw/zinc/62/69/31/1372626931.db2.gz MYDFKCBMYSMLKZ-NSHDSACASA-N -1 1 332.312 2.194 20 5 EEBDMM COc1cccc(CN(C)c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001591638050 1403932674 /nfs/dbraw/zinc/93/26/74/1403932674.db2.gz KIIXVAVVNWHYBZ-UHFFFAOYSA-N -1 1 340.343 2.420 20 5 EEBDMM COc1cccc(CN(C)c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001591638050 1403932677 /nfs/dbraw/zinc/93/26/77/1403932677.db2.gz KIIXVAVVNWHYBZ-UHFFFAOYSA-N -1 1 340.343 2.420 20 5 EEBDMM O=C(NCCC[C@H]1CC1(Cl)Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000846664034 790339511 /nfs/dbraw/zinc/33/95/11/790339511.db2.gz AQJWYSZXKGJVHD-ZETCQYMHSA-N -1 1 334.159 2.399 20 5 EEBDMM Cc1cc(N2CCN(CC(=O)[O-])CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000844214381 788933474 /nfs/dbraw/zinc/93/34/74/788933474.db2.gz ZBZNQCFXYRSBGK-UHFFFAOYSA-N -1 1 347.293 2.129 20 5 EEBDMM CC(C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000790417328 808679891 /nfs/dbraw/zinc/67/98/91/808679891.db2.gz YSHFDZDZSPDEER-LSDHHAIUSA-N -1 1 345.355 2.183 20 5 EEBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccncc1Cl ZINC000792035022 809569979 /nfs/dbraw/zinc/56/99/79/809569979.db2.gz MOPSPCANSBBMOG-UHFFFAOYSA-N -1 1 336.687 2.389 20 5 EEBDMM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187211155 236147661 /nfs/dbraw/zinc/14/76/61/236147661.db2.gz WWLWBPMPYJQQBT-NSHDSACASA-N -1 1 331.332 2.013 20 5 EEBDMM O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193525205 240199235 /nfs/dbraw/zinc/19/92/35/240199235.db2.gz VAUDZQZCYBKGEG-HUUCEWRRSA-N -1 1 343.339 2.346 20 5 EEBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000271227940 256222176 /nfs/dbraw/zinc/22/21/76/256222176.db2.gz HVFHSWDUVKURTQ-SCZZXKLOSA-N -1 1 334.781 2.094 20 5 EEBDMM Cc1c(NC(=O)[C@H](C)N2CCC[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000262680644 152305254 /nfs/dbraw/zinc/30/52/54/152305254.db2.gz SQKPDKDEOPPODX-NWDGAFQWSA-N -1 1 335.360 2.027 20 5 EEBDMM O=C(NCc1csc(-c2ccco2)n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189514709 160143269 /nfs/dbraw/zinc/14/32/69/160143269.db2.gz TWKNNIIQDIZYOV-UHFFFAOYSA-N -1 1 346.324 2.342 20 5 EEBDMM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cn[nH]c1-c1ccncc1 ZINC000356292852 163395526 /nfs/dbraw/zinc/39/55/26/163395526.db2.gz JZGPHQLHFMROAQ-UHFFFAOYSA-N -1 1 325.284 2.338 20 5 EEBDMM CCS[C@@H]1CCCC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185807989 276510323 /nfs/dbraw/zinc/51/03/23/276510323.db2.gz VBLIONBDWVCIJP-ZYHUDNBSSA-N -1 1 325.390 2.490 20 5 EEBDMM C[C@H]1CN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cn2)C[C@H](C)O1 ZINC000299134161 294670126 /nfs/dbraw/zinc/67/01/26/294670126.db2.gz ZTMRUUBPLCNFRO-QWRGUYRKSA-N -1 1 345.359 2.184 20 5 EEBDMM COc1ccc([O-])c(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c1 ZINC000350568522 312330694 /nfs/dbraw/zinc/33/06/94/312330694.db2.gz QCCXEWQXLGUQBZ-UHFFFAOYSA-N -1 1 328.284 2.345 20 5 EEBDMM CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525174925 317042888 /nfs/dbraw/zinc/04/28/88/317042888.db2.gz NBXXGTWNDVOUDO-NEPJUHHUSA-N -1 1 327.406 2.483 20 5 EEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](c2ccncc2)C1 ZINC000560527401 318800501 /nfs/dbraw/zinc/80/05/01/318800501.db2.gz KUZPVRNYUKNYFA-GFCCVEGCSA-N -1 1 328.328 2.110 20 5 EEBDMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c[nH]c1=O ZINC000581897468 324338824 /nfs/dbraw/zinc/33/88/24/324338824.db2.gz BTZQWGRNMMKMAU-UHFFFAOYSA-N -1 1 343.748 2.458 20 5 EEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)s1 ZINC000154360025 462758701 /nfs/dbraw/zinc/75/87/01/462758701.db2.gz WOXFYJDQLHLLMR-ZLKJLUDKSA-N -1 1 336.394 2.273 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ncccc1F ZINC000156735463 463062702 /nfs/dbraw/zinc/06/27/02/463062702.db2.gz NKHCWYYUSKIKEO-UHFFFAOYSA-N -1 1 345.739 2.261 20 5 EEBDMM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193728679 463734635 /nfs/dbraw/zinc/73/46/35/463734635.db2.gz IRSUNAJLKYUCSG-QWHCGFSZSA-N -1 1 337.376 2.361 20 5 EEBDMM CCS[C@@H]1CCC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000185798134 463881530 /nfs/dbraw/zinc/88/15/30/463881530.db2.gz VFIHPRHBBLCYNE-WDEREUQCSA-N -1 1 325.390 2.490 20 5 EEBDMM O=[N+]([O-])c1ccc(-c2noc([N-]Cc3nccc(C(F)F)n3)n2)cc1 ZINC000340995913 466498422 /nfs/dbraw/zinc/49/84/22/466498422.db2.gz OEXMRPRRVCACFA-UHFFFAOYSA-N -1 1 348.269 2.985 20 5 EEBDMM Cc1cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)ccc1[N+](=O)[O-] ZINC000332350715 466521702 /nfs/dbraw/zinc/52/17/02/466521702.db2.gz SNZMXMYLGKXMPP-LLVKDONJSA-N -1 1 332.316 2.012 20 5 EEBDMM Cc1cc(S(=O)(=O)[N-]CCC(C)(F)F)c(F)cc1[N+](=O)[O-] ZINC000601423573 468867277 /nfs/dbraw/zinc/86/72/77/468867277.db2.gz CKQNCGILRHODEQ-UHFFFAOYSA-N -1 1 326.296 2.366 20 5 EEBDMM CCc1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000738382229 576359694 /nfs/dbraw/zinc/35/96/94/576359694.db2.gz DGOKTXBRBHYVDB-UHFFFAOYSA-N -1 1 344.780 2.012 20 5 EEBDMM Cc1ccccc1NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769048931 577568013 /nfs/dbraw/zinc/56/80/13/577568013.db2.gz NQBQJWQSLAAXEG-UHFFFAOYSA-N -1 1 330.296 2.404 20 5 EEBDMM CCN1CCC[C@@H](Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737113208 578238624 /nfs/dbraw/zinc/23/86/24/578238624.db2.gz CCJLVROZVLZGCI-SECBINFHSA-N -1 1 338.320 2.097 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826497948 607544910 /nfs/dbraw/zinc/54/49/10/607544910.db2.gz ADUICTSLPDGYLJ-UHFFFAOYSA-N -1 1 332.707 2.402 20 5 EEBDMM O=[N+]([O-])c1ccc(Cl)cc1OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826497948 607544912 /nfs/dbraw/zinc/54/49/12/607544912.db2.gz ADUICTSLPDGYLJ-UHFFFAOYSA-N -1 1 332.707 2.402 20 5 EEBDMM O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1 ZINC000823418543 606137244 /nfs/dbraw/zinc/13/72/44/606137244.db2.gz RNHIQCVUDKTXFV-UHFFFAOYSA-N -1 1 349.303 2.333 20 5 EEBDMM O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)s1 ZINC000823418543 606137245 /nfs/dbraw/zinc/13/72/45/606137245.db2.gz RNHIQCVUDKTXFV-UHFFFAOYSA-N -1 1 349.303 2.333 20 5 EEBDMM Cc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C)c1 ZINC000822238600 606700251 /nfs/dbraw/zinc/70/02/51/606700251.db2.gz NTCNZLRCISHNAH-UHFFFAOYSA-N -1 1 325.332 2.399 20 5 EEBDMM Cc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(C)c1 ZINC000822238600 606700253 /nfs/dbraw/zinc/70/02/53/606700253.db2.gz NTCNZLRCISHNAH-UHFFFAOYSA-N -1 1 325.332 2.399 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@H](c2ccccc2)C1 ZINC000823621179 606706240 /nfs/dbraw/zinc/70/62/40/606706240.db2.gz YFUATKIYZIGGED-GFCCVEGCSA-N -1 1 337.343 2.164 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@H](c2ccccc2)C1 ZINC000823621179 606706242 /nfs/dbraw/zinc/70/62/42/606706242.db2.gz YFUATKIYZIGGED-GFCCVEGCSA-N -1 1 337.343 2.164 20 5 EEBDMM COc1ccccc1CSc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821896823 606711132 /nfs/dbraw/zinc/71/11/32/606711132.db2.gz CADQQWGLLWGFDO-UHFFFAOYSA-N -1 1 344.356 2.471 20 5 EEBDMM COc1ccccc1CSc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821896823 606711133 /nfs/dbraw/zinc/71/11/33/606711133.db2.gz CADQQWGLLWGFDO-UHFFFAOYSA-N -1 1 344.356 2.471 20 5 EEBDMM Cc1ccccc1CN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822356485 607163475 /nfs/dbraw/zinc/16/34/75/607163475.db2.gz UVUNUIBHNYJOGC-UHFFFAOYSA-N -1 1 325.332 2.115 20 5 EEBDMM Cc1ccccc1CN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822356485 607163476 /nfs/dbraw/zinc/16/34/76/607163476.db2.gz UVUNUIBHNYJOGC-UHFFFAOYSA-N -1 1 325.332 2.115 20 5 EEBDMM COC(C)(C)CC[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000867728637 1201667565 /nfs/dbraw/zinc/66/75/65/1201667565.db2.gz WFHWVDZVFJNCIG-UHFFFAOYSA-N -1 1 334.369 2.136 20 5 EEBDMM Cn1[n-]cc2c(=NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)ccnc1-2 ZINC000801703141 1236055731 /nfs/dbraw/zinc/05/57/31/1236055731.db2.gz IQQLOZJPPJXZQZ-UHFFFAOYSA-N -1 1 337.295 2.249 20 5 EEBDMM C[C@@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853986450 1292570305 /nfs/dbraw/zinc/57/03/05/1292570305.db2.gz JDSPCXYFQHXSAG-SCZZXKLOSA-N -1 1 346.309 2.070 20 5 EEBDMM O=c1ncc([N+](=O)[O-])c(O[C@@H]2CCCN(Cc3ccccc3F)C2)[n-]1 ZINC001226335096 1301363415 /nfs/dbraw/zinc/36/34/15/1301363415.db2.gz CSKOWAOHVCUHCO-GFCCVEGCSA-N -1 1 348.334 2.273 20 5 EEBDMM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229136660 1302636352 /nfs/dbraw/zinc/63/63/52/1302636352.db2.gz XLLPJCSKOYEJER-VIFPVBQESA-N -1 1 345.311 2.379 20 5 EEBDMM Cc1cc([O-])c(OCCOCCOCCOC(C)C)cc1[N+](=O)[O-] ZINC001229755134 1302935981 /nfs/dbraw/zinc/93/59/81/1302935981.db2.gz VYTXHAMCRSMPCV-UHFFFAOYSA-N -1 1 343.376 2.446 20 5 EEBDMM COC(=O)[C@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])c1cccc(F)c1 ZINC001231265096 1303711743 /nfs/dbraw/zinc/71/17/43/1303711743.db2.gz XUKXHDGCGGRVKM-CYBMUJFWSA-N -1 1 336.275 2.436 20 5 EEBDMM CN(CCCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)c1ncccc1[O-] ZINC001112081013 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Cc1ccc([N+](=O)[O-])cc1Oc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822270912 