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]1C[N@H+]2CCC[C@@H]2CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000113230001 441591083 /nfs/dbraw/zinc/59/10/83/441591083.db2.gz LRJIYTXQTMOIFR-VXGBXAGGSA-N 1 1 337.351 1.808 10 5 EDBEMO COc1ccc(OCC[N@H+]2CCC[C@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000173652037 441814196 /nfs/dbraw/zinc/81/41/96/441814196.db2.gz OVJDUMAQRRVIJR-ZDUSSCGKSA-N 1 1 347.375 1.911 10 5 EDBEMO COCC[N@@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000117289356 441866827 /nfs/dbraw/zinc/86/68/27/441866827.db2.gz GUITWAXBGAUTDY-LLVKDONJSA-N 1 1 347.375 1.264 10 5 EDBEMO COCC[N@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000117289356 441866832 /nfs/dbraw/zinc/86/68/32/441866832.db2.gz GUITWAXBGAUTDY-LLVKDONJSA-N 1 1 347.375 1.264 10 5 EDBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000155094751 442375362 /nfs/dbraw/zinc/37/53/62/442375362.db2.gz ZWFYWZQEYKSQDY-DOMZBBRYSA-N 1 1 341.433 1.743 10 5 EDBEMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000171617991 442362965 /nfs/dbraw/zinc/36/29/65/442362965.db2.gz LZFHJGJTYMZTFM-LSDHHAIUSA-N 1 1 347.375 1.263 10 5 EDBEMO CCOCC[N@@H+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000183554076 442940661 /nfs/dbraw/zinc/94/06/61/442940661.db2.gz LMORSXAWMZGEGD-GFCCVEGCSA-N 1 1 337.380 1.564 10 5 EDBEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000183554076 442940663 /nfs/dbraw/zinc/94/06/63/442940663.db2.gz LMORSXAWMZGEGD-GFCCVEGCSA-N 1 1 337.380 1.564 10 5 EDBEMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000090552744 138279528 /nfs/dbraw/zinc/27/95/28/138279528.db2.gz VITLGVLCLKDSMA-HNNXBMFYSA-N 1 1 330.344 1.305 10 5 EDBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000246814223 139122703 /nfs/dbraw/zinc/12/27/03/139122703.db2.gz CFWIRVAWLAFKON-WFASDCNBSA-N 1 1 346.387 1.020 10 5 EDBEMO CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1CCOC ZINC000176756357 207258040 /nfs/dbraw/zinc/25/80/40/207258040.db2.gz KLSIEOWUSFOCKM-GFCCVEGCSA-N 1 1 336.392 1.360 10 5 EDBEMO CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+]1CCOC ZINC000176756357 207258043 /nfs/dbraw/zinc/25/80/43/207258043.db2.gz KLSIEOWUSFOCKM-GFCCVEGCSA-N 1 1 336.392 1.360 10 5 EDBEMO Cc1nn(C)c(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000177197095 207305070 /nfs/dbraw/zinc/30/50/70/207305070.db2.gz DSABZYBDFDVKHF-GFCCVEGCSA-N 1 1 332.364 1.446 10 5 EDBEMO CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000194659393 273004714 /nfs/dbraw/zinc/00/47/14/273004714.db2.gz URVOQOJZXMMEQE-CQSZACIVSA-N 1 1 343.387 1.995 10 5 EDBEMO CC[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000246853042 281133499 /nfs/dbraw/zinc/13/34/99/281133499.db2.gz NCKAXSWFHXOVIS-ZFWWWQNUSA-N 1 1 335.404 1.441 10 5 EDBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000113232814 441591160 /nfs/dbraw/zinc/59/11/60/441591160.db2.gz RGKYMESPRRWLQM-GXTWGEPZSA-N 1 1 347.371 1.481 10 5 EDBEMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125203063 441996520 /nfs/dbraw/zinc/99/65/20/441996520.db2.gz ZJEWKFCAEGXTBA-LBPRGKRZSA-N 1 1 341.433 1.776 10 5 EDBEMO CC(=O)N[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000077169955 201181444 /nfs/dbraw/zinc/18/14/44/201181444.db2.gz UXGCUONYUMSMPV-CQSZACIVSA-N 1 1 334.376 1.524 10 5 EDBEMO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000246822733 139123055 /nfs/dbraw/zinc/12/30/55/139123055.db2.gz CNGZUNLPMGJLLG-UWVGGRQHSA-N 1 1 331.419 1.514 10 5 EDBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000246822733 139123056 /nfs/dbraw/zinc/12/30/56/139123056.db2.gz CNGZUNLPMGJLLG-UWVGGRQHSA-N 1 1 331.419 1.514 10 5 EDBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000113306177 274374437 /nfs/dbraw/zinc/37/44/37/274374437.db2.gz SPZFWMQDDLAJIS-DGCLKSJQSA-N 1 1 325.390 1.452 10 5 EDBEMO Cc1nc(C[C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)no1 ZINC000090525863 441632612 /nfs/dbraw/zinc/63/26/12/441632612.db2.gz KHJACFZBABUQFQ-CYBMUJFWSA-N 1 1 347.375 1.403 10 5 EDBEMO Cn1cc([C@H]2CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000116323304 441812807 /nfs/dbraw/zinc/81/28/07/441812807.db2.gz FFLSGFRVKJXOPJ-BBRMVZONSA-N 1 1 346.387 1.558 10 5 EDBEMO NC(=O)c1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000152520830 442222184 /nfs/dbraw/zinc/22/21/84/442222184.db2.gz BBOOQULKNWLLHE-HNNXBMFYSA-N 1 1 342.355 1.742 10 5 EDBEMO NC(=O)c1ccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000152520830 442222186 /nfs/dbraw/zinc/22/21/86/442222186.db2.gz BBOOQULKNWLLHE-HNNXBMFYSA-N 1 1 342.355 1.742 10 5 EDBEMO COc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@H]([NH+]2CCC(C)CC2)C1=O ZINC000028285050 202169480 /nfs/dbraw/zinc/16/94/80/202169480.db2.gz PZZVCYFOCFFGHC-AWEZNQCLSA-N 1 1 347.371 1.967 10 5 EDBEMO COc1ccc(OCC[N@@H+]2CCC[C@@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC000173540775 237260096 /nfs/dbraw/zinc/26/00/96/237260096.db2.gz MZDIYGSWGSIZDI-CYBMUJFWSA-N 1 1 337.376 1.583 10 5 EDBEMO COc1ccc(OCC[N@H+]2CCC[C@@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC000173540775 237260100 /nfs/dbraw/zinc/26/01/00/237260100.db2.gz MZDIYGSWGSIZDI-CYBMUJFWSA-N 1 1 337.376 1.583 10 5 EDBEMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247368699 139146093 /nfs/dbraw/zinc/14/60/93/139146093.db2.gz DRHPCOWJKSOXBM-ZDUSSCGKSA-N 1 1 325.390 1.372 10 5 EDBEMO C[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000175724252 207154593 /nfs/dbraw/zinc/15/45/93/207154593.db2.gz UYXKBAQFZOZBPM-XJKSGUPXSA-N 1 1 348.403 1.457 10 5 EDBEMO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1N1CCOCC1 ZINC000177266447 207314418 /nfs/dbraw/zinc/31/44/18/207314418.db2.gz MVIPHFJUDPTBTO-DOMZBBRYSA-N 1 1 346.387 1.889 10 5 EDBEMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1N1CCOCC1 ZINC000177266447 207314423 /nfs/dbraw/zinc/31/44/23/207314423.db2.gz MVIPHFJUDPTBTO-DOMZBBRYSA-N 1 1 346.387 1.889 10 5 EDBEMO C[NH+]1CCN(c2ccc(N3C(=O)CCCC3=O)cc2[N+](=O)[O-])CC1 ZINC000004684509 290058215 /nfs/dbraw/zinc/05/82/15/290058215.db2.gz WVHJSHRSTIWRKZ-UHFFFAOYSA-N 1 1 332.360 1.390 10 5 EDBEMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000120676399 442115450 /nfs/dbraw/zinc/11/54/50/442115450.db2.gz HYESYHXSUIVXMW-ZIAGYGMSSA-N 1 1 335.404 1.441 10 5 EDBEMO CN(Cc1cccnc1)C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000195274486 443003171 /nfs/dbraw/zinc/00/31/71/443003171.db2.gz FGWZJIIMAJNPHP-MRXNPFEDSA-N 1 1 344.419 1.640 10 5 EDBEMO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000195274486 443003174 /nfs/dbraw/zinc/00/31/74/443003174.db2.gz FGWZJIIMAJNPHP-MRXNPFEDSA-N 1 1 344.419 1.640 10 5 EDBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000195274486 443003178 /nfs/dbraw/zinc/00/31/78/443003178.db2.gz FGWZJIIMAJNPHP-MRXNPFEDSA-N 1 1 344.419 1.640 10 5 EDBEMO COc1ccc(NC(=O)CN2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246232362 536766707 /nfs/dbraw/zinc/76/67/07/536766707.db2.gz CIXAMZSOLWRQJQ-LBPRGKRZSA-N 1 1 334.376 1.322 10 5 EDBEMO