smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000195450657 395827766 /nfs/dbraw/zinc/82/77/66/395827766.db2.gz UZNSBJXSZBRXAH-LBPRGKRZSA-N 1 1 307.354 0.796 10 5 DCBEMO CC(C)C[C@H](CO)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000185313995 396325049 /nfs/dbraw/zinc/32/50/49/396325049.db2.gz DPBNQCQUWSQGQC-YPMHNXCESA-N 1 1 300.359 0.491 10 5 DCBEMO CCc1n[nH]c(C(=O)N2CCN(CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000189617721 396397179 /nfs/dbraw/zinc/39/71/79/396397179.db2.gz GGCKRFUNKDPUHA-VIFPVBQESA-N 1 1 311.342 0.019 10 5 DCBEMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000590456409 396784817 /nfs/dbraw/zinc/78/48/17/396784817.db2.gz NWRJXJNWSYAUAW-CQSZACIVSA-N 1 1 307.354 0.979 10 5 DCBEMO O=C(CC[N@H+]1CCNC(=O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000065955328 158034800 /nfs/dbraw/zinc/03/48/00/158034800.db2.gz ZNYJXXKHHZKIQB-UHFFFAOYSA-N 1 1 306.322 0.745 10 5 DCBEMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000075746965 158063372 /nfs/dbraw/zinc/06/33/72/158063372.db2.gz QJNFFGPVQBERER-QZGMINCNSA-N 1 1 310.354 0.245 10 5 DCBEMO C[C@@H]1C[N@@H+](C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)CCO1 ZINC000176237175 416122053 /nfs/dbraw/zinc/12/20/53/416122053.db2.gz PHLWQPIBCSDAKX-CYBMUJFWSA-N 1 1 323.397 0.976 10 5 DCBEMO C[C@@H]1C[N@H+](C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)CCO1 ZINC000176237175 416122058 /nfs/dbraw/zinc/12/20/58/416122058.db2.gz PHLWQPIBCSDAKX-CYBMUJFWSA-N 1 1 323.397 0.976 10 5 DCBEMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000362651623 262055940 /nfs/dbraw/zinc/05/59/40/262055940.db2.gz HRZFTZFTMJZYBA-LLVKDONJSA-N 1 1 310.358 0.280 10 5 DCBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000363796742 262131468 /nfs/dbraw/zinc/13/14/68/262131468.db2.gz CWGIARLXFPUSPA-HUUCEWRRSA-N 1 1 307.350 0.645 10 5 DCBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000363796742 262131470 /nfs/dbraw/zinc/13/14/70/262131470.db2.gz CWGIARLXFPUSPA-HUUCEWRRSA-N 1 1 307.350 0.645 10 5 DCBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161441513 525086921 /nfs/dbraw/zinc/08/69/21/525086921.db2.gz HRRSTIDPGMCJSM-VXGBXAGGSA-N 1 1 322.369 0.669 10 5 DCBEMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1CCO ZINC000187302934 200091446 /nfs/dbraw/zinc/09/14/46/200091446.db2.gz LVKMAJOBRCDMEZ-SNVBAGLBSA-N 1 1 308.338 0.316 10 5 DCBEMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+]1CCO ZINC000187302934 200091448 /nfs/dbraw/zinc/09/14/48/200091448.db2.gz LVKMAJOBRCDMEZ-SNVBAGLBSA-N 1 1 308.338 0.316 10 5 DCBEMO O=[N+]([O-])c1ccc2[nH]c(N3CC[N@@H+]4CCOC[C@H]4C3)nc2c1 ZINC000408454207 285149158 /nfs/dbraw/zinc/14/91/58/285149158.db2.gz UOUCHVXXYIOTOA-LLVKDONJSA-N 1 1 303.322 0.992 10 5 DCBEMO O=[N+]([O-])c1ccc2[nH]c(N3CC[N@H+]4CCOC[C@H]4C3)nc2c1 ZINC000408454207 285149162 /nfs/dbraw/zinc/14/91/62/285149162.db2.gz UOUCHVXXYIOTOA-LLVKDONJSA-N 1 1 303.322 0.992 10 5 DCBEMO CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000195447375 395827339 /nfs/dbraw/zinc/82/73/39/395827339.db2.gz OTKOMVPGCQUOEB-LLVKDONJSA-N 1 1 308.338 0.357 10 5 DCBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245421628 395929128 /nfs/dbraw/zinc/92/91/28/395929128.db2.gz IBJMULKHHCXYTK-VNHYZAJKSA-N 1 1 323.397 0.711 10 5 DCBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000245583355 395932237 /nfs/dbraw/zinc/93/22/37/395932237.db2.gz KNGZGFVLBGCNGX-STQMWFEESA-N 1 1 306.366 0.925 10 5 DCBEMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@@H]2C1 ZINC000192919779 396440353 /nfs/dbraw/zinc/44/03/53/396440353.db2.gz WBOGITXBUSJHFP-DTORHVGOSA-N 1 1 317.392 0.838 10 5 DCBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000174857570 416088095 /nfs/dbraw/zinc/08/80/95/416088095.db2.gz OPMLSTPPLCSGEO-CQSZACIVSA-N 1 1 323.397 0.978 10 5 DCBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180565777 416199784 /nfs/dbraw/zinc/19/97/84/416199784.db2.gz JXLMUNXLQBZKKQ-NXEZZACHSA-N 1 1 305.338 0.881 10 5 DCBEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H]1C ZINC000183607418 416247433 /nfs/dbraw/zinc/24/74/33/416247433.db2.gz IMZHSVSCMDNXPV-WDEREUQCSA-N 1 1 323.353 0.909 10 5 DCBEMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H]1C ZINC000183607418 416247435 /nfs/dbraw/zinc/24/74/35/416247435.db2.gz IMZHSVSCMDNXPV-WDEREUQCSA-N 1 1 323.353 0.909 10 5 DCBEMO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)nn21 ZINC000373673087 416962276 /nfs/dbraw/zinc/96/22/76/416962276.db2.gz LCIFRWWGNUIJRX-GHMZBOCLSA-N 1 1 318.337 0.913 10 5 DCBEMO CC(=O)[C@](C)(O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450573579 417240009 /nfs/dbraw/zinc/24/00/09/417240009.db2.gz XNNHDDDWYFNFGJ-SMDDNHRTSA-N 1 1 308.338 0.816 10 5 DCBEMO CCOC(=O)[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC12COC2 ZINC000451144856 417305364 /nfs/dbraw/zinc/30/53/64/417305364.db2.gz YKKJYGGRTPGULO-NSHDSACASA-N 1 1 324.337 0.303 10 5 DCBEMO CCc1n[nH]c(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000284847302 536000250 /nfs/dbraw/zinc/00/02/50/536000250.db2.gz CPGBAORHCXUJQM-MNOVXSKESA-N 1 1 323.353 0.425 10 5 DCBEMO CCc1[nH]nc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000284847302 536000256 /nfs/dbraw/zinc/00/02/56/536000256.db2.gz CPGBAORHCXUJQM-MNOVXSKESA-N 1 1 323.353 0.425 10 5 DCBEMO CCc1[nH]nc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000284847302 536000257 /nfs/dbraw/zinc/00/02/57/536000257.db2.gz CPGBAORHCXUJQM-MNOVXSKESA-N 1 1 323.353 0.425 10 5 DCBEMO Cc1c(CC(=O)N2CC[N@H+](CCO)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000188740407 200298104 /nfs/dbraw/zinc/29/81/04/200298104.db2.gz ZSDWBESTRLULHW-GFCCVEGCSA-N 1 1 321.377 0.971 10 5 DCBEMO Cc1c(CC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000188740407 200298106 /nfs/dbraw/zinc/29/81/06/200298106.db2.gz ZSDWBESTRLULHW-GFCCVEGCSA-N 1 1 321.377 0.971 10 5 DCBEMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000177687725 396181056 /nfs/dbraw/zinc/18/10/56/396181056.db2.gz PEJXGYFUBHOFTB-ZDUSSCGKSA-N 1 1 318.333 0.840 10 5 DCBEMO COC(=O)c1cnc(N2CC[N@@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000364583350 397224133 /nfs/dbraw/zinc/22/41/33/397224133.db2.gz RYAHJOYAIYYMCQ-NSHDSACASA-N 1 1 322.321 0.297 10 5 DCBEMO COC(=O)c1cnc(N2CC[N@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000364583350 397224139 /nfs/dbraw/zinc/22/41/39/397224139.db2.gz RYAHJOYAIYYMCQ-NSHDSACASA-N 1 1 322.321 0.297 10 5 DCBEMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000131544076 158303332 /nfs/dbraw/zinc/30/33/32/158303332.db2.gz WRDPVFUNTHTLRF-NSHDSACASA-N 1 1 322.365 0.706 10 5 DCBEMO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000187291777 416261004 /nfs/dbraw/zinc/26/10/04/416261004.db2.gz AMPLWDMGMAMBJV-GFCCVEGCSA-N 1 1 323.349 0.499 10 5 DCBEMO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000187291777 416261007 /nfs/dbraw/zinc/26/10/07/416261007.db2.gz AMPLWDMGMAMBJV-GFCCVEGCSA-N 1 1 323.349 0.499 10 5 DCBEMO CNC(=O)[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000183644377 261116353 /nfs/dbraw/zinc/11/63/53/261116353.db2.gz RCCGZYKHMYWDEX-ZDUSSCGKSA-N 1 1 308.338 0.894 10 5 DCBEMO CCc1n[nH]c(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000284847309 536001264 /nfs/dbraw/zinc/00/12/64/536001264.db2.gz CPGBAORHCXUJQM-WDEREUQCSA-N 1 1 323.353 0.425 10 5 DCBEMO CCc1[nH]nc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000284847309 536001268 /nfs/dbraw/zinc/00/12/68/536001268.db2.gz CPGBAORHCXUJQM-WDEREUQCSA-N 1 1 323.353 0.425 10 5 DCBEMO CCc1[nH]nc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000284847309 536001272 /nfs/dbraw/zinc/00/12/72/536001272.db2.gz CPGBAORHCXUJQM-WDEREUQCSA-N 1 1 323.353 0.425 10 5 DCBEMO C[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118105420 395859496 /nfs/dbraw/zinc/85/94/96/395859496.db2.gz WYRKZCAOCYDASA-LBPRGKRZSA-N 1 1 306.322 0.744 10 5 DCBEMO CCn1cc[nH+]c1Cn1cc(C(=O)OC)cc([N+](=O)[O-])c1=O ZINC000195517436 395830367 /nfs/dbraw/zinc/83/03/67/395830367.db2.gz RSTWVFZOVBTFNI-UHFFFAOYSA-N 1 1 306.278 0.808 10 5 DCBEMO Cn1cc([C@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000246830012 395958708 /nfs/dbraw/zinc/95/87/08/395958708.db2.gz YDKJMVDGRSMPPX-ZIAGYGMSSA-N 1 1 320.353 0.723 10 5 DCBEMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3cccnn3)CC2)n1 ZINC000176224945 396151485 /nfs/dbraw/zinc/15/14/85/396151485.db2.gz JGVWZTMLRWMFDD-UHFFFAOYSA-N 1 1 303.326 0.404 10 5 DCBEMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[N@H+](C2CC2)CC1 ZINC000061604038 158028828 /nfs/dbraw/zinc/02/88/28/158028828.db2.gz