606699820 /nfs/dbraw/zinc/69/98/20/606699820.db2.gz COBZDADKTPVWDG-UHFFFAOYSA-N -1 1 343.259 2.179 20 5 EEBDMM Cc1ccc([N+](=O)[O-])cc1Oc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822270912 606699822 /nfs/dbraw/zinc/69/98/22/606699822.db2.gz COBZDADKTPVWDG-UHFFFAOYSA-N -1 1 343.259 2.179 20 5 EEBDMM C[C@H]1c2ccsc2CCN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820827718 607164138 /nfs/dbraw/zinc/16/41/38/607164138.db2.gz WGFGBMYANRAJCN-QMMMGPOBSA-N -1 1 343.372 2.355 20 5 EEBDMM C[C@H]1c2ccsc2CCN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820827718 607164139 /nfs/dbraw/zinc/16/41/39/607164139.db2.gz WGFGBMYANRAJCN-QMMMGPOBSA-N -1 1 343.372 2.355 20 5 EEBDMM Cc1nc(O[C@H](C)c2cc(Br)no2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229380188 1187515551 /nfs/dbraw/zinc/51/55/51/1187515551.db2.gz ZLFNKGLMPATHIH-SCSAIBSYSA-N -1 1 345.109 2.289 20 5 EEBDMM CSC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815016481 1197829486 /nfs/dbraw/zinc/82/94/86/1197829486.db2.gz IKOCSJUPGODRSD-ZCFIWIBFSA-N -1 1 342.801 2.417 20 5 EEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1ccc(F)cc1 ZINC000047670871 1208421281 /nfs/dbraw/zinc/42/12/81/1208421281.db2.gz PTGCCAMSOKUMMS-UHFFFAOYSA-N -1 1 342.323 2.394 20 5 EEBDMM CC[C@@H]1CCCCN1C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780072661 1236362908 /nfs/dbraw/zinc/36/29/08/1236362908.db2.gz RQOJFNVBKDHSJQ-GFCCVEGCSA-N -1 1 336.344 2.248 20 5 EEBDMM CC(C)CN(C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000780073755 1236397558 /nfs/dbraw/zinc/39/75/58/1236397558.db2.gz DSYMFRQXZHNOTC-UHFFFAOYSA-N -1 1 336.344 2.104 20 5 EEBDMM COc1ccc([N+](=O)[O-])c(OS(=O)(=O)c2cnc(C(C)C)[n-]2)c1 ZINC000827953224 1285831431 /nfs/dbraw/zinc/83/14/31/1285831431.db2.gz IMZFEGLAIDKSON-UHFFFAOYSA-N -1 1 341.345 2.218 20 5 EEBDMM COc1ccc([N+](=O)[O-])c(OS(=O)(=O)c2c[n-]c(C(C)C)n2)c1 ZINC000827953224 1285831438 /nfs/dbraw/zinc/83/14/38/1285831438.db2.gz IMZFEGLAIDKSON-UHFFFAOYSA-N -1 1 341.345 2.218 20 5 EEBDMM O=c1cc(OC2CCN(c3ccccc3[N+](=O)[O-])CC2)[nH]c(=S)[n-]1 ZINC001225763668 1301150228 /nfs/dbraw/zinc/15/02/28/1301150228.db2.gz BOVSMSVWCYIPPY-UHFFFAOYSA-N -1 1 348.384 2.427 20 5 EEBDMM O=c1c2cc(O[C@@H]3CCCOC3=O)c([O-])cc2oc2cccc(O)c12 ZINC001227305876 1301773448 /nfs/dbraw/zinc/77/34/48/1301773448.db2.gz BJIKLCRMUPCWRW-CYBMUJFWSA-N -1 1 342.303 2.442 20 5 EEBDMM COCC1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC1 ZINC000832653955 1314691821 /nfs/dbraw/zinc/69/18/21/1314691821.db2.gz HLFHNRLBGIGLOK-UHFFFAOYSA-N -1 1 346.380 2.219 20 5 EEBDMM CC(C)OCCCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603351852 1350693291 /nfs/dbraw/zinc/69/32/91/1350693291.db2.gz KARGGYHKYRNXKY-UHFFFAOYSA-N -1 1 326.382 2.454 20 5 EEBDMM CC(C)OCCCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603351852 1350693300 /nfs/dbraw/zinc/69/33/00/1350693300.db2.gz KARGGYHKYRNXKY-UHFFFAOYSA-N -1 1 326.382 2.454 20 5 EEBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ncc[nH]1 ZINC001309681490 1331638376 /nfs/dbraw/zinc/63/83/76/1331638376.db2.gz WYNSLSMVKJXSIM-ZCFIWIBFSA-N -1 1 348.743 2.150 20 5 EEBDMM COCC1(C)CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC001609318881 1351930943 /nfs/dbraw/zinc/93/09/43/1351930943.db2.gz SKPSLVQGYRINAN-UHFFFAOYSA-N -1 1 332.364 2.028 20 5 EEBDMM O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cccc(-c2nnn[n-]2)n1 ZINC001609567331 1352018507 /nfs/dbraw/zinc/01/85/07/1352018507.db2.gz CHEPIADSSVCCFH-UHFFFAOYSA-N -1 1 345.706 2.076 20 5 EEBDMM O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cccc(-c2nn[n-]n2)n1 ZINC001609567331 1352018511 /nfs/dbraw/zinc/01/85/11/1352018511.db2.gz CHEPIADSSVCCFH-UHFFFAOYSA-N -1 1 345.706 2.076 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1SC[C@H]1CC1(Cl)Cl ZINC001593465094 1349802449 /nfs/dbraw/zinc/80/24/49/1349802449.db2.gz AXXRMQDTPBGOTM-RXMQYKEDSA-N -1 1 347.187 2.456 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1SC[C@H]1CC1(Cl)Cl ZINC001593465094 1349802454 /nfs/dbraw/zinc/80/24/54/1349802454.db2.gz AXXRMQDTPBGOTM-RXMQYKEDSA-N -1 1 347.187 2.456 20 5 EEBDMM O=[N+]([O-])c1c(Nc2cnn(CC3CC3)c2)cccc1-c1nnn[n-]1 ZINC001593469536 1349804734 /nfs/dbraw/zinc/80/47/34/1349804734.db2.gz UTKWJRKVWHAGAJ-UHFFFAOYSA-N -1 1 326.320 2.125 20 5 EEBDMM O=[N+]([O-])c1c(Nc2cnn(CC3CC3)c2)cccc1-c1nn[n-]n1 ZINC001593469536 1349804739 /nfs/dbraw/zinc/80/47/39/1349804739.db2.gz UTKWJRKVWHAGAJ-UHFFFAOYSA-N -1 1 326.320 2.125 20 5 EEBDMM O=[N+]([O-])c1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1-c1nnn[n-]1 ZINC001593478311 1349810234 /nfs/dbraw/zinc/81/02/34/1349810234.db2.gz FZEBWXZRRJEVNV-ZLKJLUDKSA-N -1 1 342.359 2.144 20 5 EEBDMM O=[N+]([O-])c1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1-c1nn[n-]n1 ZINC001593478311 1349810235 /nfs/dbraw/zinc/81/02/35/1349810235.db2.gz FZEBWXZRRJEVNV-ZLKJLUDKSA-N -1 1 342.359 2.144 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1Cc2cccc(O)c2C1 ZINC001593489003 1349815912 /nfs/dbraw/zinc/81/59/12/1349815912.db2.gz RTZVEVVOWUIBNT-MRVPVSSYSA-N -1 1 344.356 2.121 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1Cc2cccc(O)c2C1 ZINC001593489003 1349815917 /nfs/dbraw/zinc/81/59/17/1349815917.db2.gz RTZVEVVOWUIBNT-MRVPVSSYSA-N -1 1 344.356 2.121 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCCc1cccc(O)c1 ZINC001593489086 1349817113 /nfs/dbraw/zinc/81/71/13/1349817113.db2.gz VFORUGJADZMUEQ-UHFFFAOYSA-N -1 1 332.345 2.197 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCCc1cccc(O)c1 ZINC001593489086 1349817114 /nfs/dbraw/zinc/81/71/14/1349817114.db2.gz VFORUGJADZMUEQ-UHFFFAOYSA-N -1 1 332.345 2.197 20 5 EEBDMM O=C([O-])[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001601689179 1350338217 /nfs/dbraw/zinc/33/82/17/1350338217.db2.gz JRHMYXAMTHKDTC-OPRDCNLKSA-N -1 1 333.218 2.040 20 5 EEBDMM O=C([O-])c1cc(Oc2nc(Cl)nc3nc[nH]c32)ccc1[N+](=O)[O-] ZINC001602290288 1350486744 /nfs/dbraw/zinc/48/67/44/1350486744.db2.gz LCGCOISOMUOCSI-UHFFFAOYSA-N -1 1 335.663 2.405 20 5 EEBDMM CC(C)[C@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCCO1 ZINC001603249383 1350671818 /nfs/dbraw/zinc/67/18/18/1350671818.db2.gz OIRWRYGMQBBLKV-CYBMUJFWSA-N -1 1 332.364 2.026 20 5 EEBDMM CC(C)[C@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCO1 ZINC001603249383 1350671823 /nfs/dbraw/zinc/67/18/23/1350671823.db2.gz OIRWRYGMQBBLKV-CYBMUJFWSA-N -1 1 332.364 2.026 20 5 EEBDMM CCC1CCC(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)(C(=O)[O-])CC1 ZINC001605156181 1351089984 /nfs/dbraw/zinc/08/99/84/1351089984.db2.gz PIQQOQAKJIVPPZ-UHFFFAOYSA-N -1 1 336.344 2.454 20 5 EEBDMM Nc1cc(N2CC[C@H](C3CCCC3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606451138 1351304658 /nfs/dbraw/zinc/30/46/58/1351304658.db2.gz MLTRVLIJWCOGQV-NSHDSACASA-N -1 1 343.391 2.374 20 5 EEBDMM Nc1cc(N2CC[C@H](C3CCCC3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606451138 1351304663 /nfs/dbraw/zinc/30/46/63/1351304663.db2.gz MLTRVLIJWCOGQV-NSHDSACASA-N -1 1 343.391 2.374 20 5 EEBDMM CO[C@H]1CC[C@@H](C)N(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001606728248 1351347965 /nfs/dbraw/zinc/34/79/65/1351347965.db2.gz ASGARWJRUKYTOE-YPMHNXCESA-N -1 1 338.360 2.058 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001607077341 1351407106 /nfs/dbraw/zinc/40/71/06/1351407106.db2.gz RJPUTHUAIWMGJJ-BWVDBABLSA-N -1 1 337.290 2.016 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001607077341 1351407107 /nfs/dbraw/zinc/40/71/07/1351407107.db2.gz RJPUTHUAIWMGJJ-BWVDBABLSA-N -1 1 337.290 2.016 20 5 EEBDMM O=[N+]([O-])c1c(NC[C@H]2CCc3cccnc32)cccc1-c1nnn[n-]1 ZINC001607077648 1351407544 /nfs/dbraw/zinc/40/75/44/1351407544.db2.gz BUYACVUSEIEKNO-LLVKDONJSA-N -1 1 337.343 2.312 20 5 EEBDMM O=[N+]([O-])c1c(NC[C@H]2CCc3cccnc32)cccc1-c1nn[n-]n1 ZINC001607077648 1351407547 /nfs/dbraw/zinc/40/75/47/1351407547.db2.gz BUYACVUSEIEKNO-LLVKDONJSA-N -1 1 337.343 2.312 20 5 EEBDMM O=C(NCC1(Nc2ccc([N+](=O)[O-])cc2)CCC1)c1ncccc1[O-] ZINC001111788207 1371253838 /nfs/dbraw/zinc/25/38/38/1371253838.db2.gz GEBOGJCBVQXEQG-UHFFFAOYSA-N -1 1 342.355 2.460 20 5 EEBDMM CC[C@@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@H](CC)CO1 ZINC001590523236 1403883705 /nfs/dbraw/zinc/88/37/05/1403883705.db2.gz VVQZNROGKWFMIN-ZYHUDNBSSA-N -1 1 332.364 2.169 20 5 EEBDMM Cc1cc(N2CCC[C@@H]2[C@H]2CCCO2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592006427 1403981921 /nfs/dbraw/zinc/98/19/21/1403981921.db2.gz IEQIRCDONUSLAO-ZIAGYGMSSA-N -1 1 344.375 2.231 20 5 EEBDMM Cc1cc(N2CCC[C@@H]2[C@H]2CCCO2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592006427 1403981937 /nfs/dbraw/zinc/98/19/37/1403981937.db2.gz IEQIRCDONUSLAO-ZIAGYGMSSA-N -1 1 344.375 2.231 20 5 EEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCSC(F)(F)F)c(F)c1 ZINC000055243837 789095594 /nfs/dbraw/zinc/09/55/94/789095594.db2.gz LFALYYXDEMPHNG-UHFFFAOYSA-N -1 1 348.299 2.265 20 5 EEBDMM O=C(NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1)c1ncccc1[O-] ZINC001110098221 809886368 /nfs/dbraw/zinc/88/63/68/809886368.db2.gz ZSGTWYVNHITSSQ-UHFFFAOYSA-N -1 1 328.328 2.070 20 5 EEBDMM C[C@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C(=O)[O-] ZINC001589355803 954141544 /nfs/dbraw/zinc/14/15/44/954141544.db2.gz XKEZSYCXWJWCSN-IINYFYTJSA-N -1 1 336.344 2.004 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C)CC2)c([N+](=O)[O-])n1 ZINC000442778984 242112625 /nfs/dbraw/zinc/11/26/25/242112625.db2.gz LEYVQJXJZKAOFE-MNOVXSKESA-N -1 1 330.410 2.058 20 5 EEBDMM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000452063543 243339732 /nfs/dbraw/zinc/33/97/32/243339732.db2.gz WVADFMYWYXTQLA-ZYHUDNBSSA-N -1 1 348.808 2.484 20 5 EEBDMM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2nnc[nH]2)cc1 ZINC000186257913 160064236 /nfs/dbraw/zinc/06/42/36/160064236.db2.gz BAZQSESSLGTSSU-UHFFFAOYSA-N -1 1 325.284 2.338 20 5 EEBDMM O=C(NCc1coc(-c2cccs2)n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187021794 160090508 /nfs/dbraw/zinc/09/05/08/160090508.db2.gz IZYYGNCCQGXYKR-UHFFFAOYSA-N -1 1 346.324 2.342 20 5 EEBDMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187191055 160095529 /nfs/dbraw/zinc/09/55/29/160095529.db2.gz NSIZEKNKGXJLMS-GHMZBOCLSA-N -1 1 325.390 2.442 20 5 EEBDMM C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193974453 160189518 /nfs/dbraw/zinc/18/95/18/160189518.db2.gz QDUWFFBCZPMIDJ-GXFFZTMASA-N -1 1 328.328 2.314 20 5 EEBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000364897446 165311246 /nfs/dbraw/zinc/31/12/46/165311246.db2.gz NWZPHXZARYZPES-UHFFFAOYSA-N -1 1 328.328 2.190 20 5 EEBDMM CC(C)n1ncc2c1[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CCC2 ZINC000368864507 275795228 /nfs/dbraw/zinc/79/52/28/275795228.db2.gz ZMAZPYAKKRJPQQ-CYBMUJFWSA-N -1 1 345.359 2.280 20 5 EEBDMM Cc1cccc(O[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000440137134 315114239 /nfs/dbraw/zinc/11/42/39/315114239.db2.gz RBZKFVJDUWIGIE-NSHDSACASA-N -1 1 331.328 2.201 20 5 EEBDMM O=C(NCc1ncc(-c2ccccc2)o1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000521208649 316899657 /nfs/dbraw/zinc/89/96/57/316899657.db2.gz ZDWYNCWYKFFYLH-UHFFFAOYSA-N -1 1 340.295 2.280 20 5 EEBDMM C[C@@]1(C(=O)[O-])CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000575755230 320111960 /nfs/dbraw/zinc/11/19/60/320111960.db2.gz FEVRGBKKGBTDCA-MRXNPFEDSA-N -1 1 346.343 2.332 20 5 EEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(F)cc(F)c2)s1 ZINC000064245377 462690974 /nfs/dbraw/zinc/69/09/74/462690974.db2.gz HUXZAOMIHIGTKY-UHFFFAOYSA-N -1 1 334.325 2.413 20 5 EEBDMM CC(C)(C)c1csc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000104928807 463430977 /nfs/dbraw/zinc/43/09/77/463430977.db2.gz RXKHSCHRUAFLTE-UHFFFAOYSA-N -1 1 336.373 2.379 20 5 EEBDMM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000125445420 463545149 /nfs/dbraw/zinc/54/51/49/463545149.db2.gz KWINKPJJBIZGCC-UHFFFAOYSA-N -1 1 329.238 2.303 20 5 EEBDMM CCCCO[C@@H]1C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1(C)C ZINC000193672296 463725965 /nfs/dbraw/zinc/72/59/65/463725965.db2.gz SHOKIHBAECYEFZ-CHWSQXEVSA-N -1 1 337.376 2.409 20 5 EEBDMM O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194014016 463771137 /nfs/dbraw/zinc/77/11/37/463771137.db2.gz DVJGLOGLPZMYGM-HIFRSBDPSA-N -1 1 343.339 2.346 20 5 EEBDMM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000195234410 464022033 /nfs/dbraw/zinc/02/20/33/464022033.db2.gz XMIVCYPHSOSDRF-UHFFFAOYSA-N -1 1 328.296 2.352 20 5 EEBDMM COC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000175359183 464533253 /nfs/dbraw/zinc/53/32/53/464533253.db2.gz LJQBWOKPARDYFG-NSHDSACASA-N -1 1 340.357 2.162 20 5 EEBDMM O=C([O-])c1cc(NS(=O)(=O)c2ccsc2)cc([N+](=O)[O-])c1 ZINC000349082776 465957100 /nfs/dbraw/zinc/95/71/00/465957100.db2.gz LCODXIOBLYSPMT-UHFFFAOYSA-N -1 1 328.327 2.155 20 5 EEBDMM CC(C)(C)OC1CC(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000432263961 467226524 /nfs/dbraw/zinc/22/65/24/467226524.db2.gz JLYXNAPBULADMO-UHFFFAOYSA-N -1 1 337.376 2.409 20 5 EEBDMM CC(C)(C)c1nnc(C[N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[nH]1 ZINC000413419136 467238737 /nfs/dbraw/zinc/23/87/37/467238737.db2.gz SCJMHLPMABKRAD-UHFFFAOYSA-N -1 1 343.347 2.673 20 5 EEBDMM C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1C(=O)[O-] ZINC000593748484 469122058 /nfs/dbraw/zinc/12/20/58/469122058.db2.gz NWYKSKMCXLKNFN-MFKMUULPSA-N -1 1 346.343 2.187 20 5 EEBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000773316159 577332782 /nfs/dbraw/zinc/33/27/82/577332782.db2.gz SUGQIULYTNGORU-VVEJJEBESA-N -1 1 344.327 2.103 20 5 EEBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NC1CCCCC1 ZINC000769044799 577567894 /nfs/dbraw/zinc/56/78/94/577567894.db2.gz DLLUYGZMBUHLGM-SNVBAGLBSA-N -1 1 336.344 2.295 20 5 EEBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000769050995 577568097 /nfs/dbraw/zinc/56/80/97/577568097.db2.gz ZPNVCFUJFKOWJN-NSHDSACASA-N -1 1 344.323 2.162 20 5 EEBDMM CCNC(=O)c1ccc(OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000770424757 577596029 /nfs/dbraw/zinc/59/60/29/577596029.db2.gz CSAJUKWBVQTHBY-UHFFFAOYSA-N -1 1 330.296 2.269 20 5 EEBDMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000752981215 577779513 /nfs/dbraw/zinc/77/95/13/577779513.db2.gz YMFDUVZSQPOILD-UHFFFAOYSA-N -1 1 338.707 2.400 20 5 EEBDMM CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCOCC1 ZINC000746054975 577921664 /nfs/dbraw/zinc/92/16/64/577921664.db2.gz VABILOQIFILWEV-LBPRGKRZSA-N -1 1 346.380 2.217 20 5 EEBDMM CC(C)Cn1ccnc1CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000824280622 607451387 /nfs/dbraw/zinc/45/13/87/607451387.db2.gz QPQZLKKBEAYFBG-UHFFFAOYSA-N -1 1 342.363 2.240 20 5 EEBDMM CC(C)Cn1ccnc1CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000824280622 607451389 /nfs/dbraw/zinc/45/13/89/607451389.db2.gz QPQZLKKBEAYFBG-UHFFFAOYSA-N -1 1 342.363 2.240 20 5 EEBDMM O=[N+]([O-])c1ccc(OCc2ccnc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826499304 607541541 /nfs/dbraw/zinc/54/15/41/607541541.db2.gz DJEBGVAHXVXKON-UHFFFAOYSA-N -1 1 332.707 2.402 20 5 EEBDMM O=[N+]([O-])c1ccc(OCc2ccnc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826499304 607541543 /nfs/dbraw/zinc/54/15/43/607541543.db2.gz DJEBGVAHXVXKON-UHFFFAOYSA-N -1 1 332.707 2.402 20 5 EEBDMM CCc1cc(CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000833670876 605036392 /nfs/dbraw/zinc/03/63/92/605036392.db2.gz DPOXZZPJMUGSMZ-UHFFFAOYSA-N -1 1 335.276 2.099 20 5 EEBDMM O=[N+]([O-])c1cc(NC[C@H](O)c2ccccc2F)ccc1-c1nn[n-]n1 ZINC000823634486 606645066 /nfs/dbraw/zinc/64/50/66/606645066.db2.gz HRRYOBDLCRGTTD-AWEZNQCLSA-N -1 1 344.306 2.060 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C[C@@H]2CCOC2)cc1F ZINC000866957112 689640432 /nfs/dbraw/zinc/64/04/32/689640432.db2.gz BLHPPJPEELLTJX-QWRGUYRKSA-N -1 1 346.380 2.136 20 5 EEBDMM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])O1 ZINC000841534463 1187116579 /nfs/dbraw/zinc/11/65/79/1187116579.db2.gz KEYROTJVTCRYFL-SCZZXKLOSA-N -1 1 334.781 2.094 20 5 EEBDMM COc1cc(C)ccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119966625 1229638414 /nfs/dbraw/zinc/63/84/14/1229638414.db2.gz GAXCGBDBDPARFK-UHFFFAOYSA-N -1 1 342.398 2.452 20 5 EEBDMM CN(C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000780074526 1236595533 /nfs/dbraw/zinc/59/55/33/1236595533.db2.gz FWXFAQOAYXKVRI-UHFFFAOYSA-N -1 1 336.344 2.248 20 5 EEBDMM O=c1[n-][nH]c2ccc(-c3nc(-c4ncc(F)cc4[N+](=O)[O-])no3)cc12 ZINC001217473943 1297442323 /nfs/dbraw/zinc/44/23/23/1297442323.db2.gz OYOFJGXTLNJVCU-UHFFFAOYSA-N -1 1 342.246 2.428 20 5 EEBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(O[C@@H]3CCCOC3=O)c12 ZINC001234742518 1305016086 /nfs/dbraw/zinc/01/60/86/1305016086.db2.gz QNDRNXARYMQGPJ-GFCCVEGCSA-N -1 1 342.303 2.442 20 5 EEBDMM CO[C@H](C)COc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234750757 1305019819 /nfs/dbraw/zinc/01/98/19/1305019819.db2.gz OGJCKNVWQKEEQQ-MRVPVSSYSA-N -1 1 332.308 2.477 20 5 EEBDMM CC(C)CC[C@@](C)(O)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609094409 1351840520 /nfs/dbraw/zinc/84/05/20/1351840520.db2.gz XDPOOTFTRSWAGQ-OAHLLOKOSA-N -1 1 334.380 2.374 20 5 EEBDMM CC(C)CC[C@@](C)(O)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609094409 1351840521 /nfs/dbraw/zinc/84/05/21/1351840521.db2.gz XDPOOTFTRSWAGQ-OAHLLOKOSA-N -1 1 334.380 2.374 20 5 EEBDMM Cc1csc([C@@H](C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC001609442200 1351979584 /nfs/dbraw/zinc/97/95/84/1351979584.db2.gz WFXAPAPHLVCYSW-ZETCQYMHSA-N -1 1 346.376 2.150 20 5 EEBDMM Cc1csc([C@@H](C)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC001609442200 1351979586 /nfs/dbraw/zinc/97/95/86/1351979586.db2.gz WFXAPAPHLVCYSW-ZETCQYMHSA-N -1 1 346.376 2.150 20 5 EEBDMM O=[N+]([O-])c1cccc(CNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC001609602743 1352031434 /nfs/dbraw/zinc/03/14/34/1352031434.db2.gz GJVQMYVNVPWCMS-UHFFFAOYSA-N -1 1 337.752 2.497 20 5 EEBDMM O=[N+]([O-])c1cccc(CNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC001609602743 1352031439 /nfs/dbraw/zinc/03/14/39/1352031439.db2.gz GJVQMYVNVPWCMS-UHFFFAOYSA-N -1 1 337.752 2.497 