CCn1cc[nH+]c1Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000132379003 138376013 /nfs/dbraw/zinc/37/60/13/138376013.db2.gz IWBPZHDMHHDEID-UHFFFAOYSA-N 1 1 327.138 1.784 10 5 EDBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000246824286 139123254 /nfs/dbraw/zinc/12/32/54/139123254.db2.gz LKRDKLXPKKVJNF-KGLIPLIRSA-N 1 1 332.404 1.726 10 5 EDBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000246974711 139129234 /nfs/dbraw/zinc/12/92/34/139129234.db2.gz DTKVCHJAAKZTGO-PWSUYJOCSA-N 1 1 343.380 1.591 10 5 EDBEMO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCOCC1 ZINC000177233281 207309701 /nfs/dbraw/zinc/30/97/01/207309701.db2.gz JZDWWUMMRDOVFL-SWLSCSKDSA-N 1 1 334.376 1.779 10 5 EDBEMO CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000194631970 273004410 /nfs/dbraw/zinc/00/44/10/273004410.db2.gz PPBSSYWKRNZYHE-CYBMUJFWSA-N 1 1 335.360 1.596 10 5 EDBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000173727594 281195243 /nfs/dbraw/zinc/19/52/43/281195243.db2.gz WJUIXQGYGPGHFV-GXTWGEPZSA-N 1 1 339.417 1.842 10 5 EDBEMO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000173886996 441856447 /nfs/dbraw/zinc/85/64/47/441856447.db2.gz NWUPEMZXRLOVKH-GXTWGEPZSA-N 1 1 341.433 1.910 10 5 EDBEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000176233841 442196723 /nfs/dbraw/zinc/19/67/23/442196723.db2.gz BFKIYSXLTMFDBY-AWEZNQCLSA-N 1 1 333.396 1.412 10 5 EDBEMO COC(=O)c1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000155348774 442389535 /nfs/dbraw/zinc/38/95/35/442389535.db2.gz DFONJNAUCFEYRU-ABAIWWIYSA-N 1 1 349.387 1.840 10 5 EDBEMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000194153586 442852714 /nfs/dbraw/zinc/85/27/14/442852714.db2.gz YKGHSBSZQVZCER-GFCCVEGCSA-N 1 1 334.376 1.442 10 5 EDBEMO COCC[N@@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000255172785 443088921 /nfs/dbraw/zinc/08/89/21/443088921.db2.gz AFFPOBNOULOYBC-BMWLXYDHSA-N 1 1 333.388 1.787 10 5 EDBEMO COCC[N@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000255172785 443088925 /nfs/dbraw/zinc/08/89/25/443088925.db2.gz AFFPOBNOULOYBC-BMWLXYDHSA-N 1 1 333.388 1.787 10 5 EDBEMO CC(=O)N[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000077169956 201181986 /nfs/dbraw/zinc/18/19/86/201181986.db2.gz UXGCUONYUMSMPV-AWEZNQCLSA-N 1 1 334.376 1.524 10 5 EDBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248435415 139163746 /nfs/dbraw/zinc/16/37/46/139163746.db2.gz ADNTXTVNOXPVMR-BZUAXINKSA-N 1 1 349.431 1.893 10 5 EDBEMO CC[N@H+]1CCC[C@@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000067138769 441609610 /nfs/dbraw/zinc/60/96/10/441609610.db2.gz OGJAJTFLGVHRFG-GFCCVEGCSA-N 1 1 344.375 1.390 10 5 EDBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000150802217 441953461 /nfs/dbraw/zinc/95/34/61/441953461.db2.gz SQGNOMWHWCVNTB-RISCZKNCSA-N 1 1 334.376 1.378 10 5 EDBEMO CC[N@H+]1CCC[C@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000181439756 442697715 /nfs/dbraw/zinc/69/77/15/442697715.db2.gz NGIAJLNOIPXIIY-JTQLQIEISA-N 1 1 328.394 1.138 10 5 EDBEMO CCCCOC[C@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000195188969 442995295 /nfs/dbraw/zinc/99/52/95/442995295.db2.gz QJMWERJALHEDCW-DZGCQCFKSA-N 1 1 338.408 1.654 10 5 EDBEMO CS(=O)(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000037750495 202359031 /nfs/dbraw/zinc/35/90/31/202359031.db2.gz YNEBREDERGEYFW-UHFFFAOYSA-N 1 1 337.195 1.492 10 5 EDBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000246256774 139101297 /nfs/dbraw/zinc/10/12/97/139101297.db2.gz 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CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000105852806 441292002 /nfs/dbraw/zinc/29/20/02/441292002.db2.gz GMXVQPDPSGIITH-ZDUSSCGKSA-N 1 1 346.391 1.804 10 5 EDBEMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN1CCCC1=O ZINC000111685012 441539838 /nfs/dbraw/zinc/53/98/38/441539838.db2.gz HVVJDLPRYFNIOW-MRXNPFEDSA-N 1 1 335.404 1.789 10 5 EDBEMO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000113305480 441601574 /nfs/dbraw/zinc/60/15/74/441601574.db2.gz CNGZUNLPMGJLLG-NXEZZACHSA-N 1 1 331.419 1.514 10 5 EDBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000113305480 441601577 /nfs/dbraw/zinc/60/15/77/441601577.db2.gz CNGZUNLPMGJLLG-NXEZZACHSA-N 1 1 331.419 1.514 10 5 EDBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000176889223 442267371 /nfs/dbraw/zinc/26/73/71/442267371.db2.gz RINLIUWBHDVOFB-CQSZACIVSA-N 1 1 334.376 1.476 10 5 EDBEMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000193899084 442808801 /nfs/dbraw/zinc/80/88/01/442808801.db2.gz HJAXKYXTNHPBOM-VXGBXAGGSA-N 1 1 338.364 1.390 10 5 EDBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000246917687 442821168 /nfs/dbraw/zinc/82/11/68/442821168.db2.gz ITMSGBXWJKHGSX-OLZOCXBDSA-N 1 1 339.417 1.842 10 5 EDBEMO CC[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000183047848 442869868 /nfs/dbraw/zinc/86/98/68/442869868.db2.gz IQGGHXJTIOIMMT-BBRMVZONSA-N 1 1 334.420 1.798 10 5 EDBEMO COC(=O)c1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000246807563 139122403 /nfs/dbraw/zinc/12/24/03/139122403.db2.gz DFONJNAUCFEYRU-IAQYHMDHSA-N 1 1 349.387 1.840 10 5 EDBEMO COCC[N@@H+]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000117290191 221046252 /nfs/dbraw/zinc/04/62/52/221046252.db2.gz SDRGHDRSTYSPON-GFCCVEGCSA-N 1 1 337.376 1.396 10 5 EDBEMO COCC[N@H+]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000117290191 221046255 /nfs/dbraw/zinc/04/62/55/221046255.db2.gz SDRGHDRSTYSPON-GFCCVEGCSA-N 1 1 337.376 1.396 10 5 EDBEMO COc1ccc(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000247647608 286348904 /nfs/dbraw/zinc/34/89/04/286348904.db2.gz VRFXYWGJUAXNJS-NSHDSACASA-N 1 1 341.389 1.072 10 5 EDBEMO CC[N@H+]1CCC[C@H]1CN(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177694198 276182482 /nfs/dbraw/zinc/18/24/82/276182482.db2.gz SRRXKWFESNRVGA-INIZCTEOSA-N 1 1 346.431 1.900 10 5 EDBEMO C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000173858214 441851849 /nfs/dbraw/zinc/85/18/49/441851849.db2.gz NSIHJLQQNBHDOK-CZUORRHYSA-N 1 1 333.388 1.316 10 5 EDBEMO O=[N+]([O-])c1cnn(CN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000118951095 596331663 /nfs/dbraw/zinc/33/16/63/596331663.db2.gz LKUHTYHNQBJOSK-MRXNPFEDSA-N 1 1 331.376 1.100 10 5 EDBEMO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000181098948 234086506 /nfs/dbraw/zinc/08/65/06/234086506.db2.gz LYZGOVUSIQFBBD-LBPRGKRZSA-N 1 1 333.344 1.634 10 5 EDBEMO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000181098948 234086508 /nfs/dbraw/zinc/08/65/08/234086508.db2.gz LYZGOVUSIQFBBD-LBPRGKRZSA-N 1 1 333.344 1.634 10 5 EDBEMO CC[N@H+]1CCC[C@H](NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000194631955 273004406 /nfs/dbraw/zinc/00/44/06/273004406.db2.gz PPBSSYWKRNZYHE-ZDUSSCGKSA-N 1 1 335.360 1.596 10 5 EDBEMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113305655 302046281 /nfs/dbraw/zinc/04/62/81/302046281.db2.gz NPKSJDBPLDSAIY-STQMWFEESA-N 1 1 339.417 1.760 10 5 