YYQZIFHLVLYCNP-UHFFFAOYSA-N 1 1 307.354 0.878 10 5 DCBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000054455377 286896855 /nfs/dbraw/zinc/89/68/55/286896855.db2.gz CUDQJWUZTYKZPM-UHFFFAOYSA-N 1 1 308.338 0.750 10 5 DCBEMO C[C@@H](O)C[N@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000131812264 287002048 /nfs/dbraw/zinc/00/20/48/287002048.db2.gz XSZBMBYTCPHEBN-QWHCGFSZSA-N 1 1 324.381 0.143 10 5 DCBEMO CC[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1CCOC ZINC000174849446 416088396 /nfs/dbraw/zinc/08/83/96/416088396.db2.gz VXSAFVVMHWPKMH-CYBMUJFWSA-N 1 1 311.386 0.834 10 5 DCBEMO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000187291793 416261442 /nfs/dbraw/zinc/26/14/42/416261442.db2.gz AMPLWDMGMAMBJV-LBPRGKRZSA-N 1 1 323.349 0.499 10 5 DCBEMO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000187291793 416261444 /nfs/dbraw/zinc/26/14/44/416261444.db2.gz AMPLWDMGMAMBJV-LBPRGKRZSA-N 1 1 323.349 0.499 10 5 DCBEMO C[N@H+]1CCO[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])C[C@@H]21 ZINC000153152990 277125282 /nfs/dbraw/zinc/12/52/82/277125282.db2.gz KBVHEQWGNVPSAW-DTWKUNHWSA-N 1 1 309.351 0.823 10 5 DCBEMO C[C@H]1C[C@@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000161730434 534095580 /nfs/dbraw/zinc/09/55/80/534095580.db2.gz SLDSQCYQNOQQNG-RYUDHWBXSA-N 1 1 324.385 0.915 10 5 DCBEMO C[N@@H+]1C[C@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000193635494 395775455 /nfs/dbraw/zinc/77/54/55/395775455.db2.gz QDYWJBBMANKHDO-BETUJISGSA-N 1 1 304.350 0.687 10 5 DCBEMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155374555 396050572 /nfs/dbraw/zinc/05/05/72/396050572.db2.gz FYKDYSFUBOORDP-CMPLNLGQSA-N 1 1 309.370 0.945 10 5 DCBEMO C[C@H]1C(=O)NCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000189324572 396393526 /nfs/dbraw/zinc/39/35/26/396393526.db2.gz GKRKMGHEAZSOSV-RYUDHWBXSA-N 1 1 323.349 0.545 10 5 DCBEMO C[C@H]1C(=O)NCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000189324572 396393527 /nfs/dbraw/zinc/39/35/27/396393527.db2.gz GKRKMGHEAZSOSV-RYUDHWBXSA-N 1 1 323.349 0.545 10 5 DCBEMO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)N1 ZINC000192673675 396435126 /nfs/dbraw/zinc/43/51/26/396435126.db2.gz SEWUZCBKQYARBQ-GFCCVEGCSA-N 1 1 310.335 0.830 10 5 DCBEMO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)N1 ZINC000192673675 396435127 /nfs/dbraw/zinc/43/51/27/396435127.db2.gz SEWUZCBKQYARBQ-GFCCVEGCSA-N 1 1 310.335 0.830 10 5 DCBEMO CCc1nn(C)c(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408030645 160016408 /nfs/dbraw/zinc/01/64/08/160016408.db2.gz MLTQVAUSNWARAW-NEPJUHHUSA-N 1 1 309.370 0.800 10 5 DCBEMO CC(C)(C(=O)N1CC[N@H+]2CCC[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000408088894 160033510 /nfs/dbraw/zinc/03/35/10/160033510.db2.gz HMKZTOCPYJTDDG-NSHDSACASA-N 1 1 307.354 0.833 10 5 DCBEMO CC(C)c1[nH+]ccn1CCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000732963615 665024379 /nfs/dbraw/zinc/02/43/79/665024379.db2.gz MBBYMFRUQAHFFQ-UHFFFAOYSA-N 1 1 307.314 0.323 10 5 DCBEMO Cn1cc([C@@H]2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000173653902 198236373 /nfs/dbraw/zinc/23/63/73/198236373.db2.gz RNBXXBRUUKVXSU-RISCZKNCSA-N 1 1 320.353 0.375 10 5 DCBEMO Cc1[nH]nc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000285623751 131187496 /nfs/dbraw/zinc/18/74/96/131187496.db2.gz DPIOVDNPRGHCKY-ZJUUUORDSA-N 1 1 309.326 0.171 10 5 DCBEMO Cc1[nH]nc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000285623751 131187497 /nfs/dbraw/zinc/18/74/97/131187497.db2.gz DPIOVDNPRGHCKY-ZJUUUORDSA-N 1 1 309.326 0.171 10 5 DCBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000247081071 395965315 /nfs/dbraw/zinc/96/53/15/395965315.db2.gz ZIRQOUSSWIMXKR-NEPJUHHUSA-N 1 1 307.354 0.877 10 5 DCBEMO Cn1cc([C@@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000247176489 395967582 /nfs/dbraw/zinc/96/75/82/395967582.db2.gz RNBXXBRUUKVXSU-BXUZGUMPSA-N 1 1 320.353 0.375 10 5 DCBEMO Cn1cc([C@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000247176503 395967748 /nfs/dbraw/zinc/96/77/48/395967748.db2.gz RNBXXBRUUKVXSU-SMDDNHRTSA-N 1 1 320.353 0.375 10 5 DCBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000247342489 395971812 /nfs/dbraw/zinc/97/18/12/395971812.db2.gz HRRSTIDPGMCJSM-RYUDHWBXSA-N 1 1 322.369 0.669 10 5 DCBEMO CC(C)[N@@H+]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000155641955 396055320 /nfs/dbraw/zinc/05/53/20/396055320.db2.gz IJJFSQLVZKRJBR-AAEUAGOBSA-N 1 1 322.365 0.601 10 5 DCBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000610524037 397828638 /nfs/dbraw/zinc/82/86/38/397828638.db2.gz ULFZMYOMLAGZPZ-NSHDSACASA-N 1 1 319.325 0.382 10 5 DCBEMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+][C@@H](C)C1 ZINC000088059384 158093566 /nfs/dbraw/zinc/09/35/66/158093566.db2.gz CRMWTOITIJBIAU-VIFPVBQESA-N 1 1 315.351 0.586 10 5 DCBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000174854620 416088023 /nfs/dbraw/zinc/08/80/23/416088023.db2.gz DWPDSVBXWNPVQO-LBPRGKRZSA-N 1 1 305.342 0.795 10 5 DCBEMO COc1cc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000187289169 200089448 /nfs/dbraw/zinc/08/94/48/200089448.db2.gz ASNHZUJVCNOCCQ-NSHDSACASA-N 1 1 323.349 0.742 10 5 DCBEMO COc1cc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000187289169 200089449 /nfs/dbraw/zinc/08/94/49/200089449.db2.gz ASNHZUJVCNOCCQ-NSHDSACASA-N 1 1 323.349 0.742 10 5 DCBEMO C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000189259473 237394972 /nfs/dbraw/zinc/39/49/72/237394972.db2.gz USFMVXYOVIWMGO-JTQLQIEISA-N 1 1 309.326 0.520 10 5 DCBEMO C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000189259473 237394977 /nfs/dbraw/zinc/39/49/77/237394977.db2.gz USFMVXYOVIWMGO-JTQLQIEISA-N 1 1 309.326 0.520 10 5 DCBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000113228515 395828368 /nfs/dbraw/zinc/82/83/68/395828368.db2.gz DCMDILRDYSALND-NWDGAFQWSA-N 1 1 320.349 0.452 10 5 DCBEMO CC[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C[C@H](C)O ZINC000245408286 287068748 /nfs/dbraw/zinc/06/87/48/287068748.db2.gz GMPOJGCGGKWPQF-STQMWFEESA-N 1 1 311.386 0.568 10 5 DCBEMO COC(=O)c1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC000301679677 416088779 /nfs/dbraw/zinc/08/87/79/416088779.db2.gz ULQMLGOTJFNTBG-KGLIPLIRSA-N 1 1 321.333 0.901 10 5 DCBEMO CCOc1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358051278 416179227 /nfs/dbraw/zinc/17/92/27/416179227.db2.gz BPTYIIQOPCCZNK-HNNXBMFYSA-N 1 1 323.349 0.790 10 5 DCBEMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CC3CC3)CC2)n1 ZINC000191778657 416289163 /nfs/dbraw/zinc/28/91/63/416289163.db2.gz QURQXEQAZJCUMD-UHFFFAOYSA-N 1 1 307.354 0.979 10 5 DCBEMO CCOC(=O)[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC12COC2 ZINC000451132265 417303165 /nfs/dbraw/zinc/30/31/65/417303165.db2.gz IOBQGBAWXKRZAY-LBPRGKRZSA-N 1 1 324.337 0.303 10 5 DCBEMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1N1CCOCC1 ZINC000246502918 395951619 /nfs/dbraw/zinc/95/16/19/395951619.db2.gz QAHROEBZXNFHNR-CHWSQXEVSA-N 1 1 309.370 0.444 10 5 DCBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000179169604 396223062 /nfs/dbraw/zinc/22/30/62/396223062.db2.gz TZJCXHZYTLHITB-CHWSQXEVSA-N 1 1 323.349 0.659 10 5 DCBEMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000611242255 396843450 /nfs/dbraw/zinc/84/34/50/396843450.db2.gz PILSQBWRLWLLPU-CYBMUJFWSA-N 1 1 319.365 0.908 10 5 DCBEMO CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183584213 416246163 /nfs/dbraw/zinc/24/61/63/416246163.db2.gz GHBLKGCFEGZUHA-LLVKDONJSA-N 1 1 323.353 0.910 10 5 DCBEMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C ZINC000054371022 295255292 /nfs/dbraw/zinc/25/52/92/295255292.db2.gz KCPRMKPCXKZJPY-VIFPVBQESA-N 1 1 315.351 0.586 10 5 DCBEMO C[C@@H]1C[N@H+](C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000157968951 524923838 /nfs/dbraw/zinc/92/38/38/524923838.db2.gz FJJUDSQAGGIQFO-CYBMUJFWSA-N 1 1 323.397 0.976 10 5 DCBEMO C[C@@H]1CN(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000157968951 524923850 /nfs/dbraw/zinc/92/38/50/524923850.db2.gz FJJUDSQAGGIQFO-CYBMUJFWSA-N 1 1 323.397 0.976 10 5 DCBEMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246966601 527088066 /nfs/dbraw/zinc/08/80/66/527088066.db2.gz FYKDYSFUBOORDP-ZYHUDNBSSA-N 1 1 309.370 0.945 10 5 DCBEMO Cn1cc([C@H]2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000173653914 198236392 /nfs/dbraw/zinc/23/63/92/198236392.db2.gz RNBXXBRUUKVXSU-FZMZJTMJSA-N 1 1 320.353 0.375 10 5 DCBEMO O=C1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1 