smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccn2c(N)c(-c3ccc([N+](=O)[O-])o3)[nH+]c2c1 ZINC000110782012 186324346 /nfs/dbraw/zinc/32/43/46/186324346.db2.gz VSFPVKMPHIXVGF-UHFFFAOYSA-N 1 2 258.237 2.393 10 5 CEBELO O=[N+]([O-])c1ccc(F)cc1C[NH2+]Cc1ccccn1 ZINC000035308130 172121797 /nfs/dbraw/zinc/12/17/97/172121797.db2.gz ABXLOVLSYHLPCY-UHFFFAOYSA-N 1 2 261.256 2.419 10 5 CEBELO CCCNc1ccc(Cn2cccc([N+](=O)[O-])c2=O)c[nH+]1 ZINC000050829738 520165550 /nfs/dbraw/zinc/16/55/50/520165550.db2.gz MAFIAIFAHLWAFL-UHFFFAOYSA-N 1 2 288.307 2.022 10 5 CEBELO Cc1c(OCc2ccc[nH+]c2N)cccc1[N+](=O)[O-] ZINC000052755465 525881974 /nfs/dbraw/zinc/88/19/74/525881974.db2.gz FPNAMTUNDKMZDL-UHFFFAOYSA-N 1 2 259.265 2.459 10 5 CEBELO NNc1nc(C(F)(F)F)cc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000062203230 362715025 /nfs/dbraw/zinc/71/50/25/362715025.db2.gz YZWCMAAPDPOEBZ-UHFFFAOYSA-N 1 2 299.212 2.356 10 5 CEBELO CNc1ccc(Cn2ncc3ccc([N+](=O)[O-])cc32)c[nH+]1 ZINC000050828942 522627717 /nfs/dbraw/zinc/62/77/17/522627717.db2.gz QBEUQEURFJWTQL-UHFFFAOYSA-N 1 2 283.291 2.430 10 5 CEBELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOCC1(C)C ZINC000050817640 522648060 /nfs/dbraw/zinc/64/80/60/522648060.db2.gz YIJMGLMQKMWKMU-UHFFFAOYSA-N 1 2 279.340 2.247 10 5 CEBELO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOCC1(C)C ZINC000050817640 522648066 /nfs/dbraw/zinc/64/80/66/522648066.db2.gz YIJMGLMQKMWKMU-UHFFFAOYSA-N 1 2 279.340 2.247 10 5 CEBELO Cc1ccc(OCc2cc[nH+]c(N)c2)c([N+](=O)[O-])c1 ZINC000052755671 525445637 /nfs/dbraw/zinc/44/56/37/525445637.db2.gz ICEISBGXYMXWKA-UHFFFAOYSA-N 1 2 259.265 2.459 10 5 CEBELO CCCNc1cc(Cn2cc([N+](=O)[O-])cn2)cc[nH+]1 ZINC000052732031 520138338 /nfs/dbraw/zinc/13/83/38/520138338.db2.gz ZKKRFCRUEQWIHR-UHFFFAOYSA-N 1 2 261.285 2.057 10 5 CEBELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276309925 193281934 /nfs/dbraw/zinc/28/19/34/193281934.db2.gz LYPUPPODZQHABT-NXEZZACHSA-N 1 2 268.288 2.343 10 5 CEBELO CCN(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000054111774 276071417 /nfs/dbraw/zinc/07/14/17/276071417.db2.gz QOOCRRGCKOLHEL-UHFFFAOYSA-N 1 2 271.748 2.290 10 5 CEBELO CCCNc1[nH+]cccc1Cn1cccc([N+](=O)[O-])c1=O ZINC000052733662 520197309 /nfs/dbraw/zinc/19/73/09/520197309.db2.gz AJMSJJMWPFOHIN-UHFFFAOYSA-N 1 2 288.307 2.022 10 5 CEBELO CCOC(=O)[C@@H](CCSc1ccccc1[N+](=O)[O-])[NH2+]C ZINC000062596720 521062713 /nfs/dbraw/zinc/06/27/13/521062713.db2.gz LIJDKPGYOXSNDW-SNVBAGLBSA-N 1 2 298.364 2.228 10 5 CEBELO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000050792423 522647900 /nfs/dbraw/zinc/64/79/00/522647900.db2.gz QBRFTOXMDFLMBX-PHIMTYICSA-N 1 2 279.340 2.246 10 5 CEBELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000050792423 522647905 /nfs/dbraw/zinc/64/79/05/522647905.db2.gz QBRFTOXMDFLMBX-PHIMTYICSA-N 1 2 279.340 2.246 10 5 CEBELO COC(=O)[C@@H](CC(C)C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726503 523566983 /nfs/dbraw/zinc/56/69/83/523566983.db2.gz JEPYYMLKSKQCHP-CYBMUJFWSA-N 1 2 294.351 2.315 10 5 CEBELO Cc1ccc([N+](=O)[O-])c(OCc2ccc[nH+]c2N)c1 ZINC000052755040 526064460 /nfs/dbraw/zinc/06/44/60/526064460.db2.gz TXSCVQKUXSDEEV-UHFFFAOYSA-N 1 2 259.265 2.459 10 5 CEBELO Cc1[nH+]c[nH]c1CNc1cc([N+](=O)[O-])ccc1F ZINC000054795528 527214169 /nfs/dbraw/zinc/21/41/69/527214169.db2.gz DFJQIKYPAVCUNB-UHFFFAOYSA-N 1 2 250.233 2.378 10 5 CEBELO O=[N+]([O-])c1c(Cl)ncnc1NCCCCn1cc[nH+]c1 ZINC000050455876 527318368 /nfs/dbraw/zinc/31/83/68/527318368.db2.gz RVISTHRJFCDTRF-UHFFFAOYSA-N 1 2 296.718 2.127 10 5 CEBELO O=[N+]([O-])c1ccc2nc(NCCCn3cc[nH+]c3)oc2c1 ZINC000094355551 184788228 /nfs/dbraw/zinc/78/82/28/184788228.db2.gz KMOHFVQXBIFYDN-UHFFFAOYSA-N 1 2 287.279 2.435 10 5 CEBELO CN(c1ccccc1)c1ncnc(-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000040625678 174356208 /nfs/dbraw/zinc/35/62/08/174356208.db2.gz ZGCRTVZFMNPJGX-UHFFFAOYSA-N 1 2 296.290 2.338 10 5 CEBELO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2NC)CCO1 ZINC000050813722 523288632 /nfs/dbraw/zinc/28/86/32/523288632.db2.gz DXMPPINJQSXLQK-ZDUSSCGKSA-N 1 2 279.340 2.247 10 5 CEBELO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2NC)CCO1 ZINC000050813722 523288641 /nfs/dbraw/zinc/28/86/41/523288641.db2.gz DXMPPINJQSXLQK-ZDUSSCGKSA-N 1 2 279.340 2.247 10 5 CEBELO Cc1cc(NC(=O)c2cc(N)ccc2[N+](=O)[O-])cc[nH+]1 ZINC000092366255 180369407 /nfs/dbraw/zinc/36/94/07/180369407.db2.gz YACHSDFTKCSUII-UHFFFAOYSA-N 1 2 272.264 2.133 10 5 CEBELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276309919 193282809 /nfs/dbraw/zinc/28/28/09/193282809.db2.gz LYPUPPODZQHABT-AOOOYVTPSA-N 1 2 268.288 2.343 10 5 CEBELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276309919 193282810 /nfs/dbraw/zinc/28/28/10/193282810.db2.gz LYPUPPODZQHABT-AOOOYVTPSA-N 1 2 268.288 2.343 10 5 CEBELO CCCNc1ccc(Cn2ccc([N+](=O)[O-])n2)c[nH+]1 ZINC000050829986 520165687 /nfs/dbraw/zinc/16/56/87/520165687.db2.gz MLWLGHQTBLNQNV-UHFFFAOYSA-N 1 2 261.285 2.057 10 5 CEBELO CCOC(=O)C[N@H+](CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000062727258 520764410 /nfs/dbraw/zinc/76/44/10/520764410.db2.gz KAUGINYQKQBPBQ-UHFFFAOYSA-N 1 2 294.351 2.411 10 5 CEBELO CCOC(=O)C[N@@H+](CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000062727258 520764415 /nfs/dbraw/zinc/76/44/15/520764415.db2.gz KAUGINYQKQBPBQ-UHFFFAOYSA-N 1 2 294.351 2.411 10 5 CEBELO CCc1nnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1C ZINC000180395595 189253176 /nfs/dbraw/zinc/25/31/76/189253176.db2.gz PTLQPHNUZAIYQZ-JTQLQIEISA-N 1 2 289.339 2.137 10 5 CEBELO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000164623694 367292018 /nfs/dbraw/zinc/29/20/18/367292018.db2.gz FVIWIPSPQPRLGI-GXFFZTMASA-N 1 2 287.323 2.372 10 5 CEBELO C[N@@+]1([O-])CCN2c3[nH+]cccc3Cc3ccccc3[C@@H]2C1 ZINC000575349439 395660752 /nfs/dbraw/zinc/66/07/52/395660752.db2.gz IDOUWFXYSNCUAH-OXJNMPFZSA-N 1 2 282.367 2.383 10 5 CEBELO O=[N+]([O-])c1ccc(N2CC[C@@H](CNc3cccc[nH+]3)C2)nc1 ZINC000195513655 153294635 /nfs/dbraw/zinc/29/46/35/153294635.db2.gz RCHBVDSOLJSDJC-LBPRGKRZSA-N 1 2 299.334 2.323 10 5 CEBELO Nc1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])o1)C2 ZINC000038032868 174030193 /nfs/dbraw/zinc/03/01/93/174030193.db2.gz FJMPTMUXRURTIP-UHFFFAOYSA-N 1 2 273.292 2.328 10 5 CEBELO Nc1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])o1)C2 ZINC000038032868 174030196 /nfs/dbraw/zinc/03/01/96/174030196.db2.gz FJMPTMUXRURTIP-UHFFFAOYSA-N 1 2 273.292 2.328 10 5 CEBELO CNc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000050792419 522610747 /nfs/dbraw/zinc/61/07/47/522610747.db2.gz JABVPULEOBGUTI-GHMZBOCLSA-N 1 2 279.340 2.246 10 5 CEBELO Nc1[nH+]cccc1COc1ccc(F)cc1[N+](=O)[O-] ZINC000052755793 527568986 /nfs/dbraw/zinc/56/89/86/527568986.db2.gz DCEZXMINIOUNPS-UHFFFAOYSA-N 1 2 263.228 2.290 10 5 CEBELO CCCNc1cccc(Cn2cnc([N+](=O)[O-])c2)[nH+]1 ZINC000092371834 180370686 /nfs/dbraw/zinc/37/06/86/180370686.db2.gz LKYLDPJIOBIGPE-UHFFFAOYSA-N 1 2 261.285 2.057 10 5 CEBELO O=[N+]([O-])c1c(NC2CCCCC2)ncnc1-n1cc[nH+]c1 ZINC000040598475 174349630 /nfs/dbraw/zinc/34/96/30/174349630.db2.gz GFARXGIBXQTQPR-UHFFFAOYSA-N 1 2 288.311 2.315 10 5 CEBELO CCOC1CC[NH+](CC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000040689787 174376567 /nfs/dbraw/zinc/37/65/67/174376567.db2.gz NAFHCZISMBXJLQ-UHFFFAOYSA-N 1 2 292.335 2.278 10 5 CEBELO CC[C@H]1COCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1NC ZINC000050814195 523336207 /nfs/dbraw/zinc/33/62/07/523336207.db2.gz JCVGYQPFVHPFNP-LBPRGKRZSA-N 1 2 279.340 2.247 10 5 CEBELO CC[C@H]1COCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1NC ZINC000050814195 523336214 /nfs/dbraw/zinc/33/62/14/523336214.db2.gz JCVGYQPFVHPFNP-LBPRGKRZSA-N 1 2 279.340 2.247 10 5 CEBELO O=[N+]([O-])c1ccc(F)cc1OCCCn1cc[nH+]c1 ZINC000106779035 186135578 /nfs/dbraw/zinc/13/55/78/186135578.db2.gz BDCJODSDANASKE-UHFFFAOYSA-N 1 2 265.244 2.400 10 5 CEBELO C[NH+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000685948402 540640620 /nfs/dbraw/zinc/64/06/20/540640620.db2.gz MNWCAABKMZGALK-UHFFFAOYSA-N 1 2 259.103 2.419 10 5 CEBELO Cn1cc[nH+]c1CNc1c(F)c(F)ccc1[N+](=O)[O-] ZINC000071274318 176105857 /nfs/dbraw/zinc/10/58/57/176105857.db2.gz FCNKMYJJKNRCOO-UHFFFAOYSA-N 1 2 268.223 2.219 10 5 CEBELO CCCNc1[nH+]cccc1Cn1cc([N+](=O)[O-])ccc1=O ZINC000052732853 520196423 /nfs/dbraw/zinc/19/64/23/520196423.db2.gz ABSSAHOGJCJXGF-UHFFFAOYSA-N 1 2 288.307 2.022 