EDBEMO O=C(C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000105883222 441305946 /nfs/dbraw/zinc/30/59/46/441305946.db2.gz KQMVFBJCYIVIFY-CYBMUJFWSA-N 1 1 344.375 1.537 10 5 EDBEMO O=C(C[N@H+]1CCC[C@@H](Cn2cncn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000105883222 441305950 /nfs/dbraw/zinc/30/59/50/441305950.db2.gz KQMVFBJCYIVIFY-CYBMUJFWSA-N 1 1 344.375 1.537 10 5 EDBEMO C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000173858822 441851309 /nfs/dbraw/zinc/85/13/09/441851309.db2.gz KQWBTSUGTXDFFK-CZUORRHYSA-N 1 1 333.388 1.316 10 5 EDBEMO CC(C)[N@@H+]1C[C@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000174002513 441877218 /nfs/dbraw/zinc/87/72/18/441877218.db2.gz VDRCYOUPISGHDZ-JQWIXIFHSA-N 1 1 345.396 1.741 10 5 EDBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000247223988 442841844 /nfs/dbraw/zinc/84/18/44/442841844.db2.gz WJUIXQGYGPGHFV-OCCSQVGLSA-N 1 1 339.417 1.842 10 5 EDBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O ZINC000010153597 211150063 /nfs/dbraw/zinc/15/00/63/211150063.db2.gz MNHOCVARTNGIOQ-RRFJBIMHSA-N 1 1 346.387 1.631 10 5 EDBEMO CCOCC[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000117281983 221040968 /nfs/dbraw/zinc/04/09/68/221040968.db2.gz IAWHALUVLQNRLX-AWEZNQCLSA-N 1 1 335.404 1.707 10 5 EDBEMO CCOCC[N@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000117281983 221040972 /nfs/dbraw/zinc/04/09/72/221040972.db2.gz IAWHALUVLQNRLX-AWEZNQCLSA-N 1 1 335.404 1.707 10 5 EDBEMO CCOC(=O)c1ccnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000150841929 441960432 /nfs/dbraw/zinc/96/04/32/441960432.db2.gz IVVOZTLLTIEFOQ-RYUDHWBXSA-N 1 1 334.376 1.839 10 5 EDBEMO C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000175724233 442112141 /nfs/dbraw/zinc/11/21/41/442112141.db2.gz UYXKBAQFZOZBPM-CZUORRHYSA-N 1 1 348.403 1.457 10 5 EDBEMO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000178691760 442457151 /nfs/dbraw/zinc/45/71/51/442457151.db2.gz UTDHPMJWNWCYGO-CQSZACIVSA-N 1 1 325.390 1.205 10 5 EDBEMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000193899101 442808684 /nfs/dbraw/zinc/80/86/84/442808684.db2.gz HJAXKYXTNHPBOM-NWDGAFQWSA-N 1 1 338.364 1.390 10 5 EDBEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000246953797 442824876 /nfs/dbraw/zinc/82/48/76/442824876.db2.gz ZWFYWZQEYKSQDY-IUODEOHRSA-N 1 1 341.433 1.743 10 5 EDBEMO CC[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000183047829 442870124 /nfs/dbraw/zinc/87/01/24/442870124.db2.gz IQGGHXJTIOIMMT-CZUORRHYSA-N 1 1 334.420 1.798 10 5 EDBEMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247066314 536952604 /nfs/dbraw/zinc/95/26/04/536952604.db2.gz HKISJNLFRSDMBU-DOMZBBRYSA-N 1 1 348.403 1.982 10 5 EDBEMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171770602 227272967 /nfs/dbraw/zinc/27/29/67/227272967.db2.gz KMSMFTKOULLZMS-GFCCVEGCSA-N 1 1 325.390 1.372 10 5 EDBEMO C[NH+]1CCC2(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C(=O)[O-])CC1 ZINC000008698700 441097217 /nfs/dbraw/zinc/09/72/17/441097217.db2.gz QPNJWMCJTUCIKY-OAHLLOKOSA-N 1 1 333.388 1.823 10 5 EDBEMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000106393370 441337223 /nfs/dbraw/zinc/33/72/23/441337223.db2.gz HRJHIBJLYWOLFD-GFCCVEGCSA-N 1 1 337.376 1.132 10 5 EDBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000173439875 441750938 /nfs/dbraw/zinc/75/09/38/441750938.db2.gz LKRDKLXPKKVJNF-UONOGXRCSA-N 1 1 332.404 1.726 10 5 EDBEMO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000174005835 529088344 /nfs/dbraw/zinc/08/83/44/529088344.db2.gz ISHLTADYMHDQAG-ZJUUUORDSA-N 1 1 333.435 1.663 10 5 EDBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000174005835 529088346 /nfs/dbraw/zinc/08/83/46/529088346.db2.gz ISHLTADYMHDQAG-ZJUUUORDSA-N 1 1 333.435 1.663 10 5 EDBEMO CCOC(=O)c1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000195312390 535675271 /nfs/dbraw/zinc/67/52/71/535675271.db2.gz CXQZYEUTJKVMED-CQSZACIVSA-N 1 1 347.371 1.692 10 5 EDBEMO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CC[N@H+]1C[C@H](C)O ZINC000252352928 536153281 /nfs/dbraw/zinc/15/32/81/536153281.db2.gz OGZKDBOKOSZGTQ-ZFWWWQNUSA-N 1 1 337.420 1.880 10 5 EDBEMO Cc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246188344 139098262 /nfs/dbraw/zinc/09/82/62/139098262.db2.gz NWUPEMZXRLOVKH-OCCSQVGLSA-N 1 1 341.433 1.910 10 5 EDBEMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247489552 139150370 /nfs/dbraw/zinc/15/03/70/139150370.db2.gz LKPPBNVGWGFPEF-LBPRGKRZSA-N 1 1 341.389 1.072 10 5 EDBEMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000248374197 139161054 /nfs/dbraw/zinc/16/10/54/139161054.db2.gz OODXTQJXEXTECV-KGLIPLIRSA-N 1 1 347.375 1.263 10 5 EDBEMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000106394922 441337198 /nfs/dbraw/zinc/33/71/98/441337198.db2.gz LYCRNQIDVSEJBE-CYBMUJFWSA-N 1 1 337.376 1.132 10 5 EDBEMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000106394412 441337289 /nfs/dbraw/zinc/33/72/89/441337289.db2.gz XBKGFOJJBFHEOY-CYBMUJFWSA-N 1 1 337.376 1.132 10 5 EDBEMO Cc1c(CC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000126191126 442087360 /nfs/dbraw/zinc/08/73/60/442087360.db2.gz VNQIBEBOZCXKQH-DYVFJYSZSA-N 1 1 347.415 1.625 10 5 EDBEMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000177185139 442310754 /nfs/dbraw/zinc/31/07/54/442310754.db2.gz MNCUGJHCIAXIEV-AWEZNQCLSA-N 1 1 346.391 1.686 10 5 EDBEMO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000177232266 442317138 /nfs/dbraw/zinc/31/71/38/442317138.db2.gz UEWLEFZIKIPQJV-IUODEOHRSA-N 1 1 334.376 1.779 10 5 EDBEMO CC[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000183556030 529373526 /nfs/dbraw/zinc/37/35/26/529373526.db2.gz GZUSSPOKBKDAFB-VXGBXAGGSA-N 1 1 337.380 1.299 10 5 EDBEMO CC[N@H+]1CCC[C@H]1CN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374576 535590343 /nfs/dbraw/zinc/59/03/43/535590343.db2.gz RPFIMHQVBWRCRU-LSDHHAIUSA-N 1 1 337.420 1.751 10 5 EDBEMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000193820139 696059081 /nfs/dbraw/zinc/05/90/81/696059081.db2.gz VDJFJOJBNSSICZ-SNVBAGLBSA-N 1 1 331.369 1.497 10 5 EDBEMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000193820139 696059082 /nfs/dbraw/zinc/05/90/82/696059082.db2.gz VDJFJOJBNSSICZ-SNVBAGLBSA-N 1 1 331.369 1.497 10 5 EDBEMO COc1c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)nn1C ZINC000093534520 138293795 /nfs/dbraw/zinc/29/37/95/138293795.db2.gz XUYMOEHHCLAGMB-GFCCVEGCSA-N 1 1 346.391 1.727 10 5 EDBEMO COc1c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)nn1C ZINC000093534520 138293796 /nfs/dbraw/zinc/29/37/96/138293796.db2.gz XUYMOEHHCLAGMB-GFCCVEGCSA-N 1 1 346.391 1.727 10 5 EDBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000246893758 139125695 /nfs/dbraw/zinc/12/56/95/139125695.db2.gz GXLSJNDGDZXADY-GJZGRUSLSA-N 1 1 349.435 1.883 10 5 EDBEMO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[N@H+]4CCC[C@H]4C3)o2)cc1 ZINC000247043335 139132818 /nfs/dbraw/zinc/13/28/18/139132818.db2.gz DYBDISKSGXISBA-AWEZNQCLSA-N 