ZINC000073460348 191317910 /nfs/dbraw/zinc/31/79/10/191317910.db2.gz VHBGVDBOALZLTO-LBPRGKRZSA-N 1 1 309.322 0.156 10 5 DCBEMO CC(=O)N[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159757599 291236595 /nfs/dbraw/zinc/23/65/95/291236595.db2.gz PFVCOJKJKLDYOK-LBPRGKRZSA-N 1 1 308.338 0.357 10 5 DCBEMO CC(=O)N[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159757599 291236597 /nfs/dbraw/zinc/23/65/97/291236597.db2.gz PFVCOJKJKLDYOK-LBPRGKRZSA-N 1 1 308.338 0.357 10 5 DCBEMO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCOC[C@H]3C2)c2nonc21 ZINC000364888018 285126258 /nfs/dbraw/zinc/12/62/58/285126258.db2.gz XVOCXIKZKDXNRF-SECBINFHSA-N 1 1 305.294 0.652 10 5 DCBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCOC[C@H]3C2)c2nonc21 ZINC000364888018 285126259 /nfs/dbraw/zinc/12/62/59/285126259.db2.gz XVOCXIKZKDXNRF-SECBINFHSA-N 1 1 305.294 0.652 10 5 DCBEMO CCc1nn(C)c(N2CC[NH+]([C@@H](CC)CO)CC2)c1[N+](=O)[O-] ZINC000091727928 395726976 /nfs/dbraw/zinc/72/69/76/395726976.db2.gz RTJSUNLYSLQBTI-NSHDSACASA-N 1 1 311.386 0.784 10 5 DCBEMO C[C@@H]1C(=O)NCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248888751 395999661 /nfs/dbraw/zinc/99/96/61/395999661.db2.gz ANNOYOFYBLLIPE-DGCLKSJQSA-N 1 1 323.349 0.545 10 5 DCBEMO C[C@@H]1C(=O)NCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248888751 395999662 /nfs/dbraw/zinc/99/96/62/395999662.db2.gz ANNOYOFYBLLIPE-DGCLKSJQSA-N 1 1 323.349 0.545 10 5 DCBEMO CC[N@H+]1CCC[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151289188 395983125 /nfs/dbraw/zinc/98/31/25/395983125.db2.gz HVFHBBKUOSDQSA-LLVKDONJSA-N 1 1 310.358 0.575 10 5 DCBEMO C[C@]1(C(N)=O)CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000185973986 396338593 /nfs/dbraw/zinc/33/85/93/396338593.db2.gz BMNJTGPWHZBJTA-CQSZACIVSA-N 1 1 308.338 0.486 10 5 DCBEMO C[C@]1(C(N)=O)CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000185973986 396338595 /nfs/dbraw/zinc/33/85/95/396338595.db2.gz BMNJTGPWHZBJTA-CQSZACIVSA-N 1 1 308.338 0.486 10 5 DCBEMO Cc1cc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n[nH]1 ZINC000187266067 396365631 /nfs/dbraw/zinc/36/56/31/396365631.db2.gz RQVGBURMFGBIGU-UHFFFAOYSA-N 1 1 305.342 0.645 10 5 DCBEMO COCC[N@@H+](C)CCCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000126344938 158265252 /nfs/dbraw/zinc/26/52/52/158265252.db2.gz SBPIPPVCQOHMRK-UHFFFAOYSA-N 1 1 311.342 0.469 10 5 DCBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000408028450 160015907 /nfs/dbraw/zinc/01/59/07/160015907.db2.gz DRKOTVYFMPKBEM-NWDGAFQWSA-N 1 1 320.349 0.452 10 5 DCBEMO CNC(=O)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000183637408 416249134 /nfs/dbraw/zinc/24/91/34/416249134.db2.gz YBLBUISHPLNTAU-GFCCVEGCSA-N 1 1 308.338 0.554 10 5 DCBEMO NC(=O)c1ccc(N2CC[N@@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000371803502 416923301 /nfs/dbraw/zinc/92/33/01/416923301.db2.gz QBHOXLDABLXPAI-NSHDSACASA-N 1 1 306.322 0.215 10 5 DCBEMO NC(=O)c1ccc(N2CC[N@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000371803502 416923307 /nfs/dbraw/zinc/92/33/07/416923307.db2.gz QBHOXLDABLXPAI-NSHDSACASA-N 1 1 306.322 0.215 10 5 DCBEMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000302201713 274004726 /nfs/dbraw/zinc/00/47/26/274004726.db2.gz VKUVROWMCTXPFY-KBPBESRZSA-N 1 1 321.333 0.901 10 5 DCBEMO CCc1n[nH]c(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000284847305 536001732 /nfs/dbraw/zinc/00/17/32/536001732.db2.gz CPGBAORHCXUJQM-QWRGUYRKSA-N 1 1 323.353 0.425 10 5 DCBEMO CCc1[nH]nc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000284847305 536001738 /nfs/dbraw/zinc/00/17/38/536001738.db2.gz CPGBAORHCXUJQM-QWRGUYRKSA-N 1 1 323.353 0.425 10 5 DCBEMO CCc1[nH]nc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000284847305 536001744 /nfs/dbraw/zinc/00/17/44/536001744.db2.gz CPGBAORHCXUJQM-QWRGUYRKSA-N 1 1 323.353 0.425 10 5 DCBEMO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000187706801 237357669 /nfs/dbraw/zinc/35/76/69/237357669.db2.gz OFNPGLVAPGFKBK-CYBMUJFWSA-N 1 1 309.366 0.972 10 5 DCBEMO O=C1[C@H]([N@H+]2C[C@@H](O)C[C@@H]2CO)CCN1c1cccc([N+](=O)[O-])c1 ZINC000249278935 396005503 /nfs/dbraw/zinc/00/55/03/396005503.db2.gz FOJXZIVPHOUHME-HZSPNIEDSA-N 1 1 321.333 0.128 10 5 DCBEMO O=C1[C@H]([N@@H+]2C[C@@H](O)C[C@@H]2CO)CCN1c1cccc([N+](=O)[O-])c1 ZINC000249278935 396005507 /nfs/dbraw/zinc/00/55/07/396005507.db2.gz FOJXZIVPHOUHME-HZSPNIEDSA-N 1 1 321.333 0.128 10 5 DCBEMO [NH3+]Cc1nc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000262295954 396119970 /nfs/dbraw/zinc/11/99/70/396119970.db2.gz WTFDVQYPPLWGAG-UHFFFAOYSA-N 1 1 318.337 0.759 10 5 DCBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](Cn3cncn3)C2)n1 ZINC000176237517 396152386 /nfs/dbraw/zinc/15/23/86/396152386.db2.gz RWMCRWJGPQZUJY-LBPRGKRZSA-N 1 1 305.342 0.795 10 5 DCBEMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1N1CCOCC1 ZINC000177225436 416142288 /nfs/dbraw/zinc/14/22/88/416142288.db2.gz IQBHSHZLJINZGM-OCCSQVGLSA-N 1 1 309.370 0.444 10 5 DCBEMO C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000245442327 525247349 /nfs/dbraw/zinc/24/73/49/525247349.db2.gz HYEGXNPXWLKJGE-MBNYWOFBSA-N 1 1 311.386 0.567 10 5 DCBEMO O=[N+]([O-])c1c(N2CCC[N@H+](CCO)CC2)nc2ccccn21 ZINC000729263861 662761620 /nfs/dbraw/zinc/76/16/20/662761620.db2.gz NIFYTXSQTFZJBU-UHFFFAOYSA-N 1 1 305.338 0.747 10 5 DCBEMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]CC1 ZINC000021057077 182263760 /nfs/dbraw/zinc/26/37/60/182263760.db2.gz VCUOUKZUNPEMRI-UHFFFAOYSA-N 1 1 301.324 0.197 10 5 DCBEMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184512709 396297438 /nfs/dbraw/zinc/29/74/38/396297438.db2.gz RREKKSFALGIFRA-LLVKDONJSA-N 1 1 322.365 0.706 10 5 DCBEMO C[C@H]1C(=O)NCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000189291003 396392855 /nfs/dbraw/zinc/39/28/55/396392855.db2.gz ANNOYOFYBLLIPE-AAEUAGOBSA-N 1 1 323.349 0.545 10 5 DCBEMO C[C@H]1C(=O)NCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000189291003 396392857 /nfs/dbraw/zinc/39/28/57/396392857.db2.gz ANNOYOFYBLLIPE-AAEUAGOBSA-N 1 1 323.349 0.545 10 5 DCBEMO Cc1n[nH]c(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1[N+](=O)[O-] ZINC000266161059 287129778 /nfs/dbraw/zinc/12/97/78/287129778.db2.gz ITKBYEMCKITHPR-GXSJLCMTSA-N 1 1 323.353 0.419 10 5 DCBEMO CCc1nn(C)c(N2CCC([N@@H+](C)CCO)CC2)c1[N+](=O)[O-] ZINC000302076215 416098096 /nfs/dbraw/zinc/09/80/96/416098096.db2.gz YCJDGCPEMXNQII-UHFFFAOYSA-N 1 1 311.386 0.784 10 5 DCBEMO NC(=O)c1ccc(N2CC[N@@H+]3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000371803501 416922821 /nfs/dbraw/zinc/92/28/21/416922821.db2.gz QBHOXLDABLXPAI-LLVKDONJSA-N 1 1 306.322 0.215 10 5 DCBEMO NC(=O)c1ccc(N2CC[N@H+]3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000371803501 416922828 /nfs/dbraw/zinc/92/28/28/416922828.db2.gz QBHOXLDABLXPAI-LLVKDONJSA-N 1 1 306.322 0.215 10 5 DCBEMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](CCO)CC2)c1 ZINC000302072284 274004384 /nfs/dbraw/zinc/00/43/84/274004384.db2.gz FMJFDVCOZGENGV-UHFFFAOYSA-N 1 1 309.322 0.496 10 5 DCBEMO C[C@@H]1C[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000124643170 525416253 /nfs/dbraw/zinc/41/62/53/525416253.db2.gz XMZTWIHYYZANNA-VXGBXAGGSA-N 1 1 322.365 0.698 10 5 DCBEMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368823869 527403873 /nfs/dbraw/zinc/40/38/73/527403873.db2.gz JTSAKAOYPDEGCO-ZDUSSCGKSA-N 1 1 307.350 0.990 10 5 DCBEMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000368823869 527403877 /nfs/dbraw/zinc/40/38/77/527403877.db2.gz JTSAKAOYPDEGCO-ZDUSSCGKSA-N 1 1 307.350 0.990 10 5 DCBEMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246977710 395962936 /nfs/dbraw/zinc/96/29/36/395962936.db2.gz DUOOSYPMJMOITF-ZYHUDNBSSA-N 1 1 307.354 0.795 10 5 DCBEMO Cc1ccnc(N2CCC[N@@H+](CC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000080947145 396289146 /nfs/dbraw/zinc/28/91/46/396289146.db2.gz DUADWCBXOARVIB-UHFFFAOYSA-N 1 1 321.381 0.899 10 5 DCBEMO Cc1ccnc(N2CCC[N@H+](CC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000080947145 396289149 /nfs/dbraw/zinc/28/91/49/396289149.db2.gz DUADWCBXOARVIB-UHFFFAOYSA-N 1 1 321.381 0.899 10 5 DCBEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408183476 160054557 /nfs/dbraw/zinc/05/45/57/160054557.db2.gz RKCFETYPNRXLEL-WDEREUQCSA-N 1 1 308.342 0.272 10 5 DCBEMO COCC[N@H+]1CCC[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000069503879 415400038 /nfs/dbraw/zinc/40/00/38/415400038.db2.gz PSBBXAILXKPWML-NSHDSACASA-N 1 1 311.342 0.018 10 5 DCBEMO