20 5 EEBDMM O=Cc1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1Cl ZINC001609591517 1352028857 /nfs/dbraw/zinc/02/88/57/1352028857.db2.gz GGVGRTVOEMRPDI-UHFFFAOYSA-N -1 1 346.690 2.428 20 5 EEBDMM O=Cc1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1Cl ZINC001609591517 1352028862 /nfs/dbraw/zinc/02/88/62/1352028862.db2.gz GGVGRTVOEMRPDI-UHFFFAOYSA-N -1 1 346.690 2.428 20 5 EEBDMM C[C@@]1(C(=O)[O-])CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC001609811127 1352091351 /nfs/dbraw/zinc/09/13/51/1352091351.db2.gz KGSZNZHEOYXCFC-MRXNPFEDSA-N -1 1 336.344 2.148 20 5 EEBDMM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(O)c2)cc1[N+](=O)[O-] ZINC001610336644 1352207396 /nfs/dbraw/zinc/20/73/96/1352207396.db2.gz XZIZJJYOSGGUSF-HNNXBMFYSA-N -1 1 332.312 2.225 20 5 EEBDMM CC(F)(F)CCCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589910522 1349061378 /nfs/dbraw/zinc/06/13/78/1349061378.db2.gz OBNZYSMYSLBJAA-UHFFFAOYSA-N -1 1 327.295 2.204 20 5 EEBDMM CC(F)(F)CCCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589910522 1349061382 /nfs/dbraw/zinc/06/13/82/1349061382.db2.gz OBNZYSMYSLBJAA-UHFFFAOYSA-N -1 1 327.295 2.204 20 5 EEBDMM C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC2(CCCC2)O1 ZINC001590315442 1349261687 /nfs/dbraw/zinc/26/16/87/1349261687.db2.gz MGAVBIDUNLUZHS-NSHDSACASA-N -1 1 344.375 2.313 20 5 EEBDMM C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC2(CCCC2)O1 ZINC001590315442 1349261690 /nfs/dbraw/zinc/26/16/90/1349261690.db2.gz MGAVBIDUNLUZHS-NSHDSACASA-N -1 1 344.375 2.313 20 5 EEBDMM Cc1cc(NC[C@@H]2CCC[C@H](O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592044613 1349586916 /nfs/dbraw/zinc/58/69/16/1349586916.db2.gz QCBQBCSJAWJKHL-PWSUYJOCSA-N -1 1 332.364 2.046 20 5 EEBDMM Cc1cc(NC[C@@H]2CCC[C@H](O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592044613 1349586918 /nfs/dbraw/zinc/58/69/18/1349586918.db2.gz QCBQBCSJAWJKHL-PWSUYJOCSA-N -1 1 332.364 2.046 20 5 EEBDMM Nc1cc(NCc2cccc(F)c2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759592 1349713655 /nfs/dbraw/zinc/71/36/55/1349713655.db2.gz SAWVVJRTXYMGRY-UHFFFAOYSA-N -1 1 329.295 2.108 20 5 EEBDMM Nc1cc(NCc2cccc(F)c2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759592 1349713657 /nfs/dbraw/zinc/71/36/57/1349713657.db2.gz SAWVVJRTXYMGRY-UHFFFAOYSA-N -1 1 329.295 2.108 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCCc1ccc(O)cc1 ZINC001593488939 1349816262 /nfs/dbraw/zinc/81/62/62/1349816262.db2.gz PCHGZOOUHXRHIA-UHFFFAOYSA-N -1 1 332.345 2.197 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCCc1ccc(O)cc1 ZINC001593488939 1349816265 /nfs/dbraw/zinc/81/62/65/1349816265.db2.gz PCHGZOOUHXRHIA-UHFFFAOYSA-N -1 1 332.345 2.197 20 5 EEBDMM O=C([O-])CC1(NCc2cccc([N+](=O)[O-])c2Br)CC1 ZINC001601936342 1350401027 /nfs/dbraw/zinc/40/10/27/1350401027.db2.gz USAUNVVJPXEPGS-UHFFFAOYSA-N -1 1 329.150 2.454 20 5 EEBDMM CC1(C)[C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@@H]2CCO[C@@H]21 ZINC001603757421 1350759288 /nfs/dbraw/zinc/75/92/88/1350759288.db2.gz NXQKFQUQEXXYJI-UHTWSYAYSA-N -1 1 330.348 2.000 20 5 EEBDMM CO[C@@]1(C)CCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001605015322 1351055725 /nfs/dbraw/zinc/05/57/25/1351055725.db2.gz JYUNSSNSJZGMBX-HNNXBMFYSA-N -1 1 332.364 2.170 20 5 EEBDMM CO[C@@]1(C)CCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001605015322 1351055730 /nfs/dbraw/zinc/05/57/30/1351055730.db2.gz JYUNSSNSJZGMBX-HNNXBMFYSA-N -1 1 332.364 2.170 20 5 EEBDMM O=[N+]([O-])c1c(NCc2cn3ccsc3n2)cccc1-c1nn[n-]n1 ZINC001607078093 1351407595 /nfs/dbraw/zinc/40/75/95/1351407595.db2.gz JQTWNDQJJHWCDZ-UHFFFAOYSA-N -1 1 342.344 2.096 20 5 EEBDMM CS[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815025911 1367795261 /nfs/dbraw/zinc/79/52/61/1367795261.db2.gz JRSNRDNSEGLJIT-LURJTMIESA-N -1 1 342.801 2.417 20 5 EEBDMM Cc1ccc([N+](=O)[O-])c(NC2([P@](=O)([O-])O)Cc3ccccc3C2)n1 ZINC001167936214 780999561 /nfs/dbraw/zinc/99/95/61/780999561.db2.gz IYULKMUXOQDGLX-UHFFFAOYSA-N -1 1 349.283 2.383 20 5 EEBDMM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](C(=O)[O-])C1 ZINC000818075646 785177475 /nfs/dbraw/zinc/17/74/75/785177475.db2.gz FMOZXJCERYAATO-ONGXEEELSA-N -1 1 332.316 2.112 20 5 EEBDMM CC[C@@]1(C(=O)[O-])CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001573822654 960977384 /nfs/dbraw/zinc/97/73/84/960977384.db2.gz PFLKOFABCMCCNC-YVEFUNNKSA-N -1 1 349.387 2.499 20 5 EEBDMM CC(C)(C(=O)[O-])N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001589631697 987540999 /nfs/dbraw/zinc/54/09/99/987540999.db2.gz WZICUFKEXSUNDW-UHFFFAOYSA-N -1 1 327.768 2.233 20 5 EEBDMM COc1ccc(C[C@H](C)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193764374 240302645 /nfs/dbraw/zinc/30/26/45/240302645.db2.gz IKJKSBRKEJSMNV-NSHDSACASA-N -1 1 345.355 2.313 20 5 EEBDMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C12CCC2 ZINC000193727047 240285659 /nfs/dbraw/zinc/28/56/59/240285659.db2.gz OFYFLJZNSKEOIN-CHWSQXEVSA-N -1 1 335.360 2.115 20 5 EEBDMM Cc1nc(C)n(Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)n1 ZINC000427146515 241380772 /nfs/dbraw/zinc/38/07/72/241380772.db2.gz FYSMLFAXXGLIAF-UHFFFAOYSA-N -1 1 340.343 2.432 20 5 EEBDMM Cn1c(C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n[n-]c1=S ZINC000078536018 217070296 /nfs/dbraw/zinc/07/02/96/217070296.db2.gz KRSORUPGCRZMKX-UHFFFAOYSA-N -1 1 347.400 2.406 20 5 EEBDMM COCCC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000152761969 533210160 /nfs/dbraw/zinc/21/01/60/533210160.db2.gz VRPYTQVTTRDSMW-UHFFFAOYSA-N -1 1 348.808 2.343 20 5 EEBDMM COCCN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(OC)c(OC)c1 ZINC000267611691 256072495 /nfs/dbraw/zinc/07/24/95/256072495.db2.gz RZSMIXSWGBRUQL-UHFFFAOYSA-N -1 1 349.343 2.233 20 5 EEBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1nnc(/C=C/c2ccco2)s1 ZINC000130135776 292368425 /nfs/dbraw/zinc/36/84/25/292368425.db2.gz ZFWNHLXFNGFFPW-SNAWJCMRSA-N -1 1 346.328 2.196 20 5 EEBDMM Cc1nc(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[n-]c(=O)c1C ZINC000346720866 161395660 /nfs/dbraw/zinc/39/56/60/161395660.db2.gz GCRBRONKNZDPOF-UHFFFAOYSA-N -1 1 348.384 2.462 20 5 EEBDMM Cc1cc(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)ccc1[N+](=O)[O-] ZINC000360240270 164264879 /nfs/dbraw/zinc/26/48/79/164264879.db2.gz DUOIJDTWUGFMPN-UHFFFAOYSA-N -1 1 336.373 2.165 20 5 EEBDMM CN(Cc1ccccc1)C1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000287975653 275011525 /nfs/dbraw/zinc/01/15/25/275011525.db2.gz AEHBRIDTAQBZBZ-UHFFFAOYSA-N -1 1 341.367 2.257 20 5 EEBDMM CCOC1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC1 ZINC000292666059 275462393 /nfs/dbraw/zinc/46/23/93/275462393.db2.gz ASPPIQXKJROMGP-UHFFFAOYSA-N -1 1 346.380 2.362 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])n1 ZINC000425234902 314363160 /nfs/dbraw/zinc/36/31/60/314363160.db2.gz ICNJGUAFYSEFSB-NWDGAFQWSA-N -1 1 342.421 2.058 20 5 EEBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC000516315000 316553133 /nfs/dbraw/zinc/55/31/33/316553133.db2.gz GHJNETXEGLRNIJ-NSHDSACASA-N -1 1 345.359 2.283 20 5 EEBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000574156494 320000965 /nfs/dbraw/zinc/00/09/65/320000965.db2.gz ARPBEGOFRMZPOU-NWDGAFQWSA-N -1 1 335.360 2.027 20 5 EEBDMM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000063878129 462680734 /nfs/dbraw/zinc/68/07/34/462680734.db2.gz SBGJTWQWYLKHOI-UHFFFAOYSA-N -1 1 349.368 2.111 20 5 EEBDMM C[C@@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000156099211 462979637 /nfs/dbraw/zinc/97/96/37/462979637.db2.gz OLLJUFDKXWJZFY-LBPRGKRZSA-N -1 1 334.781 2.096 20 5 EEBDMM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1nccs1 ZINC000186680977 464048545 /nfs/dbraw/zinc/04/85/45/464048545.db2.gz OLPPHEXPYJCFTK-QMMMGPOBSA-N -1 1 345.377 2.272 20 5 EEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCC[C@@H]1CCO ZINC000188910962 464393168 /nfs/dbraw/zinc/39/31/68/464393168.db2.gz GIFNRKWGUPAKJT-KOLCDFICSA-N -1 1 348.808 2.078 20 5 EEBDMM O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000348775369 465783161 /nfs/dbraw/zinc/78/31/61/465783161.db2.gz YUDZWQVVYPJFCH-IUODEOHRSA-N -1 1 343.339 2.203 20 5 EEBDMM O=c1[n-]nc(C2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)o1 ZINC000367361351 466289241 /nfs/dbraw/zinc/28/92/41/466289241.db2.gz DSDIYYLGSOJFPO-UHFFFAOYSA-N -1 1 325.712 2.116 20 5 EEBDMM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000338725344 466336737 /nfs/dbraw/zinc/33/67/37/466336737.db2.gz KIPFKAMMOWXDTE-ZJUUUORDSA-N -1 1 348.808 2.484 20 5 EEBDMM C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000338725335 466337855 /nfs/dbraw/zinc/33/78/55/466337855.db2.gz KIPFKAMMOWXDTE-NXEZZACHSA-N -1 1 348.808 2.484 20 5 EEBDMM O=C(NCCc1ccc2ccccc2n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000340815746 466356493 /nfs/dbraw/zinc/35/64/93/466356493.db2.gz HDYVIRHERIOIOW-UHFFFAOYSA-N -1 1 338.323 2.216 20 5 EEBDMM CCc1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1[N+](=O)[O-] ZINC000332380315 466535334 /nfs/dbraw/zinc/53/53/34/466535334.db2.gz