1 1 329.360 1.925 10 5 EDBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000247466011 139149460 /nfs/dbraw/zinc/14/94/60/139149460.db2.gz RGKYMESPRRWLQM-OCCSQVGLSA-N 1 1 347.371 1.481 10 5 EDBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000178627737 533138323 /nfs/dbraw/zinc/13/83/23/533138323.db2.gz DIXVWFZYONBPDM-CQSZACIVSA-N 1 1 348.403 1.712 10 5 EDBEMO COCC[N@@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000117289360 221045164 /nfs/dbraw/zinc/04/51/64/221045164.db2.gz GUITWAXBGAUTDY-NSHDSACASA-N 1 1 347.375 1.264 10 5 EDBEMO COCC[N@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000117289360 221045168 /nfs/dbraw/zinc/04/51/68/221045168.db2.gz GUITWAXBGAUTDY-NSHDSACASA-N 1 1 347.375 1.264 10 5 EDBEMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CCOC ZINC000117303324 221049734 /nfs/dbraw/zinc/04/97/34/221049734.db2.gz FXFVVTWTIBNNER-GFCCVEGCSA-N 1 1 339.367 1.917 10 5 EDBEMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1CCOC ZINC000117303324 221049735 /nfs/dbraw/zinc/04/97/35/221049735.db2.gz FXFVVTWTIBNNER-GFCCVEGCSA-N 1 1 339.367 1.917 10 5 EDBEMO CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000177713441 276169572 /nfs/dbraw/zinc/16/95/72/276169572.db2.gz FXLQRMFOEUUFRD-MRXNPFEDSA-N 1 1 346.431 1.900 10 5 EDBEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000174850726 441976147 /nfs/dbraw/zinc/97/61/47/441976147.db2.gz JKPMWUWWHHSGAW-AWEZNQCLSA-N 1 1 333.396 1.412 10 5 EDBEMO O=C(CC[N@H+]1CCC[C@H](n2cncn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000171618057 442362941 /nfs/dbraw/zinc/36/29/41/442362941.db2.gz IWVKTUNEOVCYPN-HNNXBMFYSA-N 1 1 344.375 1.852 10 5 EDBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193673881 442766662 /nfs/dbraw/zinc/76/66/62/442766662.db2.gz QMAXWXXVQJAPNH-GFCCVEGCSA-N 1 1 331.332 1.505 10 5 EDBEMO C[NH2+][C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1cnn(C)c1 ZINC000262504553 536335799 /nfs/dbraw/zinc/33/57/99/536335799.db2.gz JAMOACXZNPDEDN-CYBMUJFWSA-N 1 1 337.767 1.559 10 5 EDBEMO CC[C@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCOC ZINC000117324391 595629261 /nfs/dbraw/zinc/62/92/61/595629261.db2.gz LANNDIPDCKQXOL-HNNXBMFYSA-N 1 1 347.419 1.945 10 5 EDBEMO C[C@@H](O)C1CC[NH+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC1 ZINC000154759437 697186027 /nfs/dbraw/zinc/18/60/27/697186027.db2.gz IXXKQOGCFGFEAH-CYBMUJFWSA-N 1 1 348.403 1.887 10 5 EDBEMO O=C(CN1CC[N@H+]2CCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000178635591 232323451 /nfs/dbraw/zinc/32/34/51/232323451.db2.gz LMGRCMZIYKZZTL-GFCCVEGCSA-N 1 1 338.795 1.967 10 5 EDBEMO CC[N@H+]1CCC[C@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000067138768 215116435 /nfs/dbraw/zinc/11/64/35/215116435.db2.gz OGJAJTFLGVHRFG-LBPRGKRZSA-N 1 1 344.375 1.390 10 5 EDBEMO Cn1cc([C@@H]2CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000181890383 234370210 /nfs/dbraw/zinc/37/02/10/234370210.db2.gz VHZUIDICLQWSOI-HIFRSBDPSA-N 1 1 346.387 1.558 10 5 EDBEMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195063076 139006001 /nfs/dbraw/zinc/00/60/01/139006001.db2.gz JYTNAJBVLPMPIP-LBPRGKRZSA-N 1 1 329.360 1.781 10 5 EDBEMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195063076 139006002 /nfs/dbraw/zinc/00/60/02/139006002.db2.gz JYTNAJBVLPMPIP-LBPRGKRZSA-N 1 1 329.360 1.781 10 5 EDBEMO Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246413313 139107499 /nfs/dbraw/zinc/10/74/99/139107499.db2.gz MEQGDAWLFLQUSS-OCCSQVGLSA-N 1 1 348.403 1.687 10 5 EDBEMO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000121368206 442208559 /nfs/dbraw/zinc/20/85/59/442208559.db2.gz IRXPRJRIEUOFDY-RHSMWYFYSA-N 1 1 347.415 1.707 10 5 EDBEMO Cc1nc(CN2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000171592839 442360347 /nfs/dbraw/zinc/36/03/47/442360347.db2.gz ORXVEYXDYFOUMD-UHFFFAOYSA-N 1 1 331.376 1.994 10 5 EDBEMO Cc1nc(CN2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000171592839 442360351 /nfs/dbraw/zinc/36/03/51/442360351.db2.gz ORXVEYXDYFOUMD-UHFFFAOYSA-N 1 1 331.376 1.994 10 5 EDBEMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000191837769 442520989 /nfs/dbraw/zinc/52/09/89/442520989.db2.gz XDOHWUPZGCTKNH-LBPRGKRZSA-N 1 1 332.364 1.621 10 5 EDBEMO C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173858190 534308005 /nfs/dbraw/zinc/30/80/05/534308005.db2.gz NSIHJLQQNBHDOK-CJNGLKHVSA-N 1 1 333.388 1.316 10 5 EDBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000113306179 441601843 /nfs/dbraw/zinc/60/18/43/441601843.db2.gz SPZFWMQDDLAJIS-WCQYABFASA-N 1 1 325.390 1.452 10 5 EDBEMO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000121367914 442208865 /nfs/dbraw/zinc/20/88/65/442208865.db2.gz IRXPRJRIEUOFDY-PBHICJAKSA-N 1 1 347.415 1.707 10 5 EDBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000188254575 442730075 /nfs/dbraw/zinc/73/00/75/442730075.db2.gz UGXLLBYNCOFESY-ZDUSSCGKSA-N 1 1 329.360 1.987 10 5 EDBEMO Cn1cc([C@H]2CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000181890405 234370127 /nfs/dbraw/zinc/37/01/27/234370127.db2.gz VHZUIDICLQWSOI-ZFWWWQNUSA-N 1 1 346.387 1.558 10 5 EDBEMO CC[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000105827634 219548716 /nfs/dbraw/zinc/54/87/16/219548716.db2.gz HDJFOYQMMHRLHZ-CABCVRRESA-N 1 1 337.420 1.751 10 5 EDBEMO O=C(C[C@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000037065737 213132817 /nfs/dbraw/zinc/13/28/17/213132817.db2.gz MVSZUIFCMHUZIN-DMDPSCGWSA-N 1 1 332.360 1.323 10 5 EDBEMO C[N@@H+](CCO)Cc1c(-c2ccc([N+](=O)[O-])cc2)nc2ccc(N)cn21 ZINC000036275968 213080248 /nfs/dbraw/zinc/08/02/48/213080248.db2.gz DGWRTLIEKOVLAZ-UHFFFAOYSA-N 1 1 341.371 1.916 10 5 EDBEMO COc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000113222918 441589740 /nfs/dbraw/zinc/58/97/40/441589740.db2.gz PVEZYOJFPTYIMF-VXGBXAGGSA-N 1 1 349.387 1.921 10 5 EDBEMO CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C[C@@H](C)O ZINC000173270251 442637635 /nfs/dbraw/zinc/63/76/35/442637635.db2.gz NRNFXZONCRMBQJ-TZMCWYRMSA-N 1 1 336.392 1.904 10 5 EDBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193673863 442766405 /nfs/dbraw/zinc/76/64/05/442766405.db2.gz QMAXWXXVQJAPNH-LBPRGKRZSA-N 1 1 331.332 1.505 10 5 EDBEMO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000183039160 442869295 /nfs/dbraw/zinc/86/92/95/442869295.db2.gz LKWJQRYPTQJMTP-WBMJQRKESA-N 1 1 344.371 1.394 10 5 EDBEMO CC[N@H+]1CCC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000194161745 442854878 /nfs/dbraw/zinc/85/48/78/442854878.db2.gz LHGGDPOMYNQLDL-CYBMUJFWSA-N 1 1 336.392 1.887 10 5 EDBEMO CC[N@H+]1CCC[C@H](NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000194624444 442926287 /nfs/dbraw/zinc/92/62/87/442926287.db2.gz NXWXURQLZBVLQO-NSHDSACASA-N 1 1 337.376 1.826 10 5 EDBEMO Cc1ccc(C)c(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000249390150 442971372 /nfs/dbraw/zinc/97/13/72/442971372.db2.gz FTPIREHPPSMRNB-ZDUSSCGKSA-N 1 1 339.417 1.680 10 5 EDBEMO Cc1nn(C)c(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1[N+](=O)[O-] ZINC000190447669 