O=[N+]([O-])c1cccnc1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000095091869 415550004 /nfs/dbraw/zinc/55/00/04/415550004.db2.gz OZQFDZKMPHWDGD-UHFFFAOYSA-N 1 1 300.340 0.268 10 5 DCBEMO [NH3+]CC(F)(F)CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000162695487 659448473 /nfs/dbraw/zinc/44/84/73/659448473.db2.gz GNPSOGBMCHZCIR-UHFFFAOYSA-N 1 1 302.237 0.932 10 5 DCBEMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195450651 395827256 /nfs/dbraw/zinc/82/72/56/395827256.db2.gz UZNSBJXSZBRXAH-GFCCVEGCSA-N 1 1 307.354 0.796 10 5 DCBEMO C[C@H]1C(=O)NCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248994207 396001304 /nfs/dbraw/zinc/00/13/04/396001304.db2.gz GKRKMGHEAZSOSV-NWDGAFQWSA-N 1 1 323.349 0.545 10 5 DCBEMO C[C@H]1C(=O)NCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248994207 396001308 /nfs/dbraw/zinc/00/13/08/396001308.db2.gz GKRKMGHEAZSOSV-NWDGAFQWSA-N 1 1 323.349 0.545 10 5 DCBEMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000153124190 396021667 /nfs/dbraw/zinc/02/16/67/396021667.db2.gz MQBKACWLTFXNFW-ZIAGYGMSSA-N 1 1 320.349 0.474 10 5 DCBEMO Cn1cc([C@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000174780677 396139528 /nfs/dbraw/zinc/13/95/28/396139528.db2.gz YDKJMVDGRSMPPX-UONOGXRCSA-N 1 1 320.353 0.723 10 5 DCBEMO CN1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000191151255 396415709 /nfs/dbraw/zinc/41/57/09/396415709.db2.gz YJLIAVAGURKRHC-GFCCVEGCSA-N 1 1 323.349 0.499 10 5 DCBEMO CN1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000191151255 396415711 /nfs/dbraw/zinc/41/57/11/396415711.db2.gz YJLIAVAGURKRHC-GFCCVEGCSA-N 1 1 323.349 0.499 10 5 DCBEMO C[C@H](O)C[N@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000245604489 287071312 /nfs/dbraw/zinc/07/13/12/287071312.db2.gz XSZBMBYTCPHEBN-OLZOCXBDSA-N 1 1 324.381 0.143 10 5 DCBEMO COC(=O)c1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301679676 416087860 /nfs/dbraw/zinc/08/78/60/416087860.db2.gz ULQMLGOTJFNTBG-KBPBESRZSA-N 1 1 321.333 0.901 10 5 DCBEMO C[N@H+]1CCO[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@H]21 ZINC000301968198 416096887 /nfs/dbraw/zinc/09/68/87/416096887.db2.gz PGUKZBMAZRRGRL-NXEZZACHSA-N 1 1 304.310 0.157 10 5 DCBEMO O=C(Cn1cc([N+](=O)[O-])cn1)OCC[NH+]1CCSCC1 ZINC000177172472 658710573 /nfs/dbraw/zinc/71/05/73/658710573.db2.gz XYDSKCQUKCAYIO-UHFFFAOYSA-N 1 1 300.340 0.383 10 5 DCBEMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000131245751 669663607 /nfs/dbraw/zinc/66/36/07/669663607.db2.gz WYLNXAYOSLPEQE-GFCCVEGCSA-N 1 1 322.365 0.706 10 5 DCBEMO Cn1cc([C@@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000174780666 198384716 /nfs/dbraw/zinc/38/47/16/198384716.db2.gz YDKJMVDGRSMPPX-KBPBESRZSA-N 1 1 320.353 0.723 10 5 DCBEMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000106392458 194206685 /nfs/dbraw/zinc/20/66/85/194206685.db2.gz YXZFAUZKFRMBCT-LBPRGKRZSA-N 1 1 322.365 0.706 10 5 DCBEMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195049841 395814099 /nfs/dbraw/zinc/81/40/99/395814099.db2.gz NZPQRMDFGMGWPM-LBPRGKRZSA-N 1 1 307.354 0.796 10 5 DCBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000174854633 416087528 /nfs/dbraw/zinc/08/75/28/416087528.db2.gz DWPDSVBXWNPVQO-GFCCVEGCSA-N 1 1 305.342 0.795 10 5 DCBEMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000301661159 416088015 /nfs/dbraw/zinc/08/80/15/416088015.db2.gz MQBKACWLTFXNFW-KGLIPLIRSA-N 1 1 320.349 0.474 10 5 DCBEMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000368813737 416695884 /nfs/dbraw/zinc/69/58/84/416695884.db2.gz KARTVOOJXURVIH-AWEZNQCLSA-N 1 1 307.350 0.990 10 5 DCBEMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000368813737 416695889 /nfs/dbraw/zinc/69/58/89/416695889.db2.gz KARTVOOJXURVIH-AWEZNQCLSA-N 1 1 307.350 0.990 10 5 DCBEMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000302201717 274004639 /nfs/dbraw/zinc/00/46/39/274004639.db2.gz VKUVROWMCTXPFY-ZIAGYGMSSA-N 1 1 321.333 0.901 10 5 DCBEMO C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187721112 533916717 /nfs/dbraw/zinc/91/67/17/533916717.db2.gz GPRUZTGECUBWGJ-LBPRGKRZSA-N 1 1 322.365 0.532 10 5 DCBEMO C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187721112 533916727 /nfs/dbraw/zinc/91/67/27/533916727.db2.gz GPRUZTGECUBWGJ-LBPRGKRZSA-N 1 1 322.365 0.532 10 5 DCBEMO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187721093 534457425 /nfs/dbraw/zinc/45/74/25/534457425.db2.gz GPRUZTGECUBWGJ-GFCCVEGCSA-N 1 1 322.365 0.532 10 5 DCBEMO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187721093 534457429 /nfs/dbraw/zinc/45/74/29/534457429.db2.gz GPRUZTGECUBWGJ-GFCCVEGCSA-N 1 1 322.365 0.532 10 5 DCBEMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000284885791 536479833 /nfs/dbraw/zinc/47/98/33/536479833.db2.gz GFARHSSAVGQZCQ-CHWSQXEVSA-N 1 1 320.349 0.722 10 5 DCBEMO [NH3+]Cc1nc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)no1 ZINC000262149852 662116884 /nfs/dbraw/zinc/11/68/84/662116884.db2.gz FVLCHWOTPOJYEP-SECBINFHSA-N 1 1 319.325 0.518 10 5 DCBEMO CC[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1C[C@H](C)O ZINC000246159991 395943037 /nfs/dbraw/zinc/94/30/37/395943037.db2.gz IDFKOFXABYQPQO-STQMWFEESA-N 1 1 311.386 0.568 10 5 DCBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000247077413 395965645 /nfs/dbraw/zinc/96/56/45/395965645.db2.gz ZAQVCTATILHJFE-NEPJUHHUSA-N 1 1 307.354 0.877 10 5 DCBEMO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178604118 416166298 /nfs/dbraw/zinc/16/62/98/416166298.db2.gz IPEYUIHSXCVDAM-LLVKDONJSA-N 1 1 308.342 0.281 10 5 DCBEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000284885794 536469219 /nfs/dbraw/zinc/46/92/19/536469219.db2.gz GFARHSSAVGQZCQ-STQMWFEESA-N 1 1 320.349 0.722 10 5 DCBEMO C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187705895 237353382 /nfs/dbraw/zinc/35/33/82/237353382.db2.gz LNERDGPYEUZYIP-NSHDSACASA-N 1 1 322.365 0.192 10 5 DCBEMO C[N@@H+]1C[C@H]2CN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000193620563 395774646 /nfs/dbraw/zinc/77/46/46/395774646.db2.gz OUXXJHITYREQGO-MJBXVCDLSA-N 1 1 321.377 0.828 10 5 DCBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000247470462 395973895 /nfs/dbraw/zinc/97/38/95/395973895.db2.gz RUMNKNFFVCEBLX-WCQYABFASA-N 1 1 309.370 0.980 10 5 DCBEMO O=C(CC[N@@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000184731632 396304098 /nfs/dbraw/zinc/30/40/98/396304098.db2.gz JNFNXTGLMTUIKB-GHMZBOCLSA-N 1 1 309.322 0.351 10 5 DCBEMO CN1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000191159925 396416762 /nfs/dbraw/zinc/41/67/62/396416762.db2.gz LRNNHCSVBFECJM-ZDUSSCGKSA-N 1 1 323.349 0.499 10 5 DCBEMO CN1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000191159925 396416765 /nfs/dbraw/zinc/41/67/65/396416765.db2.gz LRNNHCSVBFECJM-ZDUSSCGKSA-N 1 1 323.349 0.499 10 5 DCBEMO Cn1cnc([N+](=O)[O-])c1N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000407964646 397339063 /nfs/dbraw/zinc/33/90/63/397339063.db2.gz UCWBOKTZSZDRHW-ZDUSSCGKSA-N 1 1 322.413 0.935 10 5 DCBEMO O=C(CC[N@H+]1CCNC(=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000065955338 158034526 /nfs/dbraw/zinc/03/45/26/158034526.db2.gz TWIKGXAVSSILDB-UHFFFAOYSA-N 1 1 306.322 0.745 10 5 DCBEMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+][C@H](C)C1 ZINC000088059383 158092967 /nfs/dbraw/zinc/09/29/67/158092967.db2.gz CRMWTOITIJBIAU-SECBINFHSA-N 1 1 315.351 0.586 10 5 DCBEMO COCC[N@H+]1CCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000170808843 416034297 /nfs/dbraw/zinc/03/42/97/416034297.db2.gz BSBQRQRBAYMBOU-NSHDSACASA-N 1 1 311.342 0.018 10 5 DCBEMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1N1CCOCC1 ZINC000177225455 416141868 /nfs/dbraw/zinc/14/18/68/416141868.db2.gz IQBHSHZLJINZGM-JSGCOSHPSA-N 1 1 309.370 0.444 10 5 DCBEMO COCC[N@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000131816167 523854189 /nfs/dbraw/zinc/85/41/89/523854189.db2.gz JFRCQCUPMUDUIB-CYBMUJFWSA-N 1 1 324.381 0.409 10 5 DCBEMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000155725029 524905329 /nfs/dbraw/zinc/90/53/29/524905329.db2.gz VLVJYESECKYJRQ-PHIMTYICSA-N 1 1 308.338 0.308 10 5 DCBEMO CCc1n[nH]c(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000284847299 536000354 /nfs/dbraw/zinc/00/03/54/536000354.db2.gz CPGBAORHCXUJQM-GHMZBOCLSA-N 1 1 323.353 0.425 10 5 DCBEMO CCc1[nH]nc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000284847299 536000357 /nfs/dbraw/zinc/00/03/57/536000357.db2.gz CPGBAORHCXUJQM-GHMZBOCLSA-N 1 1 323.353 0.425 10 5 DCBEMO CCc1[nH]nc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000284847299 536000360 /nfs/dbraw/zinc/00/03/60/536000360.db2.gz CPGBAORHCXUJQM-GHMZBOCLSA-N 1 1 323.353 0.425 10 5 DCBEMO COc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000021517436 662481988 /nfs/dbraw/zinc/48/19/88/662481988.db2.gz NJJSNLRWTLKBLF-SNVBAGLBSA-N 1 1 300.336 0.880 10 5 DCBEMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 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COC(=O)c1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301679678 416088643 /nfs/dbraw/zinc/08/86/43/416088643.db2.gz ULQMLGOTJFNTBG-UONOGXRCSA-N 1 1 321.333 0.901 10 5 DCBEMO C[N@H+]1CCO[C@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@@H]21 ZINC000301968199 416097666 /nfs/dbraw/zinc/09/76/66/416097666.db2.gz PGUKZBMAZRRGRL-UWVGGRQHSA-N 1 1 304.310 0.157 10 5 DCBEMO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000161700530 526468204 /nfs/dbraw/zinc/46/82/04/526468204.db2.gz CYXYMBCQADNMJD-LBPRGKRZSA-N 1 1 322.369 0.671 10 5 DCBEMO Cn1cc([C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cn1 ZINC000132083262 527319702 /nfs/dbraw/zinc/31/97/02/527319702.db2.gz DISFJMHMJIBCRP-LBPRGKRZSA-N 1 1 317.349 0.980 10 5 DCBEMO COc1ccc(C[NH2+][C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000021517437 662482000 /nfs/dbraw/zinc/48/20/00/662482000.db2.gz NJJSNLRWTLKBLF-JTQLQIEISA-N 1 1 300.336 0.880 10 5 DCBEMO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000187273919 200086545 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395828588 /nfs/dbraw/zinc/82/85/88/395828588.db2.gz DCMDILRDYSALND-VXGBXAGGSA-N 1 1 320.349 0.452 10 5 DCBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245421625 395929313 /nfs/dbraw/zinc/92/93/13/395929313.db2.gz IBJMULKHHCXYTK-IPYPFGDCSA-N 1 1 323.397 0.711 10 5 DCBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000247081091 395965843 /nfs/dbraw/zinc/96/58/43/395965843.db2.gz ZIRQOUSSWIMXKR-RYUDHWBXSA-N 1 1 307.354 0.877 10 5 DCBEMO O=C(CC[N@@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000184731656 396303618 /nfs/dbraw/zinc/30/36/18/396303618.db2.gz JNFNXTGLMTUIKB-MNOVXSKESA-N 1 1 309.322 0.351 10 5 DCBEMO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285987689 396367782 /nfs/dbraw/zinc/36/77/82/396367782.db2.gz YDCOTTOPJQXPHQ-KGLIPLIRSA-N 1 1 321.333 0.846 10 5 DCBEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285987689 396367783 /nfs/dbraw/zinc/36/77/83/396367783.db2.gz YDCOTTOPJQXPHQ-KGLIPLIRSA-N 1 1 321.333 0.846 10 5 DCBEMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000377809069 397144703 /nfs/dbraw/zinc/14/47/03/397144703.db2.gz KZKQAKAHUGMRJR-DGCLKSJQSA-N 1 1 306.326 0.712 10 5 DCBEMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000377809069 397144708 /nfs/dbraw/zinc/14/47/08/397144708.db2.gz KZKQAKAHUGMRJR-DGCLKSJQSA-N 1 1 306.326 0.712 10 5 DCBEMO O=C(CC[N@@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000184715418 416253065 /nfs/dbraw/zinc/25/30/65/416253065.db2.gz RSUHKHOMLUHFTN-CHWSQXEVSA-N 1 1 309.322 0.351 10 5 DCBEMO CNC(=O)c1ccc(N2CC[N@@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000371809060 277259066 /nfs/dbraw/zinc/25/90/66/277259066.db2.gz MSNPRJXMEOSSBI-LBPRGKRZSA-N 1 1 320.349 0.475 10 5 DCBEMO CNC(=O)c1ccc(N2CC[N@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000371809060 277259067 /nfs/dbraw/zinc/25/90/67/277259067.db2.gz MSNPRJXMEOSSBI-LBPRGKRZSA-N 1 1 320.349 0.475 10 5 DCBEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000119593155 158189827 /nfs/dbraw/zinc/18/98/27/158189827.db2.gz ZPUQXZPETRYKHA-SNVBAGLBSA-N 1 1 311.342 0.169 10 5 DCBEMO CC[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1C[C@@H](C)O ZINC000176232467 416121975 /nfs/dbraw/zinc/12/19/75/416121975.db2.gz IDFKOFXABYQPQO-OLZOCXBDSA-N 1 1 311.386 0.568 10 5 DCBEMO O=[N+]([O-])c1cnc2ccc(NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)nn21 ZINC000373673088 416961659 /nfs/dbraw/zinc/96/16/59/416961659.db2.gz LCIFRWWGNUIJRX-MNOVXSKESA-N 1 1 318.337 0.913 10 5 DCBEMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000302201716 274004718 /nfs/dbraw/zinc/00/47/18/274004718.db2.gz VKUVROWMCTXPFY-UONOGXRCSA-N 1 1 321.333 0.901 10 5 DCBEMO C[C@H]1C[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000124643800 524788754 /nfs/dbraw/zinc/78/87/54/524788754.db2.gz XMZTWIHYYZANNA-RYUDHWBXSA-N 1 1 322.365 0.698 10 5 DCBEMO O=C(CCn1cc([N+](=O)[O-])cn1)OCC[NH+]1CCSCC1 ZINC000127435079 668955047 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COCC[N@@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000174734843 274030519 /nfs/dbraw/zinc/03/05/19/274030519.db2.gz GCMJBIVEUYSWKF-LLVKDONJSA-N 1 1 322.365 0.851 10 5 DCBEMO COCC[N@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000174734843 274030520 /nfs/dbraw/zinc/03/05/20/274030520.db2.gz GCMJBIVEUYSWKF-LLVKDONJSA-N 1 1 322.365 0.851 10 5 DCBEMO O=C1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1 ZINC000181752215 199346953 /nfs/dbraw/zinc/34/69/53/199346953.db2.gz VBPBVEBRYNVHDJ-NSHDSACASA-N 1 1 309.322 0.156 10 5 DCBEMO Cc1c(CC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000188740434 200298592 /nfs/dbraw/zinc/29/85/92/200298592.db2.gz ZSDWBESTRLULHW-LBPRGKRZSA-N 1 1 321.377 0.971 10 5 DCBEMO Cc1c(CC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000188740434 200298593 /nfs/dbraw/zinc/29/85/93/200298593.db2.gz ZSDWBESTRLULHW-LBPRGKRZSA-N 1 1 321.377 0.971 10 5 DCBEMO CCc1nn(C)c(N2CC[NH+]([C@H](CC)CO)CC2)c1[N+](=O)[O-] ZINC000091727930 395727047 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323.353 0.182 10 5 DCBEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000408093010 160034151 /nfs/dbraw/zinc/03/41/51/160034151.db2.gz MTRPRXGHYHAHKQ-KGLIPLIRSA-N 1 1 321.333 0.846 10 5 DCBEMO O=C(CC[N@@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000184715444 416252726 /nfs/dbraw/zinc/25/27/26/416252726.db2.gz RSUHKHOMLUHFTN-OLZOCXBDSA-N 1 1 309.322 0.351 10 5 DCBEMO CC(=O)[C@@](C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000575830243 417554859 /nfs/dbraw/zinc/55/48/59/417554859.db2.gz POJFEWXZTAQBTH-AWEZNQCLSA-N 1 1 308.338 0.452 10 5 DCBEMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000362251794 262015619 /nfs/dbraw/zinc/01/56/19/262015619.db2.gz TWMPYJRFXOUJIQ-NSHDSACASA-N 1 1 310.358 0.377 10 5 DCBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000363796741 262131261 /nfs/dbraw/zinc/13/12/61/262131261.db2.gz CWGIARLXFPUSPA-GJZGRUSLSA-N 1 1 307.350 0.645 10 5 DCBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000363796741 262131262 /nfs/dbraw/zinc/13/12/62/262131262.db2.gz CWGIARLXFPUSPA-GJZGRUSLSA-N 1 1 307.350 0.645 10 5 DCBEMO O=[N+]([O-])c1c(N2CC[N@@H+]3CCOC[C@H]3C2)nc2sccn21 ZINC000371803454 275032559 /nfs/dbraw/zinc/03/25/59/275032559.db2.gz PPJKCLQGYYQTQW-SECBINFHSA-N 1 1 309.351 0.825 10 5 DCBEMO O=[N+]([O-])c1c(N2CC[N@H+]3CCOC[C@H]3C2)nc2sccn21 ZINC000371803454 275032560 /nfs/dbraw/zinc/03/25/60/275032560.db2.gz PPJKCLQGYYQTQW-SECBINFHSA-N 1 1 309.351 0.825 10 5 DCBEMO O=C1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1 ZINC000181752197 199347498 /nfs/dbraw/zinc/34/74/98/199347498.db2.gz VBPBVEBRYNVHDJ-LLVKDONJSA-N 1 1 309.322 0.156 10 5 DCBEMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000187273897 200086476 /nfs/dbraw/zinc/08/64/76/200086476.db2.gz VRCWFFSDUIDJPA-GFCCVEGCSA-N 1 1 307.350 0.662 10 5 DCBEMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000187273897 200086477 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10 5 DCBEMO Cc1cc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n[nH]1 ZINC000187164668 416260440 /nfs/dbraw/zinc/26/04/40/416260440.db2.gz WXMYUQKWOCAWOX-UHFFFAOYSA-N 1 1 305.342 0.645 10 5 DCBEMO C[C@@H]1CCCC[N@H+]1CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000128400869 524107135 /nfs/dbraw/zinc/10/71/35/524107135.db2.gz NEIHOIBPQRWRSK-GFCCVEGCSA-N 1 1 324.385 0.965 10 5 DCBEMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000172613081 198123670 /nfs/dbraw/zinc/12/36/70/198123670.db2.gz RUMNKNFFVCEBLX-YPMHNXCESA-N 1 1 309.370 0.980 10 5 DCBEMO CN(C)c1ncnc(NCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000040608369 183108899 /nfs/dbraw/zinc/10/88/99/183108899.db2.gz GRMMINZNKORTSY-UHFFFAOYSA-N 1 1 310.358 0.585 10 5 DCBEMO CCn1cc[nH+]c1Cn1cc([N+](=O)[O-])cc(C(=O)OC)c1=O ZINC000195517514 395830998 /nfs/dbraw/zinc/83/09/98/395830998.db2.gz IDTYBBHXRULKRZ-UHFFFAOYSA-N 1 1 306.278 0.808 10 5 DCBEMO CC(C)[N@@H+]1C[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000151362947 395984235 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312.326 0.180 10 5 DCBEMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000377809071 