10 5 CEBELO CCC[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)OCC ZINC000062727256 521671515 /nfs/dbraw/zinc/67/15/15/521671515.db2.gz NIMNFMJLQXPJKW-UHFFFAOYSA-N 1 2 294.351 2.412 10 5 CEBELO CCC[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)OCC ZINC000062727256 521671517 /nfs/dbraw/zinc/67/15/17/521671517.db2.gz NIMNFMJLQXPJKW-UHFFFAOYSA-N 1 2 294.351 2.412 10 5 CEBELO C[C@H]1C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000171606386 639724235 /nfs/dbraw/zinc/72/42/35/639724235.db2.gz KKWIYAUPEQYSTN-JTQLQIEISA-N 1 2 292.364 2.339 10 5 CEBELO C[C@H]1C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000171606386 639724237 /nfs/dbraw/zinc/72/42/37/639724237.db2.gz KKWIYAUPEQYSTN-JTQLQIEISA-N 1 2 292.364 2.339 10 5 CEBELO C[N+]1([O-])CCN2c3[nH+]cccc3Cc3ccccc3[C@@H]2C1 ZINC000022064220 717113169 /nfs/dbraw/zinc/11/31/69/717113169.db2.gz GAFCUVMEBFTFQJ-DJZRFWRSSA-N 1 2 281.359 2.492 10 5 world CEBELO O=[N+]([O-])c1cnc(Nc2ccc(Cn3cc[nH+]c3)cc2)nc1 ZINC000302167837 201376351 /nfs/dbraw/zinc/37/63/51/201376351.db2.gz SFCOXJFEOBEVSP-UHFFFAOYSA-N 1 2 296.290 2.373 10 5 CEBELO CC(C)n1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(N)[nH+]c1 ZINC000061680206 519982768 /nfs/dbraw/zinc/98/27/68/519982768.db2.gz MJMZXXFWUBJACT-UHFFFAOYSA-N 1 2 289.295 2.207 10 5 CEBELO CCCn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(N)[nH+]c1 ZINC000061680601 521656237 /nfs/dbraw/zinc/65/62/37/521656237.db2.gz IZFCQZZBAGSQBD-UHFFFAOYSA-N 1 2 289.295 2.036 10 5 CEBELO Cc1c(OCc2cc[nH+]c(N)c2)cccc1[N+](=O)[O-] ZINC000052755469 525881882 /nfs/dbraw/zinc/88/18/82/525881882.db2.gz CYVCWKQTTZSQTI-UHFFFAOYSA-N 1 2 259.265 2.459 10 5 CEBELO Nc1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c[nH+]1 ZINC000061680185 527493850 /nfs/dbraw/zinc/49/38/50/527493850.db2.gz UNBWHJPVGJLODZ-UHFFFAOYSA-N 1 2 294.217 2.103 10 5 CEBELO C[NH+](C)Cc1cc([N+](=O)[O-])ccc1Br ZINC000675056596 540075461 /nfs/dbraw/zinc/07/54/61/540075461.db2.gz SYEVYBNBLADHCN-UHFFFAOYSA-N 1 2 259.103 2.419 10 5 CEBELO CC(C)n1nnnc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180454329 312768016 /nfs/dbraw/zinc/76/80/16/312768016.db2.gz BRQWQCHQGUQUJX-SNVBAGLBSA-N 1 2 290.327 2.013 10 5 CEBELO CNc1ccc(C[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000050814122 522609623 /nfs/dbraw/zinc/60/96/23/522609623.db2.gz RWHXKZPVKJDDDI-UHFFFAOYSA-N 1 2 279.340 2.247 10 5 CEBELO CNc1ccc(C[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000050814122 522609633 /nfs/dbraw/zinc/60/96/33/522609633.db2.gz RWHXKZPVKJDDDI-UHFFFAOYSA-N 1 2 279.340 2.247 10 5 CEBELO CC[C@H]1C[N@H+](Cc2ccc(NC)c([N+](=O)[O-])c2)CCO1 ZINC000050813718 523290578 /nfs/dbraw/zinc/29/05/78/523290578.db2.gz CDXLUFGRJBBOIF-LBPRGKRZSA-N 1 2 279.340 2.247 10 5 CEBELO CC[C@H]1C[N@@H+](Cc2ccc(NC)c([N+](=O)[O-])c2)CCO1 ZINC000050813718 523290585 /nfs/dbraw/zinc/29/05/85/523290585.db2.gz CDXLUFGRJBBOIF-LBPRGKRZSA-N 1 2 279.340 2.247 10 5 CEBELO CC[C@@H]([NH2+]Cc1nccc(N)n1)c1cccc([N+](=O)[O-])c1 ZINC000181549294 368468859 /nfs/dbraw/zinc/46/88/59/368468859.db2.gz KJWUXNCZZAWZHV-GFCCVEGCSA-N 1 2 287.323 2.208 10 5 CEBELO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000189985319 130047654 /nfs/dbraw/zinc/04/76/54/130047654.db2.gz WCIHERDONWUHRN-OAHLLOKOSA-N 1 2 292.335 2.431 10 5 CEBELO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000189985319 130047656 /nfs/dbraw/zinc/04/76/56/130047656.db2.gz WCIHERDONWUHRN-OAHLLOKOSA-N 1 2 292.335 2.431 10 5 CEBELO CC[NH2+][C@H](c1ccc([N+](=O)[O-])o1)c1nccn1CC ZINC000041113122 174483202 /nfs/dbraw/zinc/48/32/02/174483202.db2.gz YMKCVIYNGPUEKR-LLVKDONJSA-N 1 2 264.285 2.103 10 5 CEBELO Cc1cccc(C(=O)Nc2ccc(N)[nH+]c2)c1[N+](=O)[O-] ZINC000061680341 524216178 /nfs/dbraw/zinc/21/61/78/524216178.db2.gz OLEDQHCIORVOIL-UHFFFAOYSA-N 1 2 272.264 2.133 10 5 CEBELO Cc1ccc([N+](=O)[O-])cc1OCc1ccc(N)[nH+]c1 ZINC000050833114 526086106 /nfs/dbraw/zinc/08/61/06/526086106.db2.gz QDBJICHGTAPKGE-UHFFFAOYSA-N 1 2 259.265 2.459 10 5 CEBELO CC(C)n1nnnc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180454309 368380998 /nfs/dbraw/zinc/38/09/98/368380998.db2.gz BRQWQCHQGUQUJX-JTQLQIEISA-N 1 2 290.327 2.013 10 5 CEBELO Cc1nccc(C[NH2+]Cc2cc([N+](=O)[O-])c(F)cc2F)n1 