WUXFYPGLMYZCKQ-LBPRGKRZSA-N -1 1 346.343 2.266 20 5 EEBDMM CC(C)CSCCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000549864904 468201038 /nfs/dbraw/zinc/20/10/38/468201038.db2.gz KTQAHOKRGGKGIK-UHFFFAOYSA-N -1 1 333.435 2.047 20 5 EEBDMM CCC(O)(CC)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598751116 468986979 /nfs/dbraw/zinc/98/69/79/468986979.db2.gz WRUSWRAIOIIPMR-UHFFFAOYSA-N -1 1 325.365 2.003 20 5 EEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000598773166 468998580 /nfs/dbraw/zinc/99/85/80/468998580.db2.gz JWXMTDPXOYRGGA-RISCZKNCSA-N -1 1 335.360 2.117 20 5 EEBDMM CC(C)N(CCC(=O)[O-])Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000593746218 469120697 /nfs/dbraw/zinc/12/06/97/469120697.db2.gz IEPOHJKVLQIQHN-UHFFFAOYSA-N -1 1 334.332 2.330 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCCOc2ccccc21 ZINC000610262298 469996362 /nfs/dbraw/zinc/99/63/62/469996362.db2.gz APPYYQKGDARBQM-GFCCVEGCSA-N -1 1 349.368 2.182 20 5 EEBDMM O=[N+]([O-])c1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000738359042 578010696 /nfs/dbraw/zinc/01/06/96/578010696.db2.gz ISGXJXQZTGJQNT-UHFFFAOYSA-N -1 1 348.326 2.330 20 5 EEBDMM O=[N+]([O-])c1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000738359042 578010697 /nfs/dbraw/zinc/01/06/97/578010697.db2.gz ISGXJXQZTGJQNT-UHFFFAOYSA-N -1 1 348.326 2.330 20 5 EEBDMM Cc1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1C(=O)[O-] ZINC000738381747 578011930 /nfs/dbraw/zinc/01/19/30/578011930.db2.gz GFXPREBLHNIULK-LLVKDONJSA-N -1 1 346.343 2.276 20 5 EEBDMM CCc1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[nH]n1 ZINC000738391936 576364322 /nfs/dbraw/zinc/36/43/22/576364322.db2.gz QMMNIYYNJDLUIE-UHFFFAOYSA-N -1 1 344.780 2.012 20 5 EEBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1N1C(=O)CCC1=O ZINC000732966022 577198723 /nfs/dbraw/zinc/19/87/23/577198723.db2.gz RUSXZBDUOIKRSK-UHFFFAOYSA-N -1 1 342.311 2.137 20 5 EEBDMM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768864482 577564526 /nfs/dbraw/zinc/56/45/26/577564526.db2.gz DIQPKMWKQABQCF-UHFFFAOYSA-N -1 1 346.317 2.294 20 5 EEBDMM COC(=O)[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000769046602 577567963 /nfs/dbraw/zinc/56/79/63/577567963.db2.gz GLLLBWBBPMNHGJ-AWEZNQCLSA-N -1 1 331.280 2.372 20 5 EEBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1CCCCCC1 ZINC000769049964 577568128 /nfs/dbraw/zinc/56/81/28/577568128.db2.gz YRZCPDNVOMJAER-LLVKDONJSA-N -1 1 336.344 2.248 20 5 EEBDMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000736157724 578183546 /nfs/dbraw/zinc/18/35/46/578183546.db2.gz LJZDCCOEMDCGGQ-VIFPVBQESA-N -1 1 340.299 2.088 20 5 EEBDMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000736157724 578183547 /nfs/dbraw/zinc/18/35/47/578183547.db2.gz LJZDCCOEMDCGGQ-VIFPVBQESA-N -1 1 340.299 2.088 20 5 EEBDMM COc1cccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000194332242 1211160423 /nfs/dbraw/zinc/16/04/23/1211160423.db2.gz ITZRLSUEUADMPH-UHFFFAOYSA-N -1 1 340.332 2.221 20 5 EEBDMM COC(=O)c1ccc(C(=O)OCc2cc([N+](=O)[O-])ccc2OC)[n-]1 ZINC000796344886 1213854300 /nfs/dbraw/zinc/85/43/00/1213854300.db2.gz LWNGVLIJLNDPRU-UHFFFAOYSA-N -1 1 334.284 2.075 20 5 EEBDMM Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC001211193079 1295737581 /nfs/dbraw/zinc/73/75/81/1295737581.db2.gz YDFPECFTZQNAMF-UHFFFAOYSA-N -1 1 325.321 2.425 20 5 EEBDMM CCOC(=O)[C@H](C)[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C(F)(F)F ZINC001225662259 1301115648 /nfs/dbraw/zinc/11/56/48/1301115648.db2.gz RYFSKJZBZJXELZ-HZGVNTEJSA-N -1 1 338.238 2.204 20 5 EEBDMM CCOC(=O)[C@H](C)[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])C(F)(F)F ZINC001225662259 1301115653 /nfs/dbraw/zinc/11/56/53/1301115653.db2.gz RYFSKJZBZJXELZ-HZGVNTEJSA-N -1 1 338.238 2.204 20 5 EEBDMM CCOC(=O)N1CCC(Oc2nc(C)cc([O-])c2[N+](=O)[O-])CC1 ZINC001231259218 1303707258 /nfs/dbraw/zinc/70/72/58/1303707258.db2.gz HQJQOLZOPGMEMT-UHFFFAOYSA-N -1 1 325.321 2.004 20 5 EEBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(O[C@@H]3COC[C@H]3F)c12 ZINC001234745164 1305017662 /nfs/dbraw/zinc/01/76/62/1305017662.db2.gz RJTHAOHOZKZRBS-IAQYHMDHSA-N -1 1 332.283 2.473 20 5 EEBDMM CO[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CC(C)C ZINC000841570903 1315580080 /nfs/dbraw/zinc/58/00/80/1315580080.db2.gz MRZJQGKESCWYFM-SNVBAGLBSA-N -1 1 334.369 2.073 20 5 EEBDMM Cc1cc(NCc2ccnc(-c3nnn[n-]3)c2)c(F)cc1[N+](=O)[O-] ZINC001605740373 1351220845 /nfs/dbraw/zinc/22/08/45/1351220845.db2.gz VUVUOPLSGGQTKN-UHFFFAOYSA-N -1 1 329.295 2.230 20 5 EEBDMM Cc1cc(NCc2ccnc(-c3nn[n-]n3)c2)c(F)cc1[N+](=O)[O-] ZINC001605740373 1351220847 /nfs/dbraw/zinc/22/08/47/1351220847.db2.gz VUVUOPLSGGQTKN-UHFFFAOYSA-N -1 1 329.295 2.230 20 5 EEBDMM O=C(COC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc([O-])cc1O ZINC001321666078 1333140342 /nfs/dbraw/zinc/14/03/42/1333140342.db2.gz ASKWLFXUSXUHOP-UHFFFAOYSA-N -1 1 335.243 2.185 20 5 EEBDMM CC(C)(C)[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001609074391 1351830990 /nfs/dbraw/zinc/83/09/90/1351830990.db2.gz NPIDJGBMFLFOEO-SNVBAGLBSA-N -1 1 331.380 2.432 20 5 EEBDMM CC(C)(C)[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001609074391 1351830994 /nfs/dbraw/zinc/83/09/94/1351830994.db2.gz NPIDJGBMFLFOEO-SNVBAGLBSA-N -1 1 331.380 2.432 20 5 EEBDMM CC(C)(C)[C@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCO1 ZINC001609075051 1351831707 /nfs/dbraw/zinc/83/17/07/1351831707.db2.gz NEZHUQLDXUSZOR-CYBMUJFWSA-N -1 1 332.364 2.026 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC[C@]2(CCCOC2)C1 ZINC001609599733 1352030309 /nfs/dbraw/zinc/03/03/09/1352030309.db2.gz YFXGLPJWIACQGG-INIZCTEOSA-N -1 1 344.375 2.172 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC[C@]2(CCCOC2)C1 ZINC001609599733 1352030314 /nfs/dbraw/zinc/03/03/14/1352030314.db2.gz YFXGLPJWIACQGG-INIZCTEOSA-N -1 1 344.375 2.172 20 5 EEBDMM O=[N+]([O-])c1ccc(NCCCC2CCOCC2)cc1-c1nnn[n-]1 ZINC001609602249 1352031987 /nfs/dbraw/zinc/03/19/87/1352031987.db2.gz UEMBNFYEMOLUIO-UHFFFAOYSA-N -1 1 332.364 2.394 20 5 EEBDMM O=[N+]([O-])c1ccc(NCCCC2CCOCC2)cc1-c1nn[n-]n1 ZINC001609602249 1352031988 /nfs/dbraw/zinc/03/19/88/1352031988.db2.gz UEMBNFYEMOLUIO-UHFFFAOYSA-N -1 1 332.364 2.394 20 5 EEBDMM C[C@@H](CC(=O)OC(C)(C)C)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589794048 1349044376 /nfs/dbraw/zinc/04/43/76/1349044376.db2.gz GGRBTVMXTIAVJV-VIFPVBQESA-N -1 1 348.363 2.307 20 5 EEBDMM C[C@@H](CC(=O)OC(C)(C)C)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589794048 1349044384 /nfs/dbraw/zinc/04/43/84/1349044384.db2.gz GGRBTVMXTIAVJV-VIFPVBQESA-N -1 1 348.363 2.307 20 5 EEBDMM Cc1ccc2ccccc2c1Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001592206506 1349609317 /nfs/dbraw/zinc/60/93/17/1349609317.db2.gz KKIIXWAHHBXOGR-UHFFFAOYSA-N -1 1 335.327 2.481 20 5 EEBDMM O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(F)c1 ZINC001602406333 1350512565 /nfs/dbraw/zinc/51/25/65/1350512565.db2.gz GLNZEZLNNIJIHR-UHFFFAOYSA-N -1 1 340.288 2.233 20 5 EEBDMM COCC1CCC(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC001605073038 1351072505 /nfs/dbraw/zinc/07/25/05/1351072505.db2.gz UFZXFTYNUHHGSD-UHFFFAOYSA-N -1 1 332.364 2.392 20 5 EEBDMM Cc1nsc(N(C)CCc2cccc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC001606140244 1351278172 /nfs/dbraw/zinc/27/81/72/1351278172.db2.gz JUTSQBLJELWICZ-UHFFFAOYSA-N -1 1 345.388 2.219 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC1([C@@H]2CCCO2)CCC1 ZINC001607085670 1351411705 /nfs/dbraw/zinc/41/17/05/1351411705.db2.gz JIYPGKNOVUGLIX-JTQLQIEISA-N -1 1 336.377 2.350 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC1([C@@H]2CCCO2)CCC1 ZINC001607085670 1351411707 /nfs/dbraw/zinc/41/17/07/1351411707.db2.gz JIYPGKNOVUGLIX-JTQLQIEISA-N -1 1 336.377 2.350 20 5 EEBDMM Cc1ccc([N+](=O)[O-])c(N(C)CCN(C)C(=O)c2ncccc2[O-])c1 ZINC001105376592 781075801 /nfs/dbraw/zinc/07/58/01/781075801.db2.gz XVOYQOIBGQWMGH-UHFFFAOYSA-N -1 1 344.371 2.212 20 5 EEBDMM O=C(NC/C=C\CNc1ccc([N+](=O)[O-])cc1F)c1ncccc1[O-] ZINC001107139384 785987309 /nfs/dbraw/zinc/98/73/09/785987309.db2.gz LDGVQYURBMKZNY-UPHRSURJSA-N -1 1 346.318 2.233 20 5 EEBDMM C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000846011462 790021977 /nfs/dbraw/zinc/02/19/77/790021977.db2.gz XQQBFKCHGJEANV-VIFPVBQESA-N -1 1 348.808 2.342 20 5 EEBDMM CCS(=O)(=O)CCCCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000789069887 807825996 /nfs/dbraw/zinc/82/59/96/807825996.db2.gz CRMOJWBPYRWRAQ-UHFFFAOYSA-N -1 1 345.373 2.062 20 5 EEBDMM C[C@H](NC(=O)N=c1ccnc2n(C)[n-]cc1-2)c1cccc([N+](=O)[O-])c1 ZINC000806481685 811893115 /nfs/dbraw/zinc/89/31/15/811893115.db2.gz NHIXKIQMQCDGEI-JTQLQIEISA-N -1 1 340.343 2.133 20 5 EEBDMM O=C([O-])c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1F ZINC000427311176 241403589 /nfs/dbraw/zinc/40/35/89/241403589.db2.gz AGPHRELPHRGEAL-UHFFFAOYSA-N -1 1 346.317 2.294 20 5 EEBDMM CC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000451685293 243206116 /nfs/dbraw/zinc/20/61/16/243206116.db2.gz XDYDILBHCYGKBX-NEPJUHHUSA-N -1 1 344.437 2.306 20 5 EEBDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000267102128 256027265 /nfs/dbraw/zinc/02/72/65/256027265.db2.gz LXGTYCDBUSVDJC-UHFFFAOYSA-N -1 1 348.384 2.093 20 5 EEBDMM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000273445627 256297212 /nfs/dbraw/zinc/29/72/12/256297212.db2.gz CDBKKJDNKBVHMA-WDEREUQCSA-N -1 1 346.380 2.217 20 5 EEBDMM Cn1c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)ccc1[N+](=O)[O-] ZINC000357674591 153281988 /nfs/dbraw/zinc/28/19/88/153281988.db2.gz KJNSYAROCIFFME-UHFFFAOYSA-N -1 1 327.300 2.281 20 5 EEBDMM Cc1cc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cc([N+](=O)[O-])c1F ZINC000288619500 275076694 /nfs/dbraw/zinc/07/66/94/275076694.db2.gz MBRKOURNBMVXDD-LURJTMIESA-N -1 1 330.259 2.271 20 5 EEBDMM CCC(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000289763950 275146676 /nfs/dbraw/zinc/14/66/76/275146676.db2.gz HEWLLESRZWOYGD-UHFFFAOYSA-N -1 1 341.172 2.159 20 5 EEBDMM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000416536536 313249584 /nfs/dbraw/zinc/24/95/84/313249584.db2.gz PXUNYOAYGRSRRB-DTWKUNHWSA-N -1 1 334.781 2.094 20 5 EEBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000416627772 313278571 /nfs/dbraw/zinc/27/85/71/313278571.db2.gz FNWWQIVMWJLYJG-MNOVXSKESA-N -1 1 344.437 2.304 20 5 EEBDMM CCOc1ccc2c(c1)CCN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000434441409 314838654 /nfs/dbraw/zinc/83/86/54/314838654.db2.gz PUHNEADOKUFKIS-UHFFFAOYSA-N -1 1 343.339 2.293 20 5 EEBDMM CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C12CCCC2 ZINC000440725031 315147545 /nfs/dbraw/zinc/14/75/45/315147545.db2.gz CXXNZWSIKDNZRR-QWHCGFSZSA-N -1 1 335.360 2.163 20 5 EEBDMM O=C(N[C@H]1CCCOc2ccc(F)cc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000507468972 316380689 /nfs/dbraw/zinc/38/06/89/316380689.db2.gz PGBDFLHEXRSDIN-ZDUSSCGKSA-N -1 1 347.302 2.478 20 5 EEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCOC1CCCCCC1 ZINC000525702104 317069026 /nfs/dbraw/zinc/06/90/26/317069026.db2.gz FLHSEPIIUPVOCQ-UHFFFAOYSA-N -1 1 343.405 2.008 20 5 EEBDMM COc1ccccc1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000133276341 462914147 /nfs/dbraw/zinc/91/41/47/462914147.db2.gz PZYCWKZCOSFJKM-LLVKDONJSA-N -1 1 343.339 2.334 20 5 EEBDMM CCOCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000144709042 463378621 /nfs/dbraw/zinc/37/86/21/463378621.db2.gz YELFJZPBQNEVSU-UHFFFAOYSA-N -1 1 343.188 2.216 20 5 EEBDMM O=C(NC[C@H]1CCC2(CCCCC2)O1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000276746886 463741995 /nfs/dbraw/zinc/74/19/95/463741995.db2.gz PAJWZSHXCHBUBM-GFCCVEGCSA-N -1 1 335.360 2.307 20 5 EEBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 ZINC000294450568 464504002 /nfs/dbraw/zinc/50/40/02/464504002.db2.gz ZQBGOMGNLZTRFP-SDBXPKJASA-N -1 1 349.368 2.189 20 5 EEBDMM CCC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1nn[n-]n1 ZINC000268171930 464954819 /nfs/dbraw/zinc/95/48/19/464954819.db2.gz JYCZQWZSQVAEDR-JTQLQIEISA-N -1 1 330.304 2.125 20 5 EEBDMM O=C(Nc1ccccc1-c1nnc[nH]1)c1cccc([N+](=O)[O-])c1[O-] ZINC000371401458 465773072 /nfs/dbraw/zinc/77/30/72/465773072.db2.gz PDHFGGTUVWTQPA-UHFFFAOYSA-N -1 1 325.284 2.338 20 5 EEBDMM CCNC(=O)N1CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc21 ZINC000362603142 465872015 /nfs/dbraw/zinc/87/20/15/465872015.db2.gz WYCSCBGUUQBQJY-UHFFFAOYSA-N -1 1 343.343 2.267 20 5 EEBDMM CC(C)Oc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000354237438 466406370 /nfs/dbraw/zinc/40/63/70/466406370.db2.gz OIUAXMXUMNROBI-UHFFFAOYSA-N -1 1 331.328 2.413 20 5 EEBDMM Cc1ccc(C(C)(C)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc1 ZINC000600307649 468528321 /nfs/dbraw/zinc/52/83/21/468528321.db2.gz GIHAUNMZXYCFBP-UHFFFAOYSA-N -1 1 330.344 2.106 20 5 EEBDMM CCN1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000563179743 469189615 /nfs/dbraw/zinc/18/96/15/469189615.db2.gz DSXNNPKJBABRRY-UHFFFAOYSA-N -1 1 327.768 2.122 20 5 EEBDMM O=C([N-]c1nnc(C=Cc2ccco2)s1)c1c[nH]nc1[N+](=O)[O-] ZINC000619789701 469683120 /nfs/dbraw/zinc/68/31/20/469683120.db2.gz BVWNULZJCXEFKX-ONEGZZNKSA-N -1 1 332.301 2.185 20 5 EEBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774938674 577423897 /nfs/dbraw/zinc/42/38/97/577423897.db2.gz VWDIUBJCQJGTMW-UHFFFAOYSA-N -1 1 334.250 2.129 20 5 EEBDMM CC(C)(C)c1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)[nH]n1 ZINC000768862241 577564452 /nfs/dbraw/zinc/56/44/52/577564452.db2.gz JNSUQBQZAYEFJL-UHFFFAOYSA-N -1 1 330.391 2.478 20 5 EEBDMM O=C([O-])[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000739501693 578055749 /nfs/dbraw/zinc/05/57/49/578055749.db2.gz YIGXPYXEVHATQM-OAHLLOKOSA-N -1 1 344.323 2.377 20 5 EEBDMM Cc1n[n-]cc1S(=O)(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000735675753 578163270 /nfs/dbraw/zinc/16/32/70/578163270.db2.gz NZHVDXGHHJTIIY-UHFFFAOYSA-N -1 1 331.737 2.356 20 5 EEBDMM O=C([O-])C=Cc1ccc(N[C@@H]2CCc3[nH]cnc3C2)c([N+](=O)[O-])c1 ZINC000833196820 604810727 /nfs/dbraw/zinc/81/07/27/604810727.db2.gz FCJMMDIHRQZSKA-WPPTZLTKSA-N -1 1 328.328 2.385 20 5 EEBDMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC000822255333 606495991 /nfs/dbraw/zinc/49/59/91/606495991.db2.gz ZDMUQIGNUZIOHZ-UHFFFAOYSA-N -1 1 330.329 2.397 20 5 EEBDMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC000822255333 606495993 /nfs/dbraw/zinc/49/59/93/606495993.db2.gz ZDMUQIGNUZIOHZ-UHFFFAOYSA-N -1 1 330.329 2.397 20 5 EEBDMM Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)c1 ZINC001059196880 683179709 /nfs/dbraw/zinc/17/97/09/683179709.db2.gz MIPNJBMKZIRTPV-HAQNSBGRSA-N -1 1 342.355 2.377 20 5 EEBDMM Cc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)nc1C ZINC000841542389 1187127876 /nfs/dbraw/zinc/12/78/76/1187127876.db2.gz GXWXDKBULRVQPK-UHFFFAOYSA-N -1 1 327.387 2.147 20 5 EEBDMM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815048259 1197840231 /nfs/dbraw/zinc/84/02/31/1197840231.db2.gz OOLYENOOSGKKGA-RNFRBKRXSA-N -1 1 340.760 2.089 20 5 EEBDMM O=C(OCc1nc(-c2ccccn2)no1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074867 1236450569 /nfs/dbraw/zinc/45/05/69/1236450569.db2.gz LICPCVKTUSKOJZ-UHFFFAOYSA-N -1 1 342.267 2.102 20 5 EEBDMM O=C(NC1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ncccc1[O-] ZINC001057861514 1248011787 /nfs/dbraw/zinc/01/17/87/1248011787.db2.gz ABEHIWFTFNVNSB-UHFFFAOYSA-N -1 1 342.355 2.094 20 5 EEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2CSC2)c(Cl)cc1Cl ZINC000921869145 1277948173 /nfs/dbraw/zinc/94/81/73/1277948173.db2.gz YVRFUPOTOBUHAL-UHFFFAOYSA-N -1 1 343.213 2.295 20 5 EEBDMM CCOC(=O)N1CCC[C@@H](Oc2nc(C)cc([O-])c2[N+](=O)[O-])C1 ZINC001231261282 1303709465 /nfs/dbraw/zinc/70/94/65/1303709465.db2.gz ZXAJNGOMTXSMLP-SNVBAGLBSA-N -1 1 325.321 2.004 20 5 EEBDMM CC(=O)[C@@H](C)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234125636 1304751969 /nfs/dbraw/zinc/75/19/69/1304751969.db2.gz VEWYGUJAWLAJHW-MRVPVSSYSA-N -1 1 330.292 2.419 20 5 EEBDMM CCN1CC(Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234748192 1305018944 /nfs/dbraw/zinc/01/89/44/1305018944.db2.gz QNLWSEGGHSDWIL-UHFFFAOYSA-N -1 1 327.336 2.440 20 5 EEBDMM Cc1c([N+](=O)[O-])ccc(F)c1NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001600059719 1349963223 /nfs/dbraw/zinc/96/32/23/1349963223.db2.gz UQRDLOWSGCAPHR-UHFFFAOYSA-N -1 1 344.276 2.134 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001609599460 1352029945 /nfs/dbraw/zinc/02/99/45/1352029945.db2.gz FCENYSRWNCUVFL-MNOVXSKESA-N -1 1 329.364 2.186 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001609599460 1352029952 /nfs/dbraw/zinc/02/99/52/1352029952.db2.gz FCENYSRWNCUVFL-MNOVXSKESA-N -1 1 329.364 2.186 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1Cc2ccc(O)cc2C1 ZINC001582804866 1344792928 /nfs/dbraw/zinc/79/29/28/1344792928.db2.gz PCBBCGOFKLFAJD-UHFFFAOYSA-N -1 1 330.329 2.062 20 5 EEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1Cc2ccc(O)cc2C1 ZINC001582804866 1344792932 /nfs/dbraw/zinc/79/29/32/1344792932.db2.gz PCBBCGOFKLFAJD-UHFFFAOYSA-N -1 1 330.329 2.062 20 5 EEBDMM CC(C)[C@@H](CO)[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C(C)C ZINC001589460303 1348992180 /nfs/dbraw/zinc/99/21/80/1348992180.db2.gz OCNCVEKQPKAPOL-HIFRSBDPSA-N -1 1 348.407 2.476 20 5 EEBDMM CC1(C)[C@@H](CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1(F)F ZINC001590075929 1349139378 /nfs/dbraw/zinc/13/93/78/1349139378.db2.gz FVPASLBFYWZYMF-SECBINFHSA-N -1 1 339.306 2.060 20 5 EEBDMM CC1(C)[C@@H](CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1(F)F ZINC001590075929 1349139386 /nfs/dbraw/zinc/13/93/86/1349139386.db2.gz FVPASLBFYWZYMF-SECBINFHSA-N -1 1 339.306 2.060 20 5 EEBDMM COCCC1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCC1 ZINC001591401310 1349481714 /nfs/dbraw/zinc/48/17/14/1349481714.db2.gz SMSNOENHVSTLID-UHFFFAOYSA-N -1 1 332.364 2.394 20 5 EEBDMM COCCC1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCC1 ZINC001591401310 1349481722 /nfs/dbraw/zinc/48/17/22/1349481722.db2.gz SMSNOENHVSTLID-UHFFFAOYSA-N -1 1 332.364 2.394 20 5 EEBDMM Cc1cc(NC(=O)c2csc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC001592032144 