443111172 /nfs/dbraw/zinc/11/11/72/443111172.db2.gz OHJFRVWAZJEIFU-OAHLLOKOSA-N 1 1 344.419 1.990 10 5 EDBEMO C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000255886496 443113364 /nfs/dbraw/zinc/11/33/64/443113364.db2.gz JQERPYXSWZTHNR-BOPUHXCYSA-N 1 1 345.399 1.787 10 5 EDBEMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246088393 443266818 /nfs/dbraw/zinc/26/68/18/443266818.db2.gz GLROCOVPKOVDLR-TZMCWYRMSA-N 1 1 341.433 1.910 10 5 EDBEMO CC[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000183556049 529277786 /nfs/dbraw/zinc/27/77/86/529277786.db2.gz GZUSSPOKBKDAFB-NEPJUHHUSA-N 1 1 337.380 1.299 10 5 EDBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000247556870 536166889 /nfs/dbraw/zinc/16/68/89/536166889.db2.gz RLEPLFHZMSJJSD-STQMWFEESA-N 1 1 336.396 1.060 10 5 EDBEMO C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000037326190 213140223 /nfs/dbraw/zinc/14/02/23/213140223.db2.gz NYBGQKNLWAZPQN-UHFFFAOYSA-N 1 1 333.797 1.574 10 5 EDBEMO C[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000037326190 213140225 /nfs/dbraw/zinc/14/02/25/213140225.db2.gz NYBGQKNLWAZPQN-UHFFFAOYSA-N 1 1 333.797 1.574 10 5 EDBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246332406 139104475 /nfs/dbraw/zinc/10/44/75/139104475.db2.gz DULPDYREKZRRPS-CZUORRHYSA-N 1 1 335.404 1.756 10 5 EDBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000249179491 139188514 /nfs/dbraw/zinc/18/85/14/139188514.db2.gz MWFJWHYKVYGWIC-TZMCWYRMSA-N 1 1 346.387 1.537 10 5 EDBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113305593 300316695 /nfs/dbraw/zinc/31/66/95/300316695.db2.gz NTCJZRITWQNPRC-NWDGAFQWSA-N 1 1 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344.419 1.640 10 5 EDBEMO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000195296608 139012975 /nfs/dbraw/zinc/01/29/75/139012975.db2.gz BOKXCWMRSYSEGW-MRXNPFEDSA-N 1 1 344.419 1.640 10 5 EDBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000195296608 139012976 /nfs/dbraw/zinc/01/29/76/139012976.db2.gz BOKXCWMRSYSEGW-MRXNPFEDSA-N 1 1 344.419 1.640 10 5 EDBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000246814202 139122635 /nfs/dbraw/zinc/12/26/35/139122635.db2.gz CFWIRVAWLAFKON-DOMZBBRYSA-N 1 1 346.387 1.020 10 5 EDBEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000161324194 206342308 /nfs/dbraw/zinc/34/23/08/206342308.db2.gz HESAZOADEOGWPT-HZMBPMFUSA-N 1 1 336.348 1.962 10 5 EDBEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000247466692 139149469 /nfs/dbraw/zinc/14/94/69/139149469.db2.gz UVRPAJPTIKPLIP-UONOGXRCSA-N 1 1 334.420 1.876 10 5 EDBEMO Cc1nn(CCC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000113229926 441590844 /nfs/dbraw/zinc/59/08/44/441590844.db2.gz YXQNVIRGHMZJET-FZMZJTMJSA-N 1 1 335.408 1.493 10 5 EDBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000113305799 441602014 /nfs/dbraw/zinc/60/20/14/441602014.db2.gz WPWPCXKNYFDCLS-WDEREUQCSA-N 1 1 343.380 1.591 10 5 EDBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCNC(=O)[C@H]1C ZINC000189327008 442922055 /nfs/dbraw/zinc/92/20/55/442922055.db2.gz XUVRBJYGFLYDQQ-GFCCVEGCSA-N 1 1 334.376 1.442 10 5 EDBEMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCN(c2cccnn2)CC1 ZINC000105800146 204159621 /nfs/dbraw/zinc/15/96/21/204159621.db2.gz LXWRDISTTZBHHL-UHFFFAOYSA-N 1 1 343.387 1.976 10 5 EDBEMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246190893 139098506 /nfs/dbraw/zinc/09/85/06/139098506.db2.gz NZCLSMWGEROMSK-OLZOCXBDSA-N 1 1 341.433 1.910 10 5 EDBEMO COc1ccc(NC(=O)CN2CC[N@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000172800992 442545047 /nfs/dbraw/zinc/54/50/47/442545047.db2.gz JOOSXURSJXFIES-CYBMUJFWSA-N 1 1 348.403 1.712 10 5 EDBEMO CC(C)(C)OC[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246936109 442822716 /nfs/dbraw/zinc/82/27/16/442822716.db2.gz TYWZRFOBYZOEML-OCCSQVGLSA-N 1 1 338.408 1.652 10 5 EDBEMO CC[C@@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000247015430 442828091 /nfs/dbraw/zinc/82/80/91/442828091.db2.gz CKARIJXJJSKXAQ-DZGCQCFKSA-N 1 1 337.420 1.880 10 5 EDBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248959935 442940183 /nfs/dbraw/zinc/94/01/83/442940183.db2.gz HDFXCDDALFKORH-STQMWFEESA-N 1 1 336.392 1.822 10 5 EDBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248959935 442940189 /nfs/dbraw/zinc/94/01/89/442940189.db2.gz HDFXCDDALFKORH-STQMWFEESA-N 1 1 336.392 1.822 10 5 EDBEMO CCOC(=O)c1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000195312398 535675241 /nfs/dbraw/zinc/67/52/41/535675241.db2.gz CXQZYEUTJKVMED-AWEZNQCLSA-N 1 1 347.371 1.692 10 5 EDBEMO COC(=O)c1cc(N[C@@H](C)C[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000078543422 536568757 /nfs/dbraw/zinc/56/87/57/536568757.db2.gz GIGCUZFVJHQNSC-LBPRGKRZSA-N 1 1 336.392 1.429 10 5 EDBEMO CC[C@@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC[N@H+]1CCOC ZINC000117324815 595629313 /nfs/dbraw/zinc/62/93/13/595629313.db2.gz MCWAGKHPCOOJGN-OAHLLOKOSA-N 1 1 347.419 1.945 10 5 EDBEMO COc1cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000195067674 139006172 /nfs/dbraw/zinc/00/61/72/139006172.db2.gz UQGZNGIEHKHZPV-LBPRGKRZSA-N 1 1 349.387 1.922 10 5 EDBEMO COc1cc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000195067674 139006173 /nfs/dbraw/zinc/00/61/73/139006173.db2.gz UQGZNGIEHKHZPV-LBPRGKRZSA-N 1 1 349.387 1.922 10 5 EDBEMO CCc1ccc(C(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000174248207 207002396 /nfs/dbraw/zinc/00/23/96/207002396.db2.gz IZKPGYDFHIVSMO-ZDUSSCGKSA-N 1 1 335.404 1.950 10 5 EDBEMO CCc1ccc(C(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000174248207 207002402 /nfs/dbraw/zinc/00/24/02/207002402.db2.gz IZKPGYDFHIVSMO-ZDUSSCGKSA-N 1 1 335.404 1.950 10 5 EDBEMO Cn1cc([C@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cn1 ZINC000116318098 441811879 /nfs/dbraw/zinc/81/18/79/441811879.db2.gz JXOVQLVQSBJPGS-LBPRGKRZSA-N 1 1 329.360 1.417 10 5 EDBEMO Cn1cc([C@@H]2CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000116323300 441813682 /nfs/dbraw/zinc/81/36/82/441813682.db2.gz FFLSGFRVKJXOPJ-CJNGLKHVSA-N 1 1 346.387 1.558 10 5 EDBEMO COc1ccc(OCC[N@H+]2CCC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000173652050 441815058 /nfs/dbraw/zinc/81/50/58/441815058.db2.gz OVJDUMAQRRVIJR-CYBMUJFWSA-N 1 1 347.375 1.911 10 5 EDBEMO Cc1nc(CN2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000171592731 442360287 /nfs/dbraw/zinc/36/02/87/442360287.db2.gz WCIQSBVAXHYKJF-UHFFFAOYSA-N 1 1 331.376 1.994 10 5 EDBEMO Cc1nc(CN2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000171592731 442360290 /nfs/dbraw/zinc/36/02/90/442360290.db2.gz WCIQSBVAXHYKJF-UHFFFAOYSA-N 1 1 331.376 1.994 10 5 EDBEMO C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173858203 138675907 /nfs/dbraw/zinc/67/59/07/138675907.db2.gz NSIHJLQQNBHDOK-BBRMVZONSA-N 1 1 333.388 1.316 10 5 EDBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245432544 139074502 /nfs/dbraw/zinc/07/45/02/139074502.db2.gz OPFNUFIQWAMTLR-PVAVHDDUSA-N 