ZINC000038037808 174038449 /nfs/dbraw/zinc/03/84/49/174038449.db2.gz PMTKOLGIPYNQOY-UHFFFAOYSA-N 1 2 294.261 2.261 10 5 CEBELO CCn1cc[nH+]c1CN1CCc2ccc([N+](=O)[O-])cc21 ZINC000182779958 312831974 /nfs/dbraw/zinc/83/19/74/312831974.db2.gz XAXRUIVTFMKXRF-UHFFFAOYSA-N 1 2 272.308 2.374 10 5 CEBELO CCCNc1[nH+]cccc1Cn1ccc([N+](=O)[O-])n1 ZINC000052733866 520195649 /nfs/dbraw/zinc/19/56/49/520195649.db2.gz LMFIZOYBJVJTKK-UHFFFAOYSA-N 1 2 261.285 2.057 10 5 CEBELO CC[C@@H]1COCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1NC ZINC000050814194 523498857 /nfs/dbraw/zinc/49/88/57/523498857.db2.gz JCVGYQPFVHPFNP-GFCCVEGCSA-N 1 2 279.340 2.247 10 5 CEBELO CC[C@@H]1COCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1NC ZINC000050814194 523498866 /nfs/dbraw/zinc/49/88/66/523498866.db2.gz JCVGYQPFVHPFNP-GFCCVEGCSA-N 1 2 279.340 2.247 10 5 CEBELO Cc1cnc(C[NH2+]Cc2cc([N+](=O)[O-])c(F)cc2F)cn1 ZINC000061320716 526039829 /nfs/dbraw/zinc/03/98/29/526039829.db2.gz NENJQKJTKUHRIN-UHFFFAOYSA-N 1 2 294.261 2.261 10 5 CEBELO CC[N@@H+]1CCO[C@H](c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000095093129 364339354 /nfs/dbraw/zinc/33/93/54/364339354.db2.gz RWIFPJMUNOGACT-ZDUSSCGKSA-N 1 2 250.298 2.296 10 5 CEBELO CC[N@H+]1CCO[C@H](c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000095093129 364339359 /nfs/dbraw/zinc/33/93/59/364339359.db2.gz RWIFPJMUNOGACT-ZDUSSCGKSA-N 1 2 250.298 2.296 10 5 CEBELO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000189985299 130048078 /nfs/dbraw/zinc/04/80/78/130048078.db2.gz WCIHERDONWUHRN-HNNXBMFYSA-N 1 2 292.335 2.431 10 5 CEBELO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000189985299 130048081 /nfs/dbraw/zinc/04/80/81/130048081.db2.gz WCIHERDONWUHRN-HNNXBMFYSA-N 1 2 292.335 2.431 10 5 CEBELO CCC[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000062727264 521671988 /nfs/dbraw/zinc/67/19/88/521671988.db2.gz FYFSZEGGAZEUEM-UHFFFAOYSA-N 1 2 280.324 2.022 10 5 CEBELO CCC[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000062727264 521671991 /nfs/dbraw/zinc/67/19/91/521671991.db2.gz FYFSZEGGAZEUEM-UHFFFAOYSA-N 1 2 280.324 2.022 10 5 CEBELO COc1cc([N+](=O)[O-])ccc1OCc1cc[nH+]c(N)c1 ZINC000052755571 522984447 /nfs/dbraw/zinc/98/44/47/522984447.db2.gz AYYMRPLQSXODHF-UHFFFAOYSA-N 1 2 275.264 2.160 10 5 CEBELO Nc1[nH+]cccc1COc1ccc([N+](=O)[O-])cc1F ZINC000052755423 527568814 /nfs/dbraw/zinc/56/88/14/527568814.db2.gz DWJWLPIBSRKFMD-UHFFFAOYSA-N 1 2 263.228 2.290 10 5 CEBELO O=[N+]([O-])c1ccc(N2CC[C@H](CNc3cccc[nH+]3)C2)nc1 ZINC000195513656 153294249 /nfs/dbraw/zinc/29/42/49/153294249.db2.gz RCHBVDSOLJSDJC-GFCCVEGCSA-N 1 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/nfs/dbraw/zinc/89/66/64/526896664.db2.gz YCMZRUGUZCFPHX-UHFFFAOYSA-N 1 2 250.233 2.378 10 5 CEBELO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000164623813 367291413 /nfs/dbraw/zinc/29/14/13/367291413.db2.gz FVIWIPSPQPRLGI-ZWNOBZJWSA-N 1 2 287.323 2.372 10 5 CEBELO CCNc1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)c[nH+]1 ZINC000050829283 520318090 /nfs/dbraw/zinc/31/80/90/520318090.db2.gz MBDQDFNBQCBMDL-UHFFFAOYSA-N 1 2 275.312 2.283 10 5 CEBELO CNc1ccc(COc2ccc(C)nc2[N+](=O)[O-])c[nH+]1 ZINC000050833334 522611781 /nfs/dbraw/zinc/61/17/81/522611781.db2.gz CWQSNFQZBPBAMX-UHFFFAOYSA-N 1 2 274.280 2.314 10 5 CEBELO Cc1ccc([N+](=O)[O-])cc1OCc1cc[nH+]c(N)c1 ZINC000052755486 526084625 /nfs/dbraw/zinc/08/46/25/526084625.db2.gz KPJMMIAKOURPOU-UHFFFAOYSA-N 1 2 259.265 2.459 10 5 CEBELO NNc1cc(C2CC2)nc(-c2ccccc2[N+](=O)[O-])[nH+]1 ZINC000109527510 186259867 /nfs/dbraw/zinc/25/98/67/186259867.db2.gz APBXXAFSQJFGMF-UHFFFAOYSA-N 1 2 271.280 2.215 10 5 CEBELO CCc1nc(-c2ccccc2[N+](=O)[O-])[nH+]c(NN)c1C ZINC000110477556 186299545 /nfs/dbraw/zinc/29/95/45/186299545.db2.gz SWVKHGDDOUUOJW-UHFFFAOYSA-N 1 2 273.296 2.208 10 5 CEBELO C[C@H]1COC[C@H](C)[NH+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276309929 193282956 /nfs/dbraw/zinc/28/29/56/193282956.db2.gz LYPUPPODZQHABT-UWVGGRQHSA-N 1 2 268.288 2.343 10 5 CEBELO Nc1ccc(SCc2ccc([N+](=O)[O-])o2)c[nH+]1 ZINC000037192491 173022458 /nfs/dbraw/zinc/02/24/58/173022458.db2.gz TZJKPNCNYKATSL-UHFFFAOYSA-N 1 2 251.267 2.457 10 5 CEBELO