397145400 /nfs/dbraw/zinc/14/54/00/397145400.db2.gz KZKQAKAHUGMRJR-YPMHNXCESA-N 1 1 306.326 0.712 10 5 DCBEMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000377809071 397145405 /nfs/dbraw/zinc/14/54/05/397145405.db2.gz KZKQAKAHUGMRJR-YPMHNXCESA-N 1 1 306.326 0.712 10 5 DCBEMO C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000189259445 534366275 /nfs/dbraw/zinc/36/62/75/534366275.db2.gz USFMVXYOVIWMGO-SNVBAGLBSA-N 1 1 309.326 0.520 10 5 DCBEMO C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000189259445 534366288 /nfs/dbraw/zinc/36/62/88/534366288.db2.gz USFMVXYOVIWMGO-SNVBAGLBSA-N 1 1 309.326 0.520 10 5 DCBEMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195450837 395827805 /nfs/dbraw/zinc/82/78/05/395827805.db2.gz WBHMZLMMAAMPCT-LLVKDONJSA-N 1 1 306.322 0.063 10 5 DCBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179169617 396223404 /nfs/dbraw/zinc/22/34/04/396223404.db2.gz TZJCXHZYTLHITB-OLZOCXBDSA-N 1 1 323.349 0.659 10 5 DCBEMO C[C@@H]1C(=O)NCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000189324548 396393580 /nfs/dbraw/zinc/39/35/80/396393580.db2.gz GKRKMGHEAZSOSV-NEPJUHHUSA-N 1 1 323.349 0.545 10 5 DCBEMO C[C@@H]1C(=O)NCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000189324548 396393583 /nfs/dbraw/zinc/39/35/83/396393583.db2.gz GKRKMGHEAZSOSV-NEPJUHHUSA-N 1 1 323.349 0.545 10 5 DCBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000408028448 160015937 /nfs/dbraw/zinc/01/59/37/160015937.db2.gz DRKOTVYFMPKBEM-NEPJUHHUSA-N 1 1 320.349 0.452 10 5 DCBEMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000174765518 416086336 /nfs/dbraw/zinc/08/63/36/416086336.db2.gz SDNXDQIRWIEMIL-CYBMUJFWSA-N 1 1 320.353 0.755 10 5 DCBEMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000301661157 416087713 /nfs/dbraw/zinc/08/77/13/416087713.db2.gz MQBKACWLTFXNFW-KBPBESRZSA-N 1 1 320.349 0.474 10 5 DCBEMO O=[N+]([O-])c1cnc2ccc(N3CC[N@@H+]4CCOC[C@H]4C3)nn21 ZINC000369408154 275041682 /nfs/dbraw/zinc/04/16/82/275041682.db2.gz KFIMIGMKZAFISS-SNVBAGLBSA-N 1 1 304.310 0.158 10 5 DCBEMO O=[N+]([O-])c1cnc2ccc(N3CC[N@H+]4CCOC[C@H]4C3)nn21 ZINC000369408154 275041683 /nfs/dbraw/zinc/04/16/83/275041683.db2.gz KFIMIGMKZAFISS-SNVBAGLBSA-N 1 1 304.310 0.158 10 5 DCBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549234 185302289 /nfs/dbraw/zinc/30/22/89/185302289.db2.gz KNGZGFVLBGCNGX-QWHCGFSZSA-N 1 1 306.366 0.925 10 5 DCBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549233 185302492 /nfs/dbraw/zinc/30/24/92/185302492.db2.gz KNGZGFVLBGCNGX-CHWSQXEVSA-N 1 1 306.366 0.925 10 5 DCBEMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180872840 199222303 /nfs/dbraw/zinc/22/23/03/199222303.db2.gz NTZAWHAZJFUQMU-NSHDSACASA-N 1 1 322.365 0.706 10 5 DCBEMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159807313 291236372 /nfs/dbraw/zinc/23/63/72/291236372.db2.gz LJJCPFVBMAFAMQ-QWRGUYRKSA-N 1 1 308.338 0.342 10 5 DCBEMO CC[N@H+]1CCC[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151289127 395982939 /nfs/dbraw/zinc/98/29/39/395982939.db2.gz HVFHBBKUOSDQSA-NSHDSACASA-N 1 1 310.358 0.575 10 5 DCBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000179183121 396224033 /nfs/dbraw/zinc/22/40/33/396224033.db2.gz OPSUUFBWIYYJNA-CHWSQXEVSA-N 1 1 323.349 0.659 10 5 DCBEMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000371827990 396477920 /nfs/dbraw/zinc/47/79/20/396477920.db2.gz CCZZXUXCZLUGKE-AWEZNQCLSA-N 1 1 307.350 0.990 10 5 DCBEMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000371827990 396477921 /nfs/dbraw/zinc/47/79/21/396477921.db2.gz CCZZXUXCZLUGKE-AWEZNQCLSA-N 1 1 307.350 0.990 10 5 DCBEMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000590456408 396784378 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309.370 0.322 10 5 DCBEMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCN(C3CC3)CC2)c1 ZINC000173588108 416061677 /nfs/dbraw/zinc/06/16/77/416061677.db2.gz GYBUBOSRLRWTNJ-CQSZACIVSA-N 1 1 309.370 0.322 10 5 DCBEMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000174765512 416085569 /nfs/dbraw/zinc/08/55/69/416085569.db2.gz SDNXDQIRWIEMIL-ZDUSSCGKSA-N 1 1 320.353 0.755 10 5 DCBEMO CC[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C[C@@H](C)O ZINC000174849198 416088143 /nfs/dbraw/zinc/08/81/43/416088143.db2.gz GMPOJGCGGKWPQF-CHWSQXEVSA-N 1 1 311.386 0.568 10 5 DCBEMO O=[N+]([O-])c1cnc2ccc(N3CCN(c4[nH]cc[nH+]4)CC3)nn21 ZINC000357666664 416112796 /nfs/dbraw/zinc/11/27/96/416112796.db2.gz ZPNUMLQIGLETFX-UHFFFAOYSA-N 1 1 314.309 0.687 10 5 DCBEMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000535279476 416519630 /nfs/dbraw/zinc/51/96/30/416519630.db2.gz BSNGTCYAXPRUTF-LBPRGKRZSA-N 1 1 316.321 0.489 10 5 DCBEMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 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CXIZTZPXYIWEPS-VXGBXAGGSA-N 1 1 323.349 0.659 10 5 DCBEMO C[C@@H]1C(=O)NCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000189290984 396392745 /nfs/dbraw/zinc/39/27/45/396392745.db2.gz ANNOYOFYBLLIPE-YPMHNXCESA-N 1 1 323.349 0.545 10 5 DCBEMO C[C@@H]1C(=O)NCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000189290984 396392746 /nfs/dbraw/zinc/39/27/46/396392746.db2.gz ANNOYOFYBLLIPE-YPMHNXCESA-N 1 1 323.349 0.545 10 5 DCBEMO CC[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C[C@@H](C)O ZINC000174849208 416088443 /nfs/dbraw/zinc/08/84/43/416088443.db2.gz GMPOJGCGGKWPQF-OLZOCXBDSA-N 1 1 311.386 0.568 10 5 DCBEMO CC(=O)[C@](C)(O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450573575 417240369 /nfs/dbraw/zinc/24/03/69/417240369.db2.gz XNNHDDDWYFNFGJ-BXUZGUMPSA-N 1 1 308.338 0.816 10 5 DCBEMO COc1cc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000187289149 200089361 /nfs/dbraw/zinc/08/93/61/200089361.db2.gz ASNHZUJVCNOCCQ-LLVKDONJSA-N 1 1 323.349 0.742 10 5 DCBEMO COc1cc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000187289149 200089363 /nfs/dbraw/zinc/08/93/63/200089363.db2.gz ASNHZUJVCNOCCQ-LLVKDONJSA-N 1 1 323.349 0.742 10 5 DCBEMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113222513 395828183 /nfs/dbraw/zinc/82/81/83/395828183.db2.gz DUOOSYPMJMOITF-JQWIXIFHSA-N 1 1 307.354 0.795 10 5 DCBEMO O=c1ccc([N+](=O)[O-])cn1CCN1CC[N@H+]2CCCC[C@H]2C1 ZINC000245590549 395932519 /nfs/dbraw/zinc/93/25/19/395932519.db2.gz PAUWMFVCZUPPBN-ZDUSSCGKSA-N 1 1 306.366 0.927 10 5 DCBEMO O=C1[C@H]([N@H+]2C[C@H](O)C[C@@H]2CO)CCN1c1cccc([N+](=O)[O-])c1 ZINC000184730859 396304038 /nfs/dbraw/zinc/30/40/38/396304038.db2.gz FOJXZIVPHOUHME-MGPQQGTHSA-N 1 1 321.333 0.128 10 5 DCBEMO O=C1[C@H]([N@@H+]2C[C@H](O)C[C@@H]2CO)CCN1c1cccc([N+](=O)[O-])c1 ZINC000184730859 396304039 /nfs/dbraw/zinc/30/40/39/396304039.db2.gz FOJXZIVPHOUHME-MGPQQGTHSA-N 1 1 321.333 0.128 10 5 DCBEMO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@H]2C1 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1 1 310.358 0.280 10 5 DCBEMO COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1C ZINC000191691934 523850936 /nfs/dbraw/zinc/85/09/36/523850936.db2.gz JWKXDTFUKAYVFJ-LLVKDONJSA-N 1 1 322.365 0.970 10 5 DCBEMO COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1C ZINC000191691934 523850942 /nfs/dbraw/zinc/85/09/42/523850942.db2.gz JWKXDTFUKAYVFJ-LLVKDONJSA-N 1 1 322.365 0.970 10 5 DCBEMO COCC[N@@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000117293420 395852320 /nfs/dbraw/zinc/85/23/20/395852320.db2.gz XECBFOYTNDCBDW-NSHDSACASA-N 1 1 322.365 0.970 10 5 DCBEMO COCC[N@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000117293420 395852321 /nfs/dbraw/zinc/85/23/21/395852321.db2.gz XECBFOYTNDCBDW-NSHDSACASA-N 1 1 322.365 0.970 10 5 DCBEMO CC(C)C[C@@H](CO)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249408157 396008091 /nfs/dbraw/zinc/00/80/91/396008091.db2.gz DPBNQCQUWSQGQC-WCQYABFASA-N 1 1 300.359 0.491 10 5 DCBEMO C[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187263346 261122640 /nfs/dbraw/zinc/12/26/40/261122640.db2.gz ZSRZFLKRWDWRRH-LBPRGKRZSA-N 1 1 322.365 0.532 10 5 DCBEMO C[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187263346 261122641 /nfs/dbraw/zinc/12/26/41/261122641.db2.gz ZSRZFLKRWDWRRH-LBPRGKRZSA-N 1 1 322.365 0.532 10 5 DCBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000363796738 262131027 /nfs/dbraw/zinc/13/10/27/262131027.db2.gz CWGIARLXFPUSPA-CABCVRRESA-N 1 1 307.350 0.645 10 5 DCBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000363796738 262131030 /nfs/dbraw/zinc/13/10/30/262131030.db2.gz CWGIARLXFPUSPA-CABCVRRESA-N 1 1 307.350 0.645 10 5 DCBEMO CC[N@H+]1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000195447369 