1 1 349.431 1.893 10 5 EDBEMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000247157539 139138050 /nfs/dbraw/zinc/13/80/50/139138050.db2.gz LZFHJGJTYMZTFM-CABCVRRESA-N 1 1 347.375 1.263 10 5 EDBEMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000171617998 227174566 /nfs/dbraw/zinc/17/45/66/227174566.db2.gz LZFHJGJTYMZTFM-GJZGRUSLSA-N 1 1 347.375 1.263 10 5 EDBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000113305201 300316314 /nfs/dbraw/zinc/31/63/14/300316314.db2.gz RYUKHZRNBRSELH-WDEREUQCSA-N 1 1 343.380 1.591 10 5 EDBEMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247252442 302046478 /nfs/dbraw/zinc/04/64/78/302046478.db2.gz NPKSJDBPLDSAIY-OLZOCXBDSA-N 1 1 339.417 1.760 10 5 EDBEMO C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000121368379 442208612 /nfs/dbraw/zinc/20/86/12/442208612.db2.gz IRXPRJRIEUOFDY-WMLDXEAASA-N 1 1 347.415 1.707 10 5 EDBEMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[N@H+]2CCC[C@H]2C1 ZINC000179342645 442626263 /nfs/dbraw/zinc/62/62/63/442626263.db2.gz DIQQWPDTQLKJMK-AWEZNQCLSA-N 1 1 328.372 1.925 10 5 EDBEMO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1N1CCOCC1 ZINC000246212457 139099499 /nfs/dbraw/zinc/09/94/99/139099499.db2.gz CKPLTFNLTYBSAL-XYPHTWIQSA-N 1 1 335.404 1.281 10 5 EDBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000246179909 139098046 /nfs/dbraw/zinc/09/80/46/139098046.db2.gz KJUAIUMTYCYPQM-AWEZNQCLSA-N 1 1 348.403 1.712 10 5 EDBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113268353 441595590 /nfs/dbraw/zinc/59/55/90/441595590.db2.gz HIGBCIZZFHLJRB-GXTWGEPZSA-N 1 1 348.403 1.710 10 5 EDBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000137038956 441742094 /nfs/dbraw/zinc/74/20/94/441742094.db2.gz GOAXBVYCONKAHK-MRXNPFEDSA-N 1 1 343.387 1.631 10 5 EDBEMO Cc1c(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000177681787 442370076 /nfs/dbraw/zinc/37/00/76/442370076.db2.gz WUSABNPTHFACJI-LBPRGKRZSA-N 1 1 332.360 1.148 10 5 EDBEMO CC(C)[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000246953810 442824613 /nfs/dbraw/zinc/82/46/13/442824613.db2.gz ZWFYWZQEYKSQDY-SWLSCSKDSA-N 1 1 341.433 1.743 10 5 EDBEMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247600523 442863228 /nfs/dbraw/zinc/86/32/28/442863228.db2.gz UIJKPLOOMQFWQN-JTQLQIEISA-N 1 1 345.808 1.717 10 5 EDBEMO O=[N+]([O-])c1ccc(CN2CC[NH+](CCO)CC2)c(Br)c1 ZINC000050103462 214045392 /nfs/dbraw/zinc/04/53/92/214045392.db2.gz RTSVSQKRXNURSX-UHFFFAOYSA-N 1 1 344.209 1.467 10 5 EDBEMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247120473 139136516 /nfs/dbraw/zinc/13/65/16/139136516.db2.gz JASQQIKSUVIAFJ-YPMHNXCESA-N 1 1 339.417 1.760 10 5 EDBEMO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1N1CCOCC1 ZINC000154423429 224251199 /nfs/dbraw/zinc/25/11/99/224251199.db2.gz CKPLTFNLTYBSAL-COXVUDFISA-N 1 1 335.404 1.281 10 5 EDBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000113233179 441591237 /nfs/dbraw/zinc/59/12/37/441591237.db2.gz ZADDZKWCPPHCFH-ZYHUDNBSSA-N 1 1 329.360 1.780 10 5 EDBEMO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000113233179 441591239 /nfs/dbraw/zinc/59/12/39/441591239.db2.gz ZADDZKWCPPHCFH-ZYHUDNBSSA-N 1 1 329.360 1.780 10 5 EDBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000113233179 441591244 /nfs/dbraw/zinc/59/12/44/441591244.db2.gz ZADDZKWCPPHCFH-ZYHUDNBSSA-N 1 1 329.360 1.780 10 5 EDBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000252443618 443023414 /nfs/dbraw/zinc/02/34/14/443023414.db2.gz DBLNRFAEAFREBN-OCCSQVGLSA-N 1 1 332.404 1.970 10 5 EDBEMO CC[N@@H+]1CCO[C@H](CNc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000231629556 443135904 /nfs/dbraw/zinc/13/59/04/443135904.db2.gz UZYMQEHUNQVBQH-SECBINFHSA-N 1 1 345.197 1.885 10 5 EDBEMO CC[N@H+]1CCO[C@H](CNc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000231629556 443135908 /nfs/dbraw/zinc/13/59/08/443135908.db2.gz UZYMQEHUNQVBQH-SECBINFHSA-N 1 1 345.197 1.885 10 5 EDBEMO CC[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000174616500 529281320 /nfs/dbraw/zinc/28/13/20/529281320.db2.gz YUEHGLBESNOYKD-YPMHNXCESA-N 1 1 339.367 1.651 10 5 EDBEMO CC[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000174616500 529281322 /nfs/dbraw/zinc/28/13/22/529281322.db2.gz YUEHGLBESNOYKD-YPMHNXCESA-N 1 1 339.367 1.651 10 5 EDBEMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+]1C[C@@H](C)O ZINC000187868898 529281623 /nfs/dbraw/zinc/28/16/23/529281623.db2.gz BCCVIQAYFMEFNP-NEPJUHHUSA-N 1 1 336.392 1.094 10 5 EDBEMO C[N@@H+]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000035101548 213007778 /nfs/dbraw/zinc/00/77/78/213007778.db2.gz HLILMRYIBHXUEO-UHFFFAOYSA-N 1 1 333.797 1.574 10 5 EDBEMO C[N@H+]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000035101548 213007781 /nfs/dbraw/zinc/00/77/81/213007781.db2.gz HLILMRYIBHXUEO-UHFFFAOYSA-N 1 1 333.797 1.574 10 5 EDBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000248725810 139173331 /nfs/dbraw/zinc/17/33/31/139173331.db2.gz JYVZBVJXJAWKAF-AAEUAGOBSA-N 1 1 325.390 1.452 10 5 EDBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153836102 224165090 /nfs/dbraw/zinc/16/50/90/224165090.db2.gz NCNZZEMYOAEHOL-IUODEOHRSA-N 1 1 339.417 1.593 10 5 EDBEMO COCC[N@@H+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C[C@H]1C ZINC000117425045 221060977 /nfs/dbraw/zinc/06/09/77/221060977.db2.gz QQCRVFLKPQEOLW-GFCCVEGCSA-N 1 1 336.392 1.278 10 5 EDBEMO COCC[N@H+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C[C@H]1C ZINC000117425045 221060980 /nfs/dbraw/zinc/06/09/80/221060980.db2.gz QQCRVFLKPQEOLW-GFCCVEGCSA-N 1 1 336.392 1.278 10 5 EDBEMO Cc1ccc(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000171771125 227273042 /nfs/dbraw/zinc/27/30/42/227273042.db2.gz UHCUWEKWUNBREW-GFCCVEGCSA-N 1 1 325.390 1.372 10 5 EDBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000173726518 288313392 /nfs/dbraw/zinc/31/33/92/288313392.db2.gz ITMSGBXWJKHGSX-QWHCGFSZSA-N 1 1 339.417 1.842 10 5 EDBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000247255675 300320535 /nfs/dbraw/zinc/32/05/35/300320535.db2.gz NTCJZRITWQNPRC-RYUDHWBXSA-N 1 1 325.390 1.452 10 5 EDBEMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000137953409 441782251 /nfs/dbraw/zinc/78/22/51/441782251.db2.gz HRKKYBJVPANSEE-CYBMUJFWSA-N 1 1 343.387 1.995 10 5 EDBEMO Cc1c(CC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000126190873 442087732 /nfs/dbraw/zinc/08/77/32/442087732.db2.gz VNQIBEBOZCXKQH-GUYCJALGSA-N 1 1 347.415 1.625 10 5 EDBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000177683316 442369864 /nfs/dbraw/zinc/36/98/64/442369864.db2.gz VMLHRHABYIKQTO-ZDUSSCGKSA-N 1 1 332.360 1.148 10 5 EDBEMO CC(C)[N@@H+]1C[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000174003777 529105507 /nfs/dbraw/zinc/10/55/07/529105507.db2.gz REUXXYYRYBKIBL-WFASDCNBSA-N 1 1 341.433 1.743 10 5 EDBEMO Cc1c(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000195316143 139013752 /nfs/dbraw/zinc/01/37/52/139013752.db2.gz KGYHYBNZAXIZOM-LLVKDONJSA-N 