Cc1nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)oc1C ZINC000037909440 173842308 /nfs/dbraw/zinc/84/23/08/173842308.db2.gz KVKOPUOXYWBVQQ-UHFFFAOYSA-N 1 2 261.281 2.489 10 5 CEBELO Cn1ccnc1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000071273628 176105866 /nfs/dbraw/zinc/10/58/66/176105866.db2.gz DJGHHDJHHGUPCU-UHFFFAOYSA-N 1 2 280.715 2.272 10 5 CEBELO Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000071274373 176106242 /nfs/dbraw/zinc/10/62/42/176106242.db2.gz VUBRFVVTSFEGIR-UHFFFAOYSA-N 1 2 283.291 2.489 10 5 CEBELO CCOC(=O)[C@H](CCSc1ccccc1[N+](=O)[O-])[NH2+]C ZINC000062596722 521249894 /nfs/dbraw/zinc/24/98/94/521249894.db2.gz LIJDKPGYOXSNDW-JTQLQIEISA-N 1 2 298.364 2.228 10 5 CEBELO CNc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000050792424 522648279 /nfs/dbraw/zinc/64/82/79/522648279.db2.gz QBRFTOXMDFLMBX-QWRGUYRKSA-N 1 2 279.340 2.246 10 5 CEBELO COC(=O)C[N@H+](CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000062727259 523162654 /nfs/dbraw/zinc/16/26/54/523162654.db2.gz XWAWYASEIVHMON-UHFFFAOYSA-N 1 2 280.324 2.021 10 5 CEBELO COC(=O)C[N@@H+](CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000062727259 523162662 /nfs/dbraw/zinc/16/26/62/523162662.db2.gz XWAWYASEIVHMON-UHFFFAOYSA-N 1 2 280.324 2.021 10 5 CEBELO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](C)O1 ZINC000094774146 364294270 /nfs/dbraw/zinc/29/42/70/364294270.db2.gz UZCSQNAAYBRKDK-NXEZZACHSA-N 1 2 268.288 2.343 10 5 CEBELO CC[NH2+][C@H](CCSc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000062596625 520195457 /nfs/dbraw/zinc/19/54/57/520195457.db2.gz HQGVNUXYAVCYSC-GFCCVEGCSA-N 1 2 298.364 2.228 10 5 CEBELO CNc1cc(COc2ccc(C)nc2[N+](=O)[O-])cc[nH+]1 ZINC000052755598 522567561 /nfs/dbraw/zinc/56/75/61/522567561.db2.gz KUAQHQITYJJHDL-UHFFFAOYSA-N 1 2 274.280 2.314 10 5 CEBELO COc1cc([N+](=O)[O-])ccc1OCc1ccc[nH+]c1N ZINC000052755569 522983359 /nfs/dbraw/zinc/98/33/59/522983359.db2.gz PAFYZBYMEBDHMH-UHFFFAOYSA-N 1 2 275.264 2.160 10 5 CEBELO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000164624074 367291579 /nfs/dbraw/zinc/29/15/79/367291579.db2.gz FVIWIPSPQPRLGI-MFKMUULPSA-N 1 2 287.323 2.372 10 5 CEBELO O=[N+]([O-])c1cnc(NCc2[nH]cc[nH+]2)c(Br)c1 ZINC000093434160 184674506 /nfs/dbraw/zinc/67/45/06/184674506.db2.gz SLGZWQKOFVVCOF-UHFFFAOYSA-N 1 2 298.100 2.088 10 5 CEBELO CCCNc1cc(Cn2cc([N+](=O)[O-])ccc2=O)cc[nH+]1 ZINC000052732863 520139030 /nfs/dbraw/zinc/13/90/30/520139030.db2.gz UXHGYKWJPBEMJT-UHFFFAOYSA-N 1 2 288.307 2.022 10 5 CEBELO CCNc1[nH+]cnc2c1cnn2-c1ccccc1[N+](=O)[O-] ZINC000062366839 520382749 /nfs/dbraw/zinc/38/27/49/520382749.db2.gz GTWPXKZAPSXXGM-UHFFFAOYSA-N 1 2 284.279 2.156 10 5 CEBELO CNc1[nH+]cccc1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000052732609 522712214 /nfs/dbraw/zinc/71/22/14/522712214.db2.gz LMUDXQLZBUCXDX-UHFFFAOYSA-N 1 2 283.291 2.430 10 5 CEBELO CCn1cc[nH+]c1CNc1ccc([N+](=O)[O-])cc1OC ZINC000051922516 523541902 /nfs/dbraw/zinc/54/19/02/523541902.db2.gz OTDQHCHMTBIKGL-UHFFFAOYSA-N 1 2 276.296 2.432 10 5 CEBELO COC(=O)[C@H](CC(C)C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726502 523895443 /nfs/dbraw/zinc/89/54/43/523895443.db2.gz JEPYYMLKSKQCHP-ZDUSSCGKSA-N 1 2 294.351 2.315 10 5 CEBELO Cc1ccc(-c2nc(C[NH2+]C3CC3)no2)cc1[N+](=O)[O-] ZINC000051861407 525815302 /nfs/dbraw/zinc/81/53/02/525815302.db2.gz BYSLHMLUPUYXDI-UHFFFAOYSA-N 1 2 274.280 2.205 10 5 CEBELO CCCc1[nH+]ccn1-c1c([N+](=O)[O-])c(CC)nn1C ZINC000091561782 180191934 /nfs/dbraw/zinc/19/19/34/180191934.db2.gz KRWOCCZHRVPVGN-UHFFFAOYSA-N 1 2 263.301 2.029 10 5 CEBELO CC(C)c1nn(C)c(N[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000091576918 180197793 /nfs/dbraw/zinc/19/77/93/180197793.db2.gz VFLREMVQXIAARP-SNVBAGLBSA-N 1 2 292.343 2.149 10 5 CEBELO CNc1cccc(Cn2ncc3ccc([N+](=O)[O-])cc32)[nH+]1 ZINC000092371655 180370841 /nfs/dbraw/zinc/37/08/41/180370841.db2.gz ZKPPJNFWGAXXBI-UHFFFAOYSA-N 1 2 283.291 2.430 10 5 CEBELO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000193873704 369988036 /nfs/dbraw/zinc/98/80/36/369988036.db2.gz JPSDQVDGTWYBQF-VIFPVBQESA-N 1 2 297.336 2.440 10 5 CEBELO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000193873704 369988038 /nfs/dbraw/zinc/98/80/38/369988038.db2.gz JPSDQVDGTWYBQF-VIFPVBQESA-N 1 2 297.336 2.440 10 5 CEBELO CCOC(=O)C[N@H+](CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000062727260 520764651 /nfs/dbraw/zinc/76/46/51/520764651.db2.gz OZTRWYIKCVIZBG-UHFFFAOYSA-N 1 2 292.335 2.165 10 5 CEBELO CCOC(=O)C[N@@H+](CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000062727260 520764657 /nfs/dbraw/zinc/76/46/57/520764657.db2.gz OZTRWYIKCVIZBG-UHFFFAOYSA-N 1 2 292.335 2.165 10 5 CEBELO CCOC(=O)[C@@H]1CCC[N@@H+]1CCc1ccccc1[N+](=O)[O-] ZINC000062727261 521128105 /nfs/dbraw/zinc/12/81/05/521128105.db2.gz SWZNSQWWYDBRCM-AWEZNQCLSA-N 1 2 292.335 2.165 10 5 CEBELO CCOC(=O)[C@@H]1CCC[N@H+]1CCc1ccccc1[N+](=O)[O-] ZINC000062727261 521128110 /nfs/dbraw/zinc/12/81/10/521128110.db2.gz SWZNSQWWYDBRCM-AWEZNQCLSA-N 1 2 292.335 2.165 10 5 CEBELO Cc1ccc(C(=O)Nc2ccc(N)[nH+]c2)cc1[N+](=O)[O-] ZINC000061680285 526220901 /nfs/dbraw/zinc/22/09/01/526220901.db2.gz UCZQPEYAXLHJKG-UHFFFAOYSA-N 1 2 272.264 2.133 10 5 CEBELO CCCc1nn(C)c(-n2cc[nH+]c2CCC)c1[N+](=O)[O-] ZINC000091579725 180198407 /nfs/dbraw/zinc/19/84/07/180198407.db2.gz LUQCUEUXHUEEOZ-UHFFFAOYSA-N 1 2 277.328 2.419 10 5 CEBELO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc([N+](=O)[O-])cc1 ZINC000176684626 395142665 /nfs/dbraw/zinc/14/26/65/395142665.db2.gz HBDWLDZFAQGVHF-GXFFZTMASA-N 1 2 287.323 2.372 10 5 CEBELO COC(=O)c1occc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926201 522413629 /nfs/dbraw/zinc/41/36/29/522413629.db2.gz IXVSVDKAJFGJSP-UHFFFAOYSA-N 1 2 290.275 2.264 10 5 CEBELO CNc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000050792418 522609909 /nfs/dbraw/zinc/60/99/09/522609909.db2.gz JABVPULEOBGUTI-QWRGUYRKSA-N 1 2 279.340 2.246 10 5 CEBELO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050817308 523350412 /nfs/dbraw/zinc/35/04/12/523350412.db2.gz VXYAOQVKWYXKOP-PWSUYJOCSA-N 1 2 279.340 2.176 10 5 CEBELO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050817308 523350417 /nfs/dbraw/zinc/35/04/17/523350417.db2.gz VXYAOQVKWYXKOP-PWSUYJOCSA-N 1 2 279.340 2.176 10 5 CEBELO COc1ccc([N+](=O)[O-])cc1OCc1ccc(N)[nH+]c1 ZINC000050830257 525472599 /nfs/dbraw/zinc/47/25/99/525472599.db2.gz YZRVHCJKHCCGTJ-UHFFFAOYSA-N 1 2 275.264 2.160 10 5 CEBELO Cc1ccc([N+](=O)[O-])c(OCc2ccc(N)[nH+]c2)c1 ZINC000050832175 526065379 /nfs/dbraw/zinc/06/53/79/526065379.db2.gz 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C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])o1)c1nccs1 ZINC000070942410 176015318 /nfs/dbraw/zinc/01/53/18/176015318.db2.gz LFSASBXKRHIIPV-ZETCQYMHSA-N 1 2 253.283 2.495 10 5 CEBELO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2NC)CCO1 ZINC000050813721 523449233 /nfs/dbraw/zinc/44/92/33/523449233.db2.gz DXMPPINJQSXLQK-CYBMUJFWSA-N 1 2 279.340 2.247 10 5 CEBELO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2NC)CCO1 ZINC000050813721 523449237 /nfs/dbraw/zinc/44/92/37/523449237.db2.gz DXMPPINJQSXLQK-CYBMUJFWSA-N 1 2 279.340 2.247 10 5 CEBELO C[N@H+](Cc1cscn1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050814806 523540499 /nfs/dbraw/zinc/54/04/99/523540499.db2.gz XTRUGMIRLCIWNV-UHFFFAOYSA-N 1 2 278.337 2.266 10 5 CEBELO C[N@@H+](Cc1cscn1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050814806 523540509 /nfs/dbraw/zinc/54/05/09/523540509.db2.gz XTRUGMIRLCIWNV-UHFFFAOYSA-N 1 2 278.337 2.266 10 5 CEBELO Cc1[nH+]c[nH]c1CNc1ccc(F)c([N+](=O)[O-])c1 ZINC000054795530 527216107 /nfs/dbraw/zinc/21/61/07/527216107.db2.gz 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C[C@H]([NH2+]Cc1ncccn1)c1ccccc1[N+](=O)[O-] ZINC000361866264 372106171 /nfs/dbraw/zinc/10/61/71/372106171.db2.gz TZSXJVQCARNQPD-JTQLQIEISA-N 1 2 258.281 2.236 10 5 CEBELO CCCCNc1nc[nH+]c(NNC(C)(C)C)c1[N+](=O)[O-] ZINC000040595364 174348627 /nfs/dbraw/zinc/34/86/27/174348627.db2.gz QNWNJGGWHMQLIW-UHFFFAOYSA-N 1 2 282.348 2.312 10 5 CEBELO CCNc1[nH+]cnc2c1cnn2-c1ccc([N+](=O)[O-])cc1 ZINC000062366830 520383311 /nfs/dbraw/zinc/38/33/11/520383311.db2.gz QOFDBYUKGPZCOH-UHFFFAOYSA-N 1 2 284.279 2.156 10 5 CEBELO CNc1cc(COc2cccnc2[N+](=O)[O-])cc[nH+]1 ZINC000052755315 522567873 /nfs/dbraw/zinc/56/78/73/522567873.db2.gz RGVASMWXCFZAOV-UHFFFAOYSA-N 1 2 260.253 2.006 10 5 CEBELO