1349586079 /nfs/dbraw/zinc/58/60/79/1349586079.db2.gz WHOOTLNBSHWASP-UHFFFAOYSA-N -1 1 330.329 2.397 20 5 EEBDMM O=[N+]([O-])c1cc(N[C@H]2CCOC23CCCC3)ccc1-c1nn[n-]n1 ZINC001593474488 1349808420 /nfs/dbraw/zinc/80/84/20/1349808420.db2.gz PYEKYAUXGXQRNY-ZDUSSCGKSA-N -1 1 330.348 2.289 20 5 EEBDMM O=[N+]([O-])c1ccc(NC[C@H]2CSCCS2)cc1-c1nnn[n-]1 ZINC001593478619 1349811399 /nfs/dbraw/zinc/81/13/99/1349811399.db2.gz WXIRDBGJCNVRGI-VIFPVBQESA-N -1 1 338.418 2.035 20 5 EEBDMM O=[N+]([O-])c1ccc(NC[C@H]2CSCCS2)cc1-c1nn[n-]n1 ZINC001593478619 1349811402 /nfs/dbraw/zinc/81/14/02/1349811402.db2.gz WXIRDBGJCNVRGI-VIFPVBQESA-N -1 1 338.418 2.035 20 5 EEBDMM O=C([O-])C1(CCCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC1 ZINC001601496901 1350295858 /nfs/dbraw/zinc/29/58/58/1350295858.db2.gz JGVXFCWJQRYWHT-UHFFFAOYSA-N -1 1 336.344 2.455 20 5 EEBDMM O=C([O-])[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC001601825101 1350373462 /nfs/dbraw/zinc/37/34/62/1350373462.db2.gz XZDOMEHUBBKJGG-RBSFLKMASA-N -1 1 348.355 2.406 20 5 EEBDMM O=C([O-])c1ccc2c(c1)CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001602421074 1350515494 /nfs/dbraw/zinc/51/54/94/1350515494.db2.gz NWCOTTBXIHWKCS-KRWDZBQOSA-N -1 1 342.351 2.385 20 5 EEBDMM COc1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001605300447 1351129541 /nfs/dbraw/zinc/12/95/41/1351129541.db2.gz ANFOEQLTYDMQES-UHFFFAOYSA-N -1 1 346.328 2.097 20 5 EEBDMM Cc1ccc([C@@H](C)Nc2ccnc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001605828364 1351230097 /nfs/dbraw/zinc/23/00/97/1351230097.db2.gz RBGLLYHVKFUPTI-SNVBAGLBSA-N -1 1 325.332 2.073 20 5 EEBDMM Cc1ccc([C@@H](C)Nc2ccnc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001605828364 1351230102 /nfs/dbraw/zinc/23/01/02/1351230102.db2.gz RBGLLYHVKFUPTI-SNVBAGLBSA-N -1 1 325.332 2.073 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001607077159 1351407167 /nfs/dbraw/zinc/40/71/67/1351407167.db2.gz MUEBKBYLIISJCP-NWDGAFQWSA-N -1 1 341.306 2.277 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001607077159 1351407168 /nfs/dbraw/zinc/40/71/68/1351407168.db2.gz MUEBKBYLIISJCP-NWDGAFQWSA-N -1 1 341.306 2.277 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCc2ccccc2CC1 ZINC001607077308 1351407214 /nfs/dbraw/zinc/40/72/14/1351407214.db2.gz PCUJJEJBWSTDSD-UHFFFAOYSA-N -1 1 336.355 2.380 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCc2ccccc2CC1 ZINC001607077308 1351407216 /nfs/dbraw/zinc/40/72/16/1351407216.db2.gz PCUJJEJBWSTDSD-UHFFFAOYSA-N -1 1 336.355 2.380 20 5 EEBDMM O=[N+]([O-])c1cc(N[C@@H](C2CCC2)[C@@H]2CCOC2)ccc1-c1nn[n-]n1 ZINC001607079615 1351408625 /nfs/dbraw/zinc/40/86/25/1351408625.db2.gz KGMQEWISEYTEPU-ABAIWWIYSA-N -1 1 344.375 2.392 20 5 EEBDMM O=[N+]([O-])c1cc(N[C@H](CO)C2CCCCC2)ccc1-c1nn[n-]n1 ZINC001607079913 1351409003 /nfs/dbraw/zinc/40/90/03/1351409003.db2.gz OPYBLJXKPRKOEF-CYBMUJFWSA-N -1 1 332.364 2.128 20 5 EEBDMM O=[N+]([O-])c1cccc(-c2noc(-c3ccc(-c4nnn[n-]4)o3)n2)c1 ZINC001607084682 1351412002 /nfs/dbraw/zinc/41/20/02/1351412002.db2.gz SLVPWRYMSBIXFD-UHFFFAOYSA-N -1 1 325.244 2.085 20 5 EEBDMM O=[N+]([O-])c1cccc(-c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)c1 ZINC001607084682 1351412005 /nfs/dbraw/zinc/41/20/05/1351412005.db2.gz SLVPWRYMSBIXFD-UHFFFAOYSA-N -1 1 325.244 2.085 20 5 EEBDMM Cc1c(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)ccc2cncn21 ZINC001607525907 1351510427 /nfs/dbraw/zinc/51/04/27/1351510427.db2.gz CZGHBWVPQXMUES-UHFFFAOYSA-N -1 1 341.279 2.468 20 5 EEBDMM COCC1CCC(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001591392702 1403909126 /nfs/dbraw/zinc/90/91/26/1403909126.db2.gz QPGNXECJQCAIEK-UHFFFAOYSA-N -1 1 338.393 2.454 20 5 EEBDMM COCC1CCC(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001591392702 1403909129 /nfs/dbraw/zinc/90/91/29/1403909129.db2.gz QPGNXECJQCAIEK-UHFFFAOYSA-N -1 1 338.393 2.454 20 5 EEBDMM Cc1cc(Oc2cc(-c3nnn[n-]3)nc(C)n2)c(F)cc1[N+](=O)[O-] ZINC001606078820 1404764331 /nfs/dbraw/zinc/76/43/31/1404764331.db2.gz VKLRZVBQYHPIPI-UHFFFAOYSA-N -1 1 331.267 2.113 20 5 EEBDMM Cc1cc(Oc2cc(-c3nn[n-]n3)nc(C)n2)c(F)cc1[N+](=O)[O-] ZINC001606078820 1404764336 /nfs/dbraw/zinc/76/43/36/1404764336.db2.gz VKLRZVBQYHPIPI-UHFFFAOYSA-N -1 1 331.267 2.113 20 5 EEBDMM O=C(Nc1cc(N2CCCC2=O)ccc1F)c1ccc([N+](=O)[O-])[n-]1 ZINC000918655894 769302460 /nfs/dbraw/zinc/30/24/60/769302460.db2.gz LNAIMYWKTJEYFB-UHFFFAOYSA-N -1 1 332.291 2.441 20 5 EEBDMM O=C(NC/C=C\CNc1ccc([N+](=O)[O-])cc1)c1ncccc1[O-] ZINC001107139866 785978363 /nfs/dbraw/zinc/97/83/63/785978363.db2.gz SYTUEEXUBKBABT-UPHRSURJSA-N -1 1 328.328 2.094 20 5 EEBDMM O=C(OCCOCC(F)(F)C(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000787746708 807223958 /nfs/dbraw/zinc/22/39/58/807223958.db2.gz HDNJLEDDCVATOA-UHFFFAOYSA-N -1 1 341.213 2.374 20 5 EEBDMM COCC(C)(C)CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000805123332 811149470 /nfs/dbraw/zinc/14/94/70/811149470.db2.gz PYPHULGQJJMFND-UHFFFAOYSA-N -1 1 348.396 2.465 20 5 EEBDMM O=[N+]([O-])c1ccc([C@H](O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826498314 948412887 /nfs/dbraw/zinc/41/28/87/948412887.db2.gz PIIRBSYOHPFFLG-GFCCVEGCSA-N -1 1 345.290 2.026 20 5 EEBDMM O=[N+]([O-])c1ccc([C@H](O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826498314 948412894 /nfs/dbraw/zinc/41/28/94/948412894.db2.gz PIIRBSYOHPFFLG-GFCCVEGCSA-N -1 1 345.290 2.026 20 5 EEBDMM C[C@H](CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccncc1 ZINC001575118135 951982516 /nfs/dbraw/zinc/98/25/16/951982516.db2.gz QFXOKOATGMQGJV-MRVPVSSYSA-N -1 1 331.361 2.447 20 5 EEBDMM C[C@H](CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccncc1 ZINC001575118135 951982522 /nfs/dbraw/zinc/98/25/22/951982522.db2.gz QFXOKOATGMQGJV-MRVPVSSYSA-N -1 1 331.361 2.447 20 5 EEBDMM O=C([O-])CCN(Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCCO1 ZINC000833233101 979123623 /nfs/dbraw/zinc/12/36/23/979123623.db2.gz AFXMWJINBBQUJT-ZDUSSCGKSA-N -1 1 326.324 2.190 20 5 EEBDMM C[C@@](Cn1cccn1)(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC001592923565 979925235 /nfs/dbraw/zinc/92/52/35/979925235.db2.gz PHQLFTCFWPRUOC-AWEZNQCLSA-N -1 1 338.751 2.078 20 5 EEBDMM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001589704604 987812768 /nfs/dbraw/zinc/81/27/68/987812768.db2.gz CIZDKCPYGDNBTK-LLVKDONJSA-N -1 1 334.332 2.090 20 5 EEBDMM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000273445615 256296954 /nfs/dbraw/zinc/29/69/54/256296954.db2.gz CDBKKJDNKBVHMA-GHMZBOCLSA-N -1 1 346.380 2.217 20 5 EEBDMM O=C(NCC1(c2ccc(F)cc2F)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187214854 160095556 /nfs/dbraw/zinc/09/55/56/160095556.db2.gz JEDVHLGXXITTEB-UHFFFAOYSA-N -1 1 349.293 2.435 20 5 EEBDMM O=C(c1cc(F)ccc1[O-])N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188453214 160123845 /nfs/dbraw/zinc/12/38/45/160123845.db2.gz TZWSBTWDHKUYNT-UHFFFAOYSA-N -1 1 332.287 2.343 20 5 EEBDMM Cc1c2ccccc2n(C)c1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000352126712 162076877 /nfs/dbraw/zinc/07/68/77/162076877.db2.gz WGAKQQVJHZGGPM-UHFFFAOYSA-N -1 1 340.339 2.426 20 5 EEBDMM Cc1c(NC(=O)[C@H](C)N2CCC[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000164654759 226091079 /nfs/dbraw/zinc/09/10/79/226091079.db2.gz SQKPDKDEOPPODX-RYUDHWBXSA-N -1 1 335.360 2.027 20 5 EEBDMM Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000290570965 275219106 /nfs/dbraw/zinc/21/91/06/275219106.db2.gz BDAIUYWALLRRHM-JTQLQIEISA-N -1 1 346.309 2.193 20 5 EEBDMM Cc1cccc(CNC(=O)Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000350983519 312357097 /nfs/dbraw/zinc/35/70/97/312357097.db2.gz XULDHBBTHFHQOX-UHFFFAOYSA-N -1 1 341.327 2.140 20 5 EEBDMM C[C@@H]1CCCC[C@@H]1CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525689156 317067838 /nfs/dbraw/zinc/06/78/38/317067838.db2.gz ARZCGJHDHDLRPD-VXGBXAGGSA-N -1 1 327.406 2.485 20 5 EEBDMM C[C@@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)c1ccccc1[N+](=O)[O-] ZINC000358321992 465058469 /nfs/dbraw/zinc/05/84/69/465058469.db2.gz CFZQBHZZHHMOMJ-SECBINFHSA-N -1 1 341.327 2.073 20 5 EEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2OC(F)F)s1 ZINC000337334906 465311690 /nfs/dbraw/zinc/31/16/90/465311690.db2.gz KZXIELJDJFYUSG-RQJHMYQMSA-N -1 1 342.345 2.095 20 5 EEBDMM CC[C@H](C)Oc1cc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccn1 ZINC000278047938 463945521 /nfs/dbraw/zinc/94/55/21/463945521.db2.gz LRFRGWITAFSTGB-JTQLQIEISA-N -1 1 346.343 2.198 20 5 EEBDMM O=C([N-]C[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000221962557 464125408 /nfs/dbraw/zinc/12/54/08/464125408.db2.gz JAJVXJRLAWAKTD-SNVBAGLBSA-N -1 1 331.294 2.490 20 5 EEBDMM C[C@H](C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1cccc([N+](=O)[O-])c1 ZINC000579703013 468398866 /nfs/dbraw/zinc/39/88/66/468398866.db2.gz LCTVDPARRJSSSN-CMPLNLGQSA-N -1 1 346.343 2.193 20 5 EEBDMM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000338725337 466337512 /nfs/dbraw/zinc/33/75/12/466337512.db2.gz KIPFKAMMOWXDTE-UWVGGRQHSA-N -1 1 348.808 2.484 20 5 EEBDMM