1 1 334.332 1.732 10 5 EDBEMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1N1CCOCC1 ZINC000246461617 139109546 /nfs/dbraw/zinc/10/95/46/139109546.db2.gz NMLHBVKRIIHYNJ-RHSMWYFYSA-N 1 1 335.404 1.626 10 5 EDBEMO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171867229 227325166 /nfs/dbraw/zinc/32/51/66/227325166.db2.gz DULVSSXQCBZXIS-GFCCVEGCSA-N 1 1 342.355 1.357 10 5 EDBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000177025007 442287228 /nfs/dbraw/zinc/28/72/28/442287228.db2.gz WOWCNUKKDMLOJZ-CQSZACIVSA-N 1 1 334.420 1.974 10 5 EDBEMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000090552743 138279629 /nfs/dbraw/zinc/27/96/29/138279629.db2.gz VITLGVLCLKDSMA-OAHLLOKOSA-N 1 1 330.344 1.305 10 5 EDBEMO Cc1nccn1C[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000132455528 223332162 /nfs/dbraw/zinc/33/21/62/223332162.db2.gz NQRLEDBYHWLQRB-CQSZACIVSA-N 1 1 331.376 1.426 10 5 EDBEMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000245467777 139076287 /nfs/dbraw/zinc/07/62/87/139076287.db2.gz KDCYYMYRCRSBOD-UONOGXRCSA-N 1 1 337.420 1.880 10 5 EDBEMO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1N1CCOCC1 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ICNQOSNTSLRKQT-CYBMUJFWSA-N 1 1 343.387 1.781 10 5 EDBEMO CN(C(=O)C[N@H+]1CC[C@@H](c2cnn(C)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000116321383 441812790 /nfs/dbraw/zinc/81/27/90/441812790.db2.gz ICNQOSNTSLRKQT-CYBMUJFWSA-N 1 1 343.387 1.781 10 5 EDBEMO Cc1nn(C)c(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000177197110 442312872 /nfs/dbraw/zinc/31/28/72/442312872.db2.gz DSABZYBDFDVKHF-LBPRGKRZSA-N 1 1 332.364 1.446 10 5 EDBEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000131870931 442382050 /nfs/dbraw/zinc/38/20/50/442382050.db2.gz ZETQFKGRYUIMJV-OAHLLOKOSA-N 1 1 345.403 1.944 10 5 EDBEMO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173968211 533836816 /nfs/dbraw/zinc/83/68/16/533836816.db2.gz GFNZCFJRQIAITE-BBRMVZONSA-N 1 1 333.388 1.316 10 5 EDBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000175039521 529304840 /nfs/dbraw/zinc/30/48/40/529304840.db2.gz MFFZBCXSDUPVKQ-LSDHHAIUSA-N 1 1 332.404 1.752 10 5 EDBEMO Cc1cccc(NC[C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000174839233 231322652 /nfs/dbraw/zinc/32/26/52/231322652.db2.gz SSWGDRSUQXRNKY-CQSZACIVSA-N 1 1 330.392 1.929 10 5 EDBEMO CCc1ccc(C(=O)N2CC[NH+](C[C@H](O)CC)CC2)cc1[N+](=O)[O-] ZINC000174201789 529598514 /nfs/dbraw/zinc/59/85/14/529598514.db2.gz RGYGCTVXGYKKGB-OAHLLOKOSA-N 1 1 335.404 1.686 10 5 EDBEMO COCC[N@H+]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000184202068 532967318 /nfs/dbraw/zinc/96/73/18/532967318.db2.gz HACQAEJCLMHARY-LBPRGKRZSA-N 1 1 341.383 1.895 10 5 EDBEMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193412291 274867054 /nfs/dbraw/zinc/86/70/54/274867054.db2.gz NWVLXJSCCWVOKP-UHFFFAOYSA-N 1 1 344.419 1.850 10 5 EDBEMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113305334 441602116 /nfs/dbraw/zinc/60/21/16/441602116.db2.gz JASQQIKSUVIAFJ-AAEUAGOBSA-N 1 1 339.417 1.760 10 5 EDBEMO CCCC(=O)N[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090524654 441632937 /nfs/dbraw/zinc/63/29/37/441632937.db2.gz WAPVRYRBJOCBAK-CYBMUJFWSA-N 1 1 336.392 1.137 10 5 EDBEMO CCCC(=O)N[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090524654 441632942 /nfs/dbraw/zinc/63/29/42/441632942.db2.gz WAPVRYRBJOCBAK-CYBMUJFWSA-N 1 1 336.392 1.137 10 5 EDBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000173439861 441750226 /nfs/dbraw/zinc/75/02/26/441750226.db2.gz LKRDKLXPKKVJNF-ZIAGYGMSSA-N 1 1 332.404 1.726 10 5 EDBEMO C[C@@H]1C(=O)NCCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189324606 442921181 /nfs/dbraw/zinc/92/11/81/442921181.db2.gz ASPAACOJJZVRBS-SNVBAGLBSA-N 1 1 338.339 1.273 10 5 EDBEMO C[C@@H]1C(=O)NCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189324606 442921184 /nfs/dbraw/zinc/92/11/84/442921184.db2.gz ASPAACOJJZVRBS-SNVBAGLBSA-N 1 1 338.339 1.273 10 5 EDBEMO COCC[N@@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000255172789 443089305 /nfs/dbraw/zinc/08/93/05/443089305.db2.gz AFFPOBNOULOYBC-PODYEWJSSA-N 1 1 333.388 1.787 10 5 EDBEMO COCC[N@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000255172789 443089309 /nfs/dbraw/zinc/08/93/09/443089309.db2.gz AFFPOBNOULOYBC-PODYEWJSSA-N 1 1 333.388 1.787 10 5 EDBEMO Cc1c(Br)c(NN2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000165798508 533707204 /nfs/dbraw/zinc/70/72/04/533707204.db2.gz YCHXSTTUSDQVPM-UHFFFAOYSA-N 1 1 330.186 1.635 10 5 EDBEMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC000131519146 597712913 /nfs/dbraw/zinc/71/29/13/597712913.db2.gz QJHCZSGLLLTXKZ-ZDUSSCGKSA-N 1 1 339.367 1.571 10 5 EDBEMO C[NH+]1CCN(N=c2nc[nH]c(Nc3ccccc3F)c2[N+](=O)[O-])CC1 ZINC000040623467 213360357 /nfs/dbraw/zinc/36/03/57/213360357.db2.gz XXRVWMHVUOQTHM-UHFFFAOYSA-N 1 1 347.354 1.842 10 5 EDBEMO CCOCC[N@@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000174735882 276323462 /nfs/dbraw/zinc/32/34/62/276323462.db2.gz OUUOGRHJXFILIJ-LBPRGKRZSA-N 1 1 336.392 1.241 10 5 EDBEMO CCOCC[N@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000174735882 276323465 /nfs/dbraw/zinc/32/34/65/276323465.db2.gz OUUOGRHJXFILIJ-LBPRGKRZSA-N 1 1 336.392 1.241 10 5 EDBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000175270957 442030900 /nfs/dbraw/zinc/03/09/00/442030900.db2.gz REFONJMXCZNBFF-INIZCTEOSA-N 1 1 335.404 1.900 10 5 EDBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000175270957 442030907 /nfs/dbraw/zinc/03/09/07/442030907.db2.gz REFONJMXCZNBFF-INIZCTEOSA-N 1 1 335.404 1.900 10 5 EDBEMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000175396545 442055376 /nfs/dbraw/zinc/05/53/76/442055376.db2.gz DLIUXAVDCILIPJ-GFCCVEGCSA-N 1 1 345.396 1.839 10 5 EDBEMO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCC[NH+]2CCCC2)c1 ZINC000040418460 213301639 /nfs/dbraw/zinc/30/16/39/213301639.db2.gz AXVVPKBTNAIWAJ-UHFFFAOYSA-N 1 1 333.797 1.622 10 5 EDBEMO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195339029 139014921 /nfs/dbraw/zinc/01/49/21/139014921.db2.gz QSSOPCWUFDQJRC-OAHLLOKOSA-N 1 1 341.371 1.701 10 5 EDBEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000105852698 441291661 /nfs/dbraw/zinc/29/16/61/441291661.db2.gz FSVAGCJQEMOTQY-GFCCVEGCSA-N 1 1 346.391 1.873 10 5 EDBEMO C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000108945454 441481684 /nfs/dbraw/zinc/48/16/84/441481684.db2.gz FLIYCNREMPCDPK-AWEZNQCLSA-N 1 1 348.403 1.573 10 5 EDBEMO C[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000108945454 441481690 /nfs/dbraw/zinc/48/16/90/441481690.db2.gz FLIYCNREMPCDPK-AWEZNQCLSA-N 1 1 348.403 1.573 10 5 EDBEMO COc1cc(OCC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000113228611 441590786 /nfs/dbraw/zinc/59/07/86/441590786.db2.gz QMILSVMEWLFTRY-CHWSQXEVSA-N 1 1 349.387 1.677 10 5 EDBEMO CC[C@H](NC(=O)NCC[N@@H+](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000090559098 441634300 /nfs/dbraw/zinc/63/43/00/441634300.db2.gz