Cc1cc(OCc2ccc(N)[nH+]c2)ccc1[N+](=O)[O-] ZINC000050830220 525373411 /nfs/dbraw/zinc/37/34/11/525373411.db2.gz KZMNASYMQLDPAH-UHFFFAOYSA-N 1 2 259.265 2.459 10 5 CEBELO CC(C)n1c[nH+]cc1COc1cc(CO)ccc1[N+](=O)[O-] ZINC000090236992 179936831 /nfs/dbraw/zinc/93/68/31/179936831.db2.gz MRPSQQPLBLPCKR-UHFFFAOYSA-N 1 2 291.307 2.444 10 5 CEBELO Nc1ccc(COc2cc(F)c([N+](=O)[O-])cc2F)c[nH+]1 ZINC000110624700 186306832 /nfs/dbraw/zinc/30/68/32/186306832.db2.gz GIQWRJISRBWQKT-UHFFFAOYSA-N 1 2 281.218 2.429 10 5 CEBELO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc([N+](=O)[O-])cc1 ZINC000176684642 189004177 /nfs/dbraw/zinc/00/41/77/189004177.db2.gz HBDWLDZFAQGVHF-ZWNOBZJWSA-N 1 2 287.323 2.372 10 5 CEBELO CCn1c(C)nnc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180400219 189253298 /nfs/dbraw/zinc/25/32/98/189253298.db2.gz IPGBRPWCTNFREJ-JTQLQIEISA-N 1 2 289.339 2.365 10 5 CEBELO CC(C)n1cc[nH+]c1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000185172271 270245133 /nfs/dbraw/zinc/24/51/33/270245133.db2.gz XAIHLZHIJWRUKR-UHFFFAOYSA-N 1 2 275.312 2.494 10 5 CEBELO CCOC(=O)C[N@H+](CC)CCc1ccccc1[N+](=O)[O-] ZINC000062727255 520758896 /nfs/dbraw/zinc/75/88/96/520758896.db2.gz YWHYNHVCOICHSA-UHFFFAOYSA-N 1 2 280.324 2.022 10 5 CEBELO CCOC(=O)C[N@@H+](CC)CCc1ccccc1[N+](=O)[O-] ZINC000062727255 520758901 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/nfs/dbraw/zinc/60/93/91/522609391.db2.gz RURZHFGFQKUVQU-UHFFFAOYSA-N 1 2 279.340 2.247 10 5 CEBELO Cc1[nH+]c[nH]c1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000054795015 527215625 /nfs/dbraw/zinc/21/56/25/527215625.db2.gz ARYHIUCRTBMLOR-UHFFFAOYSA-N 1 2 250.233 2.378 10 5 CEBELO CCNc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000090907392 180061427 /nfs/dbraw/zinc/06/14/27/180061427.db2.gz FHPDYMYZKZYIQF-BETUJISGSA-N 1 2 291.351 2.390 10 5 CEBELO CCNc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000090907392 180061428 /nfs/dbraw/zinc/06/14/28/180061428.db2.gz FHPDYMYZKZYIQF-BETUJISGSA-N 1 2 291.351 2.390 10 5 CEBELO Cc1cc(C[NH2+]Cc2cc([N+](=O)[O-])c(F)cc2F)on1 ZINC000044987354 175284584 /nfs/dbraw/zinc/28/45/84/175284584.db2.gz DQCPXWYVPDSHEY-UHFFFAOYSA-N 1 2 283.234 2.459 10 5 CEBELO CCNc1[nH+]cccc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000052733104 520378824 /nfs/dbraw/zinc/37/88/24/520378824.db2.gz XUTZFSXWYJDHBR-UHFFFAOYSA-N 1 2 275.312 2.283 10 5 CEBELO C[N@H+](Cc1ccoc1)Cc1cc([N+](=O)[O-])ccc1N ZINC000050816780 523475301 /nfs/dbraw/zinc/47/53/01/523475301.db2.gz CNHIHOXLQBPLSH-UHFFFAOYSA-N 1 2 261.281 2.402 10 5 CEBELO C[N@@H+](Cc1ccoc1)Cc1cc([N+](=O)[O-])ccc1N ZINC000050816780 523475309 /nfs/dbraw/zinc/47/53/09/523475309.db2.gz CNHIHOXLQBPLSH-UHFFFAOYSA-N 1 2 261.281 2.402 10 5 CEBELO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050817311 523518237 /nfs/dbraw/zinc/51/82/37/523518237.db2.gz SCSKCZDSBACKGR-ZYHUDNBSSA-N 1 2 279.340 2.176 10 5 CEBELO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050817311 523518243 /nfs/dbraw/zinc/51/82/43/523518243.db2.gz SCSKCZDSBACKGR-ZYHUDNBSSA-N 1 2 279.340 2.176 10 5 CEBELO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2N)CC(C)(C)O1 ZINC000050816310 524986664 /nfs/dbraw/zinc/98/66/64/524986664.db2.gz YXBVPNAMFIXZNJ-SNVBAGLBSA-N 1 2 279.340 2.176 10 5 CEBELO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2N)CC(C)(C)O1 ZINC000050816310 524986677 /nfs/dbraw/zinc/98/66/77/524986677.db2.gz 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ZINC000090737928 180034436 /nfs/dbraw/zinc/03/44/36/180034436.db2.gz DTIMSCHQCZENAA-UHFFFAOYSA-N 1 2 287.275 2.389 10 5 CEBELO COc1c([N+](=O)[O-])cc(C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000004343985 361313445 /nfs/dbraw/zinc/31/34/45/361313445.db2.gz PNHIYGROUNQAIO-UHFFFAOYSA-N 1 2 295.295 2.498 10 5 CEBELO COc1cc([N+](=O)[O-])ccc1OCc1ccc(N)[nH+]c1 ZINC000050833275 522983704 /nfs/dbraw/zinc/98/37/04/522983704.db2.gz XCUNZESKIBNKOO-UHFFFAOYSA-N 1 2 275.264 2.160 10 5 CEBELO Cc1ccc(OCc2ccc[nH+]c2N)c([N+](=O)[O-])c1 ZINC000052755668 525446233 /nfs/dbraw/zinc/44/62/33/525446233.db2.gz FXKPZNVJTWTPAT-UHFFFAOYSA-N 1 2 259.265 2.459 10 5 CEBELO C[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000094774145 364294587 /nfs/dbraw/zinc/29/45/87/364294587.db2.gz UZCSQNAAYBRKDK-UWVGGRQHSA-N 1 2 268.288 2.343 10 5 CEBELO Cc1cccc(Nc2ncnc(-n3cc[nH+]c3)c2[N+](=O)[O-])n1 ZINC000040584909 174345802 /nfs/dbraw/zinc/34/58/02/174345802.db2.gz UYLVYEHVKZKRQT-UHFFFAOYSA-N 1 2 297.278 2.018 10 5 CEBELO CNc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000050815280 522609775 /nfs/dbraw/zinc/60/97/75/522609775.db2.gz ZCCYRUNQZXZEJK-DZGCQCFKSA-N 1 2 291.351 2.390 10 5 CEBELO CNc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000050815280 522609783 /nfs/dbraw/zinc/60/97/83/522609783.db2.gz ZCCYRUNQZXZEJK-DZGCQCFKSA-N 1 2 291.351 2.390 10 5 CEBELO Cc1[nH+]c[nH]c1CNc1ccc([N+](=O)[O-])cc1F ZINC000054797308 527216298 /nfs/dbraw/zinc/21/62/98/527216298.db2.gz MFJOUIHFGAUAJO-UHFFFAOYSA-N 1 2 250.233 2.378 10 5 CEBELO C[N@H+]1C[C@@H](c2ccc(Cl)c(F)c2)[C@H]([N+](=O)[O-])C1 ZINC000584647972 344972925 /nfs/dbraw/zinc/97/29/25/344972925.db2.gz NAXIXOOWVLBKBO-GZMMTYOYSA-N 1 2 258.680 2.153 10 5 CEBELO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000186335688 368958352 /nfs/dbraw/zinc/95/83/52/368958352.db2.gz HHXXPCOQSSBNJO-CQSZACIVSA-N 1 2 278.308 2.122 10 5 CEBELO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000186335688 368958354 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CC[C@@H]1C[N@@H+](Cc2ccc(NC)c([N+](=O)[O-])c2)CCO1 ZINC000050813717 523452817 /nfs/dbraw/zinc/45/28/17/523452817.db2.gz CDXLUFGRJBBOIF-GFCCVEGCSA-N 1 2 279.340 2.247 10 5 CEBELO CC[C@@H]1C[N@H+](Cc2ccc(NC)c([N+](=O)[O-])c2)CCO1 ZINC000050813717 523452814 /nfs/dbraw/zinc/45/28/14/523452814.db2.gz CDXLUFGRJBBOIF-GFCCVEGCSA-N 1 2 279.340 2.247 10 5 CEBELO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N)[nH+]c1 ZINC000061680195 525563804 /nfs/dbraw/zinc/56/38/04/525563804.db2.gz FYXPOVHZRRDMJM-UHFFFAOYSA-N 1 2 272.264 2.133 10 5 CEBELO O=C(C[N@H+]1CCCC[C@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000049137603 526743252 /nfs/dbraw/zinc/74/32/52/526743252.db2.gz MXLQKIKCYMOYGQ-ZDUSSCGKSA-N 1 2 292.335 2.014 10 5 CEBELO O=C(C[N@@H+]1CCCC[C@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000049137603 526743259 /nfs/dbraw/zinc/74/32/59/526743259.db2.gz MXLQKIKCYMOYGQ-ZDUSSCGKSA-N 1 2 292.335 2.014 10 5 CEBELO Cc1[nH]c(CNc2ccc(F)cc2[N+](=O)[O-])c[nH+]1 ZINC000054821783 526898550 /nfs/dbraw/zinc/89/85/50/526898550.db2.gz FEPDTEHBPDFLAG-UHFFFAOYSA-N 1 2 250.233 2.378 10 5 CEBELO Cc1[nH]cc(CNc2ccc(F)cc2[N+](=O)[O-])[nH+]1 ZINC000054821783 526898554 /nfs/dbraw/zinc/89/85/54/526898554.db2.gz FEPDTEHBPDFLAG-UHFFFAOYSA-N 1 2 250.233 2.378 10 5 CEBELO O=[N+]([O-])c1ccc2cc[nH+]c(NCC3CC(O)C3)c2c1 ZINC000599174974 346473233 /nfs/dbraw/zinc/47/32/33/346473233.db2.gz OOAUIAHTQVGWAK-UHFFFAOYSA-N 1 2 273.292 2.326 10 5 CEBELO C[N@@+]1([O-])CCN2c3[nH+]cccc3Cc3ccccc3[C@H]2C1 ZINC000575349440 395660793 /nfs/dbraw/zinc/66/07/93/395660793.db2.gz IDOUWFXYSNCUAH-OXQOHEQNSA-N 1 2 282.367 2.383 10 5 CEBELO CNc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000050815279 522609358 /nfs/dbraw/zinc/60/93/58/522609358.db2.gz ZCCYRUNQZXZEJK-ZFWWWQNUSA-N 1 2 291.351 2.390 10 5 CEBELO CNc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000050815279 522609363 /nfs/dbraw/zinc/60/93/63/522609363.db2.gz ZCCYRUNQZXZEJK-ZFWWWQNUSA-N 1 2 291.351 2.390 10 5 CEBELO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2N)CC(C)(C)O1 ZINC000050816311 524612820 /nfs/dbraw/zinc/61/28/20/524612820.db2.gz YXBVPNAMFIXZNJ-JTQLQIEISA-N 1 2 279.340 2.176 10 5 CEBELO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2N)CC(C)(C)O1 ZINC000050816311 524612826 /nfs/dbraw/zinc/61/28/26/524612826.db2.gz YXBVPNAMFIXZNJ-JTQLQIEISA-N 1 2 279.340 2.176 10 5 CEBELO COC(=O)c1cc(NCc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000090737263 180034230 /nfs/dbraw/zinc/03/42/30/180034230.db2.gz UIOBTSWBCZWZDW-UHFFFAOYSA-N 1 2 287.275 2.389 10 5 CEBELO Nc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c[nH+]1 ZINC000111010275 186342272 /nfs/dbraw/zinc/34/22/72/186342272.db2.gz GOOWNTLHHLLACV-UHFFFAOYSA-N 1 2 292.682 2.478 10 5 CEBELO O=[N+]([O-])c1cccc(-c2[nH+]c(CO)c3ccccn32)c1 ZINC000035576646 172273098 /nfs/dbraw/zinc/27/30/98/172273098.db2.gz RASAPCUHXGLOGK-UHFFFAOYSA-N 1 2 269.260 2.402 10 5 CEBELO