CC(C)n1ncc2c1[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CCC2 ZINC000375718564 466870860 /nfs/dbraw/zinc/87/08/60/466870860.db2.gz JSIHUYQKWJBQOQ-GFCCVEGCSA-N -1 1 345.359 2.280 20 5 EEBDMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000571083992 468737794 /nfs/dbraw/zinc/73/77/94/468737794.db2.gz YLHHKXLSSIYLHI-ZYHUDNBSSA-N -1 1 346.343 2.330 20 5 EEBDMM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000599472677 469268344 /nfs/dbraw/zinc/26/83/44/469268344.db2.gz LKFKYFTUEIWVQC-UHFFFAOYSA-N -1 1 346.792 2.286 20 5 EEBDMM O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000619574282 469642780 /nfs/dbraw/zinc/64/27/80/469642780.db2.gz NJQZTDNGXZPRHL-UHFFFAOYSA-N -1 1 343.274 2.477 20 5 EEBDMM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610261877 469996510 /nfs/dbraw/zinc/99/65/10/469996510.db2.gz BXUXDLYDRQEABM-SNVBAGLBSA-N -1 1 337.357 2.038 20 5 EEBDMM CN(C(=O)COC(=O)c1ccc([O-])cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000773566382 577351945 /nfs/dbraw/zinc/35/19/45/577351945.db2.gz MXKLLWIPZQHNDU-UHFFFAOYSA-N -1 1 348.286 2.259 20 5 EEBDMM C[C@@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000763405712 577720692 /nfs/dbraw/zinc/72/06/92/577720692.db2.gz RWQOUBWWPJXYIZ-SECBINFHSA-N -1 1 348.277 2.310 20 5 EEBDMM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCN1CCCCC1 ZINC000740096726 578080680 /nfs/dbraw/zinc/08/06/80/578080680.db2.gz OZHSCKXNVVDKPR-UHFFFAOYSA-N -1 1 338.320 2.099 20 5 EEBDMM C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@H](C)C(=O)[O-] ZINC000736575757 578212614 /nfs/dbraw/zinc/21/26/14/578212614.db2.gz QJXAQFOYLRMZHG-DTWKUNHWSA-N -1 1 343.767 2.228 20 5 EEBDMM CCOc1ncccc1CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825658617 607449634 /nfs/dbraw/zinc/44/96/34/607449634.db2.gz HPVPXQXHCBCIJK-UHFFFAOYSA-N -1 1 341.331 2.181 20 5 EEBDMM CCOc1ncccc1CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825658617 607449635 /nfs/dbraw/zinc/44/96/35/607449635.db2.gz HPVPXQXHCBCIJK-UHFFFAOYSA-N -1 1 341.331 2.181 20 5 EEBDMM C[C@@H]1CN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C[C@H]1C(=O)[O-] ZINC000828461559 601815432 /nfs/dbraw/zinc/81/54/32/601815432.db2.gz AIRWBGDRZIOKHV-PSASIEDQSA-N -1 1 337.357 2.482 20 5 EEBDMM COc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000832404317 604600227 /nfs/dbraw/zinc/60/02/27/604600227.db2.gz RXTDLXISPZVOMW-UHFFFAOYSA-N -1 1 332.268 2.260 20 5 EEBDMM CC(C)c1[nH]nc(C(=O)N(C)C2(C(=O)[O-])CCCCC2)c1[N+](=O)[O-] ZINC000833508260 604873573 /nfs/dbraw/zinc/87/35/73/604873573.db2.gz AFFDUOSPPOIRTE-UHFFFAOYSA-N -1 1 338.364 2.301 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000823620417 607126691 /nfs/dbraw/zinc/12/66/91/607126691.db2.gz KXNRREQONOGKOF-MGPQQGTHSA-N -1 1 349.354 2.168 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000823620417 607126692 /nfs/dbraw/zinc/12/66/92/607126692.db2.gz KXNRREQONOGKOF-MGPQQGTHSA-N -1 1 349.354 2.168 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cccc(Cl)c1 ZINC000823625487 607161876 /nfs/dbraw/zinc/16/18/76/607161876.db2.gz WMTKFAXLZMVDJZ-UHFFFAOYSA-N -1 1 331.723 2.435 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cccc(Cl)c1 ZINC000823625487 607161877 /nfs/dbraw/zinc/16/18/77/607161877.db2.gz WMTKFAXLZMVDJZ-UHFFFAOYSA-N -1 1 331.723 2.435 20 5 EEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCSC2)cc1F ZINC000866918073 686540007 /nfs/dbraw/zinc/54/00/07/686540007.db2.gz CYXIERQYXPCDJX-VIFPVBQESA-N -1 1 334.394 2.216 20 5 EEBDMM Cc1noc([N-]C(=O)c2cccc([N+](=O)[O-])c2Br)n1 ZINC000126925566 1200287804 /nfs/dbraw/zinc/28/78/04/1200287804.db2.gz LCUXVOPNAOUKEM-UHFFFAOYSA-N -1 1 327.094 2.301 20 5 EEBDMM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119763740 1229595417 /nfs/dbraw/zinc/59/54/17/1229595417.db2.gz JPABVRVFHYGFJG-ZETCQYMHSA-N -1 1 331.375 2.301 20 5 EEBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc2c(c1)COC2 ZINC000780074796 1236445910 /nfs/dbraw/zinc/44/59/10/1236445910.db2.gz HWAYTJVGBMDURX-UHFFFAOYSA-N -1 1 343.291 2.370 20 5 EEBDMM NN1CCC(Oc2ccc3c(c2)oc2cc([O-])ccc2c3=O)CC1 ZINC001229516925 1302829500 /nfs/dbraw/zinc/82/95/00/1302829500.db2.gz KTIMHZHVWMIXHX-UHFFFAOYSA-N -1 1 326.352 2.369 20 5 EEBDMM O=c1c2ccc(O)c(OC[C@H]3CCO3)c2oc2cc([O-])cc(O)c12 ZINC001234752700 1305020207 /nfs/dbraw/zinc/02/02/07/1305020207.db2.gz IOHJTJXLOBSTSR-SECBINFHSA-N -1 1 330.292 2.231 20 5 EEBDMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000841536459 1315573040 /nfs/dbraw/zinc/57/30/40/1315573040.db2.gz BGYABTPUZFGBDR-AOOOYVTPSA-N -1 1 334.781 2.094 20 5 EEBDMM O=C([O-])c1cnc([C@H]2CCN(Cc3cccnc3[N+](=O)[O-])C2)s1 ZINC001608969938 1351804482 /nfs/dbraw/zinc/80/44/82/1351804482.db2.gz UJXKURDLOIFVJH-JTQLQIEISA-N -1 1 334.357 2.134 20 5 EEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC[C@@]2(CCSC2)C1 ZINC001609599589 1352029976 /nfs/dbraw/zinc/02/99/76/1352029976.db2.gz MEDFMHLPAJWKAQ-OAHLLOKOSA-N -1 1 346.416 2.498 20 5 EEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC[C@@]2(CCSC2)C1 ZINC001609599589 1352029979 /nfs/dbraw/zinc/02/99/79/1352029979.db2.gz MEDFMHLPAJWKAQ-OAHLLOKOSA-N -1 1 346.416 2.498 20 5 EEBDMM C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001609637627 1352047623 /nfs/dbraw/zinc/04/76/23/1352047623.db2.gz DNXIDPHOSOZOAV-BZNIZROVSA-N -1 1 335.360 2.109 20 5 EEBDMM CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCCO1 ZINC001589516415 1348999320 /nfs/dbraw/zinc/99/93/20/1348999320.db2.gz BBAFACYFVOWYEQ-AWEZNQCLSA-N -1 1 332.364 2.026 20 5 EEBDMM CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCCO1 ZINC001589516415 1348999322 /nfs/dbraw/zinc/99/93/22/1348999322.db2.gz BBAFACYFVOWYEQ-AWEZNQCLSA-N -1 1 332.364 2.026 20 5 EEBDMM CC(C)O[C@@H](Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)c1ccccc1 ZINC001589738586 1349025808 /nfs/dbraw/zinc/02/58/08/1349025808.db2.gz YBWQVQLDVYOAHR-ZDUSSCGKSA-N -1 1 343.347 2.138 20 5 EEBDMM C[C@H](CCO)C1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCC1 ZINC001589833711 1349051878 /nfs/dbraw/zinc/05/18/78/1349051878.db2.gz SJWZMBCXGRUVHC-LLVKDONJSA-N -1 1 346.391 2.376 20 5 EEBDMM C[C@H](CCO)C1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCC1 ZINC001589833711 1349051884 /nfs/dbraw/zinc/05/18/84/1349051884.db2.gz SJWZMBCXGRUVHC-LLVKDONJSA-N -1 1 346.391 2.376 20 5 EEBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC001589981951 1349093235 /nfs/dbraw/zinc/09/32/35/1349093235.db2.gz LIBPRXVZMFDURB-ZUZCIYMTSA-N -1 1 340.343 2.309 20 5 EEBDMM C[C@H]1CC[C@@]2(CCN(c3cc(N)c([N+](=O)[O-])c(-c4nnn[n-]4)c3)C2)C1 ZINC001590240061 1349219228 /nfs/dbraw/zinc/21/92/28/1349219228.db2.gz LSISIYNMADCUSS-MGPLVRAMSA-N -1 1 343.391 2.374 20 5 EEBDMM C[C@H]1CC[C@@]2(CCN(c3cc(N)c([N+](=O)[O-])c(-c4nn[n-]n4)c3)C2)C1 ZINC001590240061 1349219234 /nfs/dbraw/zinc/21/92/34/1349219234.db2.gz LSISIYNMADCUSS-MGPLVRAMSA-N -1 1 343.391 2.374 20 5 EEBDMM C[C@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCC1(F)F ZINC001590314956 1349259343 /nfs/dbraw/zinc/25/93/43/1349259343.db2.gz UYSILYRJSOKMBZ-LURJTMIESA-N -1 1 330.320 2.318 20 5 EEBDMM C[C@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCC1(F)F ZINC001590314956 1349259346 /nfs/dbraw/zinc/25/93/46/1349259346.db2.gz UYSILYRJSOKMBZ-LURJTMIESA-N -1 1 330.320 2.318 20 5 EEBDMM O=[N+]([O-])c1c(NCC[C@H](O)C2CCCC2)cccc1-c1nnn[n-]1 ZINC001593465265 1349802176 /nfs/dbraw/zinc/80/21/76/1349802176.db2.gz LGBYNOSKHCERNI-ZDUSSCGKSA-N -1 1 332.364 2.128 20 5 EEBDMM O=[N+]([O-])c1c(NCC[C@H](O)C2CCCC2)cccc1-c1nn[n-]n1 ZINC001593465265 1349802182 /nfs/dbraw/zinc/80/21/82/1349802182.db2.gz LGBYNOSKHCERNI-ZDUSSCGKSA-N -1 1 332.364 2.128 20 5 EEBDMM CC1(C)[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC001603758266 1350758814 /nfs/dbraw/zinc/75/88/14/1350758814.db2.gz VNIGWIOSKMXNDN-DRTBCBBWSA-N -1 1 336.377 2.062 20 5 EEBDMM CC1(C)[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC001603758266 1350758817 /nfs/dbraw/zinc/75/88/17/1350758817.db2.gz VNIGWIOSKMXNDN-DRTBCBBWSA-N -1 1 336.377 2.062 20 5 EEBDMM Cn1c(C(=O)Nc2nc(Br)ccc2[O-])ccc1[N+](=O)[O-] ZINC000783911481 1371374445 /nfs/dbraw/zinc/37/44/45/1371374445.db2.gz ZPGBAJSGNNJDEQ-UHFFFAOYSA-N -1 1 341.121 2.049 20 5 EEBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC000055572215 789197889 /nfs/dbraw/zinc/19/78/89/789197889.db2.gz KEEREUTWGLZYPW-UHFFFAOYSA-N -1 1 325.321 2.425 20 5 EEBDMM COC(=O)c1n[nH]cc1[N-]c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001169575966 803859156 /nfs/dbraw/zinc/85/91/56/803859156.db2.gz ZZNHWCFGHCUSOF-UHFFFAOYSA-N -1 1 331.210 2.262 20 5 EEBDMM COc1ccc(C[C@H](C)Nc2[n-]c(=O)nc3nc[nH]c32)c([N+](=O)[O-])c1 ZINC001170313318 809886680 /nfs/dbraw/zinc/88/66/80/809886680.db2.gz LCPBCHTUJPPTKF-QMMMGPOBSA-N -1 1 344.331 2.018 20 5 EEBDMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001611365062 971017751 /nfs/dbraw/zinc/01/77/51/971017751.db2.gz NXQPSTBYNRSGOI-FZQKWOKYSA-N -1 1 334.328 2.158 20 5 EEBDMM C[C@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000826008814 978943881 /nfs/dbraw/zinc/94/38/81/978943881.db2.gz OIYXFEPEPDGVOM-LLVKDONJSA-N -1 1 335.360 2.496 20 5 EEBDMM