VCTOBRBINOGGPP-HNNXBMFYSA-N 1 1 338.408 1.923 10 5 EDBEMO CC[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000174616489 441945443 /nfs/dbraw/zinc/94/54/43/441945443.db2.gz YUEHGLBESNOYKD-DGCLKSJQSA-N 1 1 339.367 1.651 10 5 EDBEMO CC[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000174616489 441945449 /nfs/dbraw/zinc/94/54/49/441945449.db2.gz YUEHGLBESNOYKD-DGCLKSJQSA-N 1 1 339.367 1.651 10 5 EDBEMO Cc1c(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000150806125 441955147 /nfs/dbraw/zinc/95/51/47/441955147.db2.gz HYGSIROIZBLYMR-SMDDNHRTSA-N 1 1 348.403 1.687 10 5 EDBEMO CCc1nccn1[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000131872422 442382001 /nfs/dbraw/zinc/38/20/01/442382001.db2.gz JLWHMBHOAIOVCL-AWEZNQCLSA-N 1 1 345.403 1.853 10 5 EDBEMO Cc1cc(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000172021185 442400360 /nfs/dbraw/zinc/40/03/60/442400360.db2.gz YFAWTRFHBOKGJL-GFCCVEGCSA-N 1 1 325.390 1.372 10 5 EDBEMO CC[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2CC)CC[N@H+]1CCOC ZINC000192568444 442663907 /nfs/dbraw/zinc/66/39/07/442663907.db2.gz UDNXTQGIESYGSQ-CYBMUJFWSA-N 1 1 325.413 1.667 10 5 EDBEMO CC(C)(C)OC[C@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246936135 442822347 /nfs/dbraw/zinc/82/23/47/442822347.db2.gz TYWZRFOBYZOEML-TZMCWYRMSA-N 1 1 338.408 1.652 10 5 EDBEMO C[C@H](O)C[N@H+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000248640448 442911176 /nfs/dbraw/zinc/91/11/76/442911176.db2.gz RFGGXVWWHYFOBI-STQMWFEESA-N 1 1 336.392 1.191 10 5 EDBEMO CC[C@H]1CN(Cn2nc(C)c([N+](=O)[O-])c2C)CC[N@H+]1CCOC ZINC000117323788 595628553 /nfs/dbraw/zinc/62/85/53/595628553.db2.gz FTTFUOOYECZKQY-AWEZNQCLSA-N 1 1 325.413 1.408 10 5 EDBEMO O=[N+]([O-])c1ccc(-c2noc(CN3CC[N@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000178639322 232328308 /nfs/dbraw/zinc/32/83/08/232328308.db2.gz NSUJJQKJVIXDTJ-CQSZACIVSA-N 1 1 329.360 1.925 10 5 EDBEMO [NH3+][C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166027292 226146031 /nfs/dbraw/zinc/14/60/31/226146031.db2.gz ZAUFOAAPTBCEIF-MRVPVSSYSA-N 1 1 340.188 1.971 10 5 EDBEMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000105890564 441309363 /nfs/dbraw/zinc/30/93/63/441309363.db2.gz SDULFBHKOKANLS-KRWDZBQOSA-N 1 1 346.387 1.961 10 5 EDBEMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000105890564 441309365 /nfs/dbraw/zinc/30/93/65/441309365.db2.gz SDULFBHKOKANLS-KRWDZBQOSA-N 1 1 346.387 1.961 10 5 EDBEMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125203298 441997081 /nfs/dbraw/zinc/99/70/81/441997081.db2.gz ZJEWKFCAEGXTBA-GFCCVEGCSA-N 1 1 341.433 1.776 10 5 EDBEMO O=C1CCCN1C[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135219599 442570623 /nfs/dbraw/zinc/57/06/23/442570623.db2.gz MEZNXRLGZYTSJB-OAHLLOKOSA-N 1 1 333.388 1.543 10 5 EDBEMO O=C1CCCN1C[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135219599 442570625 /nfs/dbraw/zinc/57/06/25/442570625.db2.gz MEZNXRLGZYTSJB-OAHLLOKOSA-N 1 1 333.388 1.543 10 5 EDBEMO CC[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000181096598 442680063 /nfs/dbraw/zinc/68/00/63/442680063.db2.gz HCSDHYXVUDUZEM-GFCCVEGCSA-N 1 1 336.392 1.360 10 5 EDBEMO CC[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000181096598 442680065 /nfs/dbraw/zinc/68/00/65/442680065.db2.gz HCSDHYXVUDUZEM-GFCCVEGCSA-N 1 1 336.392 1.360 10 5 EDBEMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000194150743 442852456 /nfs/dbraw/zinc/85/24/56/442852456.db2.gz AFYGLLPEOOHLQO-GFCCVEGCSA-N 1 1 334.376 1.442 10 5 EDBEMO C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCOCC1 ZINC000255886497 443113128 /nfs/dbraw/zinc/11/31/28/443113128.db2.gz JQERPYXSWZTHNR-UTQLBYGMSA-N 1 1 345.399 1.787 10 5 EDBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000175039501 529407488 /nfs/dbraw/zinc/40/74/88/529407488.db2.gz MFFZBCXSDUPVKQ-HUUCEWRRSA-N 1 1 332.404 1.752 10 5 EDBEMO C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 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334.401 1.257 10 5 EDBEMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c([N+](=O)[O-])c1 ZINC000105883749 204176675 /nfs/dbraw/zinc/17/66/75/204176675.db2.gz IZBIYTPDSCVUTQ-LBPRGKRZSA-N 1 1 344.375 1.197 10 5 EDBEMO CC[N@H+]1CCC[C@H]1CN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000106379386 204190833 /nfs/dbraw/zinc/19/08/33/204190833.db2.gz JFAGLNLNULEYDP-HOTGVXAUSA-N 1 1 337.420 1.751 10 5 EDBEMO Cc1c(CC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000126190621 205045770 /nfs/dbraw/zinc/04/57/70/205045770.db2.gz VNQIBEBOZCXKQH-CXAGYDPISA-N 1 1 347.415 1.625 10 5 EDBEMO CC[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C[C@@H](C)O ZINC000174590557 207036137 /nfs/dbraw/zinc/03/61/37/207036137.db2.gz RCZACWNVBJAPND-UKRRQHHQSA-N 1 1 335.404 1.441 10 5 EDBEMO CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000194148781 273000759 /nfs/dbraw/zinc/00/07/59/273000759.db2.gz ODJKVRJEIRKBBW-ZDUSSCGKSA-N 1 1 334.376 1.442 10 5 EDBEMO COCC[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000117296096 441868822 /nfs/dbraw/zinc/86/88/22/441868822.db2.gz LPHCPIOBXUKCHT-ZDUSSCGKSA-N 1 1 337.376 1.153 10 5 EDBEMO COCC[N@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000117296096 441868825 /nfs/dbraw/zinc/86/88/25/441868825.db2.gz LPHCPIOBXUKCHT-ZDUSSCGKSA-N 1 1 337.376 1.153 10 5 EDBEMO CCOCC[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000173805033 441843433 /nfs/dbraw/zinc/84/34/33/441843433.db2.gz GMNASCBTJIMPFA-CQSZACIVSA-N 1 1 335.404 1.707 10 5 EDBEMO CCOCC[N@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000173805033 441843437 /nfs/dbraw/zinc/84/34/37/441843437.db2.gz GMNASCBTJIMPFA-CQSZACIVSA-N 1 1 335.404 1.707 10 5 EDBEMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174879793 441978945 /nfs/dbraw/zinc/97/89/45/441978945.db2.gz NGMBWLRQGWAGKZ-LBPRGKRZSA-N 1 1 339.396 1.780 10 5 EDBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189263567 442908368 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318540160 /nfs/dbraw/zinc/54/01/60/318540160.db2.gz MTEWDFQMOFBAKE-OAHLLOKOSA-N 1 1 336.392 1.193 10 5 EDBEMO CC[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000247381321 139146609 /nfs/dbraw/zinc/14/66/09/139146609.db2.gz VXAJOABNDMJUJZ-GJZGRUSLSA-N 1 1 337.420 1.751 10 5 EDBEMO CC[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000137042642 441741406 /nfs/dbraw/zinc/74/14/06/441741406.db2.gz KGNCJGUYEPGLAG-RDJZCZTQSA-N 1 1 337.420 1.671 10 5 EDBEMO COCC[N@@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000117294475 441868572 /nfs/dbraw/zinc/86/85/72/441868572.db2.gz AFFPOBNOULOYBC-LHRNQBEKSA-N 1 1 333.388 1.787 10 5 EDBEMO COCC[N@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000117294475 441868575 /nfs/dbraw/zinc/86/85/75/441868575.db2.gz AFFPOBNOULOYBC-LHRNQBEKSA-N 1 1 333.388 1.787 10 5 EDBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000173725823 529408234 /nfs/dbraw/zinc/40/82/34/529408234.db2.gz 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