395827302 /nfs/dbraw/zinc/82/73/02/395827302.db2.gz OTKOMVPGCQUOEB-NSHDSACASA-N 1 1 308.338 0.357 10 5 DCBEMO COCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000152531262 396012153 /nfs/dbraw/zinc/01/21/53/396012153.db2.gz RGBCTZOCEHWQRY-UHFFFAOYSA-N 1 1 310.354 0.996 10 5 DCBEMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184296709 396290452 /nfs/dbraw/zinc/29/04/52/396290452.db2.gz HOWXTQQPJANOQB-JTQLQIEISA-N 1 1 323.353 0.413 10 5 DCBEMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000610808416 396766261 /nfs/dbraw/zinc/76/62/61/396766261.db2.gz JVHUNQZULBBAPM-CYBMUJFWSA-N 1 1 319.365 0.733 10 5 DCBEMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000131544328 158302850 /nfs/dbraw/zinc/30/28/50/158302850.db2.gz WRDPVFUNTHTLRF-LLVKDONJSA-N 1 1 322.365 0.706 10 5 DCBEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408183475 160054394 /nfs/dbraw/zinc/05/43/94/160054394.db2.gz RKCFETYPNRXLEL-QWRGUYRKSA-N 1 1 308.342 0.272 10 5 DCBEMO Cc1n[nH]c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285623739 415614420 /nfs/dbraw/zinc/61/44/20/415614420.db2.gz DPIOVDNPRGHCKY-VHSXEESVSA-N 1 1 309.326 0.171 10 5 DCBEMO Cc1[nH]nc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285623739 415614426 /nfs/dbraw/zinc/61/44/26/415614426.db2.gz DPIOVDNPRGHCKY-VHSXEESVSA-N 1 1 309.326 0.171 10 5 DCBEMO Cc1[nH]nc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285623739 415614432 /nfs/dbraw/zinc/61/44/32/415614432.db2.gz DPIOVDNPRGHCKY-VHSXEESVSA-N 1 1 309.326 0.171 10 5 DCBEMO CC[N@H+]1CCC[C@H]1CN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246729079 529097039 /nfs/dbraw/zinc/09/70/39/529097039.db2.gz MQPQJAFHHUVSOC-GXTWGEPZSA-N 1 1 311.386 0.568 10 5 DCBEMO CCN1CCC[C@H]1C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246729079 529097047 /nfs/dbraw/zinc/09/70/47/529097047.db2.gz MQPQJAFHHUVSOC-GXTWGEPZSA-N 1 1 311.386 0.568 10 5 DCBEMO CCN1CCC[C@H]1C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246729079 529097052 /nfs/dbraw/zinc/09/70/52/529097052.db2.gz MQPQJAFHHUVSOC-GXTWGEPZSA-N 1 1 311.386 0.568 10 5 DCBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000177205890 198685842 /nfs/dbraw/zinc/68/58/42/198685842.db2.gz XWXIFPYREOPIFE-GFCCVEGCSA-N 1 1 318.337 0.987 10 5 DCBEMO Cc1nn(C)c(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000195048457 395814264 /nfs/dbraw/zinc/81/42/64/395814264.db2.gz SQPSQCSCNDTSKS-LLVKDONJSA-N 1 1 307.354 0.947 10 5 DCBEMO Cc1nn(C)c(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000195048457 395814269 /nfs/dbraw/zinc/81/42/69/395814269.db2.gz SQPSQCSCNDTSKS-LLVKDONJSA-N 1 1 307.354 0.947 10 5 DCBEMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1N1CCOCC1 ZINC000246388174 395949053 /nfs/dbraw/zinc/94/90/53/395949053.db2.gz IQBHSHZLJINZGM-TZMCWYRMSA-N 1 1 309.370 0.444 10 5 DCBEMO C[C@@H](O)C[N@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000131812039 287002022 /nfs/dbraw/zinc/00/20/22/287002022.db2.gz XSZBMBYTCPHEBN-CHWSQXEVSA-N 1 1 324.381 0.143 10 5 DCBEMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000173365659 416057448 /nfs/dbraw/zinc/05/74/48/416057448.db2.gz SZEMZKUGDZMWAY-AAEUAGOBSA-N 1 1 321.341 0.081 10 5 DCBEMO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1C(N)=O ZINC000301198845 416077291 /nfs/dbraw/zinc/07/72/91/416077291.db2.gz PEFIYMDYYKZSHU-LLVKDONJSA-N 1 1 321.381 0.742 10 5 DCBEMO CCOc1ccc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358051279 416179161 /nfs/dbraw/zinc/17/91/61/416179161.db2.gz BPTYIIQOPCCZNK-OAHLLOKOSA-N 1 1 323.349 0.790 10 5 DCBEMO CCOC(=O)[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC12COC2 ZINC000451144853 417305881 /nfs/dbraw/zinc/30/58/81/417305881.db2.gz YKKJYGGRTPGULO-LLVKDONJSA-N 1 1 324.337 0.303 10 5 DCBEMO C[C@@H]1C[C@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000161730045 533891372 /nfs/dbraw/zinc/89/13/72/533891372.db2.gz SLDSQCYQNOQQNG-VXGBXAGGSA-N 1 1 324.385 0.915 10 5 DCBEMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000408027322 160015705 /nfs/dbraw/zinc/01/57/05/160015705.db2.gz MWDPWCRVPDYJCH-LBPRGKRZSA-N 1 1 320.349 0.453 10 5 DCBEMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000408027322 160015708 /nfs/dbraw/zinc/01/57/08/160015708.db2.gz MWDPWCRVPDYJCH-LBPRGKRZSA-N 1 1 320.349 0.453 10 5 DCBEMO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCOCC2)n1 ZINC000138485948 287029326 /nfs/dbraw/zinc/02/93/26/287029326.db2.gz YBYOWFRTMLQFBP-UHFFFAOYSA-N 1 1 311.342 0.263 10 5 DCBEMO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434446590 416478694 /nfs/dbraw/zinc/47/86/94/416478694.db2.gz VDRJQQQQHUGCAB-LLVKDONJSA-N 1 1 308.342 0.319 10 5 DCBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000363796743 262131125 /nfs/dbraw/zinc/13/11/25/262131125.db2.gz CWGIARLXFPUSPA-LSDHHAIUSA-N 1 1 307.350 0.645 10 5 DCBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000363796743 262131127 /nfs/dbraw/zinc/13/11/27/262131127.db2.gz CWGIARLXFPUSPA-LSDHHAIUSA-N 1 1 307.350 0.645 10 5 DCBEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000247053060 519693550 /nfs/dbraw/zinc/69/35/50/519693550.db2.gz IJJFSQLVZKRJBR-DGCLKSJQSA-N 1 1 322.365 0.601 10 5 DCBEMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH+](C2CC2)CC1 ZINC000127058928 395914533 /nfs/dbraw/zinc/91/45/33/395914533.db2.gz GDYHKRZYZGFQEC-UHFFFAOYSA-N 1 1 306.322 0.063 10 5 DCBEMO CCc1n[nH]c(C(=O)N2CCN(CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000189617701 396396988 /nfs/dbraw/zinc/39/69/88/396396988.db2.gz GGCKRFUNKDPUHA-SECBINFHSA-N 1 1 311.342 0.019 10 5 DCBEMO C[C@H](O)C[N@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000245604497 287071131 /nfs/dbraw/zinc/07/11/31/287071131.db2.gz XSZBMBYTCPHEBN-STQMWFEESA-N 1 1 324.381 0.143 10 5 DCBEMO C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000187271854 416260587 /nfs/dbraw/zinc/26/05/87/416260587.db2.gz AOSJUIBEQNAXHW-LBPRGKRZSA-N 1 1 323.349 0.499 10 5 DCBEMO C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000187271854 416260591 /nfs/dbraw/zinc/26/05/91/416260591.db2.gz AOSJUIBEQNAXHW-LBPRGKRZSA-N 1 1 323.349 0.499 10 5 DCBEMO CC(=O)[C@@](C)(O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450573576 417239755 /nfs/dbraw/zinc/23/97/55/417239755.db2.gz XNNHDDDWYFNFGJ-FZMZJTMJSA-N 1 1 308.338 0.816 10 5 DCBEMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195368754 395825387 /nfs/dbraw/zinc/82/53/87/395825387.db2.gz HABSWTXSOOBPAR-GFCCVEGCSA-N 1 1 320.349 0.453 10 5 DCBEMO CS(=O)(=O)N[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000116889613 395848618 /nfs/dbraw/zinc/84/86/18/395848618.db2.gz BTZMBMNDRCTQAK-LBPRGKRZSA-N 1 1 313.379 0.761 10 5 DCBEMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000153124349 396021594 /nfs/dbraw/zinc/02/15/94/396021594.db2.gz MQBKACWLTFXNFW-UONOGXRCSA-N 1 1 320.349 0.474 10 5 DCBEMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000611242256 396843605 /nfs/dbraw/zinc/84/36/05/396843605.db2.gz PILSQBWRLWLLPU-ZDUSSCGKSA-N 1 1 319.365 0.908 10 5 DCBEMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]3CCOC[C@H]3C2)c1 ZINC000612451083 397060193 /nfs/dbraw/zinc/06/01/93/397060193.db2.gz CDNZWVQGRRRGNK-GFCCVEGCSA-N 1 1 321.333 0.902 10 5 DCBEMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+]3CCOC[C@H]3C2)c1 ZINC000612451083 397060196 /nfs/dbraw/zinc/06/01/96/397060196.db2.gz CDNZWVQGRRRGNK-GFCCVEGCSA-N 1 1 321.333 0.902 10 5 DCBEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000170808841 416034319 /nfs/dbraw/zinc/03/43/19/416034319.db2.gz BSBQRQRBAYMBOU-LLVKDONJSA-N 1 1 311.342 0.018 10 5 DCBEMO COCC[N@@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000174734853 274030618 /nfs/dbraw/zinc/03/06/18/274030618.db2.gz GCMJBIVEUYSWKF-NSHDSACASA-N 1 1 322.365 0.851 10 5 DCBEMO COCC[N@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000174734853 274030619 /nfs/dbraw/zinc/03/06/19/274030619.db2.gz GCMJBIVEUYSWKF-NSHDSACASA-N 1 1 322.365 0.851 10 5 DCBEMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159732512 524015469 /nfs/dbraw/zinc/01/54/69/524015469.db2.gz KRTLNLOSWXBJQR-GFCCVEGCSA-N 1 1 308.338 0.309 10 5 DCBEMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159732512 524015473 /nfs/dbraw/zinc/01/54/73/524015473.db2.gz KRTLNLOSWXBJQR-GFCCVEGCSA-N 1 1 308.338 0.309 10 5 DCBEMO Cc1nn(C)c(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000195048469 395814493 /nfs/dbraw/zinc/81/44/93/395814493.db2.gz SQPSQCSCNDTSKS-NSHDSACASA-N 1 1 307.354 0.947 10 5 DCBEMO Cc1nn(C)c(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000195048469 395814497 /nfs/dbraw/zinc/81/44/97/395814497.db2.gz SQPSQCSCNDTSKS-NSHDSACASA-N 1 1 307.354 0.947 10 5 DCBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000248417896 395987635 /nfs/dbraw/zinc/98/76/35/395987635.db2.gz JXLMUNXLQBZKKQ-ZJUUUORDSA-N 1 1 305.338 0.881 10 5 DCBEMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(N)=O)[NH+]1CCN(C)CC1 ZINC000301231718 416077992 /nfs/dbraw/zinc/07/79/92/416077992.db2.gz JRDAIIGLJRJNRI-NSHDSACASA-N 1 1 321.381 0.742 10 5 DCBEMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3cccnn3)CC2)c1 ZINC000174840362 416088421 /nfs/dbraw/zinc/08/84/21/416088421.db2.gz KGMXVTLILPKEGL-UHFFFAOYSA-N 1 1 303.326 0.404 10 5 DCBEMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000179211782 416185419 /nfs/dbraw/zinc/18/54/19/416185419.db2.gz WCAPGDSCSRSBCP-LBPRGKRZSA-N 1 1 318.337 0.685 10 5 DCBEMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])o2)cn1 ZINC000181345923 416206607 /nfs/dbraw/zinc/20/66/07/416206607.db2.gz WIZBAHYLUSCGHQ-SNVBAGLBSA-N 1 1 305.294 0.708 10 5 DCBEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000284845545 283087640 /nfs/dbraw/zinc/08/76/40/283087640.db2.gz CJKGCSVHRCXZRY-OLZOCXBDSA-N 1 1 320.349 0.722 10 5 DCBEMO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000187709598 237355523 /nfs/dbraw/zinc/35/55/23/237355523.db2.gz HTUUIRCMCDTBIO-CYBMUJFWSA-N 1 1 309.366 0.972 10 5 DCBEMO CS(=O)(=O)N[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000116889610 395849058 /nfs/dbraw/zinc/84/90/58/395849058.db2.gz BTZMBMNDRCTQAK-GFCCVEGCSA-N 1 1 313.379 0.761 10 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416248690 /nfs/dbraw/zinc/24/86/90/416248690.db2.gz RCCGZYKHMYWDEX-CYBMUJFWSA-N 1 1 308.338 0.894 10 5 DCBEMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000368813738 416694848 /nfs/dbraw/zinc/69/48/48/416694848.db2.gz KARTVOOJXURVIH-CQSZACIVSA-N 1 1 307.350 0.990 10 5 DCBEMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000368813738 416694851 /nfs/dbraw/zinc/69/48/51/416694851.db2.gz KARTVOOJXURVIH-CQSZACIVSA-N 1 1 307.350 0.990 10 5 DCBEMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368823867 416695331 /nfs/dbraw/zinc/69/53/31/416695331.db2.gz JTSAKAOYPDEGCO-CYBMUJFWSA-N 1 1 307.350 0.990 10 5 DCBEMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCN2CCOC[C@H]2C1 ZINC000368823867 416695335 /nfs/dbraw/zinc/69/53/35/416695335.db2.gz JTSAKAOYPDEGCO-CYBMUJFWSA-N 1 1 307.350 0.990 10 5 DCBEMO C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H](C)[N@@H+]1CCO ZINC000450796929 417269566 /nfs/dbraw/zinc/26/95/66/417269566.db2.gz RNVLJJIFHWEKNQ-PHIMTYICSA-N 1 1 320.353 0.529 10 5 DCBEMO C[C@@H]1CC[C@](CO)([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000187896339 261125000 /nfs/dbraw/zinc/12/50/00/261125000.db2.gz QNMDNRMXALZWSO-XBFCOCLRSA-N 1 1 312.370 0.635 10 5 DCBEMO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCOC[C@@H]3C2)c2nonc21 ZINC000364888020 285126306 /nfs/dbraw/zinc/12/63/06/285126306.db2.gz XVOCXIKZKDXNRF-VIFPVBQESA-N 1 1 305.294 0.652 10 5 DCBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCOC[C@@H]3C2)c2nonc21 ZINC000364888020 285126307 /nfs/dbraw/zinc/12/63/07/285126307.db2.gz XVOCXIKZKDXNRF-VIFPVBQESA-N 1 1 305.294 0.652 10 5 DCBEMO Cc1nn(C)c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000113225528 395828485 /nfs/dbraw/zinc/82/84/85/395828485.db2.gz GDUFZCCEJGVKAA-GXSJLCMTSA-N 1 1 307.354 0.945 10 5 DCBEMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155374663 396050514 /nfs/dbraw/zinc/05/05/14/396050514.db2.gz FYKDYSFUBOORDP-JQWIXIFHSA-N 1 1 309.370 0.945 10 5 DCBEMO Cc1n[nH]c(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1[N+](=O)[O-] ZINC000266161060 287129765 /nfs/dbraw/zinc/12/97/65/287129765.db2.gz ITKBYEMCKITHPR-KOLCDFICSA-N 1 1 323.353 0.419 10 5 DCBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000175014411 416094765 /nfs/dbraw/zinc/09/47/65/416094765.db2.gz ZIRQOUSSWIMXKR-NWDGAFQWSA-N 1 1 307.354 0.877 10 5 DCBEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000183607400 416247225 /nfs/dbraw/zinc/24/72/25/416247225.db2.gz IMZHSVSCMDNXPV-GHMZBOCLSA-N 1 1 323.353 0.909 10 5 DCBEMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000183607400 416247229 /nfs/dbraw/zinc/24/72/29/416247229.db2.gz IMZHSVSCMDNXPV-GHMZBOCLSA-N 1 1 323.353 0.909 10 5 DCBEMO C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187263330 261122762 /nfs/dbraw/zinc/12/27/62/261122762.db2.gz ZSRZFLKRWDWRRH-GFCCVEGCSA-N 1 1 322.365 0.532 10 5 DCBEMO C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187263330 261122765 /nfs/dbraw/zinc/12/27/65/261122765.db2.gz ZSRZFLKRWDWRRH-GFCCVEGCSA-N 1 1 322.365 0.532 10 5 DCBEMO COCC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1C ZINC000176755316 396160033 /nfs/dbraw/zinc/16/00/33/396160033.db2.gz KVDNMSVNISMIFY-LLVKDONJSA-N 1 1 322.365 0.970 10 5 DCBEMO COCC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1C ZINC000176755316 396160035 /nfs/dbraw/zinc/16/00/35/396160035.db2.gz KVDNMSVNISMIFY-LLVKDONJSA-N 1 1 322.365 0.970 10 5 DCBEMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000075746966 158063542 /nfs/dbraw/zinc/06/35/42/158063542.db2.gz QJNFFGPVQBERER-KVCLCRKTSA-N 1 1 310.354 0.245 10 5 DCBEMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000180549956 416198120 /nfs/dbraw/zinc/19/81/20/416198120.db2.gz UBPFYFTZTLZWKF-JTQLQIEISA-N 1 1 305.338 0.882 10 5 DCBEMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000180549956 416198122 /nfs/dbraw/zinc/19/81/22/416198122.db2.gz UBPFYFTZTLZWKF-JTQLQIEISA-N 1 1 305.338 0.882 10 5 DCBEMO CC[N@H+]1CCC[C@@H]1CN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246729086 529068445 /nfs/dbraw/zinc/06/84/45/529068445.db2.gz MQPQJAFHHUVSOC-TZMCWYRMSA-N 1 1 311.386 0.568 10 5 DCBEMO CCN1CCC[C@@H]1C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246729086 529068448 /nfs/dbraw/zinc/06/84/48/529068448.db2.gz MQPQJAFHHUVSOC-TZMCWYRMSA-N 1 1 311.386 0.568 10 5 DCBEMO CCN1CCC[C@@H]1C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246729086 529068454 /nfs/dbraw/zinc/06/84/54/529068454.db2.gz MQPQJAFHHUVSOC-TZMCWYRMSA-N 1 1 311.386 0.568 10 5 DCBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000245583351 395932426 /nfs/dbraw/zinc/93/24/26/395932426.db2.gz KNGZGFVLBGCNGX-OLZOCXBDSA-N 1 1 306.366 0.925 10 5 DCBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151362870 395984612 /nfs/dbraw/zinc/98/46/12/395984612.db2.gz QDYWLTJQVJYYFO-YPMHNXCESA-N 1 1 324.385 0.819 10 5 DCBEMO CC[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1CCOC ZINC000176232696 416121503 /nfs/dbraw/zinc/12/15/03/416121503.db2.gz JBTQAGGFWSHDJG-ZDUSSCGKSA-N 1 1 311.386 0.834 10 5 DCBEMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000180549934 416197260 /nfs/dbraw/zinc/19/72/60/416197260.db2.gz UBPFYFTZTLZWKF-SNVBAGLBSA-N 1 1 305.338 0.882 10 5 DCBEMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000180549934 416197261 /nfs/dbraw/zinc/19/72/61/416197261.db2.gz UBPFYFTZTLZWKF-SNVBAGLBSA-N 1 1 305.338 0.882 10 5 DCBEMO CNC(=O)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000183637393 261116702 /nfs/dbraw/zinc/11/67/02/261116702.db2.gz YBLBUISHPLNTAU-LBPRGKRZSA-N 1 1 308.338 0.554 10 5 DCBEMO C[N@H+]1CCCC[C@@H]1CN1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000152587799 664765343 /nfs/dbraw/zinc/76/53/43/664765343.db2.gz JMRZONKMQKYUKT-CQSZACIVSA-N 1 1 322.413 0.851 10 5 DCBEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000284885792 283087509 /nfs/dbraw/zinc/08/75/09/283087509.db2.gz GFARHSSAVGQZCQ-OLZOCXBDSA-N 1 1 320.349 0.722 10 5 DCBEMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000177687709 396181078 /nfs/dbraw/zinc/18/10/78/396181078.db2.gz PEJXGYFUBHOFTB-CYBMUJFWSA-N 1 1 318.333 0.840 10 5 DCBEMO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)CCCOC)n1 ZINC000191826238 416290091 /nfs/dbraw/zinc/29/00/91/416290091.db2.gz VVUPCVZEXWGBCD-UHFFFAOYSA-N 1 1 313.358 0.509 10 5 DCBEMO COC(=O)c1cc(C)nc(NCCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000553160194 416702953 /nfs/dbraw/zinc/70/29/53/416702953.db2.gz ATKKFSPCQAMNKH-UHFFFAOYSA-N 1 1 319.321 1.473 10 5 DCBEMO CC[C@H](CO)[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180872859 199221775 /nfs/dbraw/zinc/22/17/75/199221775.db2.gz NTZAWHAZJFUQMU-LLVKDONJSA-N 1 1 322.365 0.706 10 5 DCBEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408183473 160054028 /nfs/dbraw/zinc/05/40/28/160054028.db2.gz RKCFETYPNRXLEL-GHMZBOCLSA-N 1 1 308.342 0.272 10 5 DCBEMO C[C@H]1CCCC[N@H+]1CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000128401026 526250834 /nfs/dbraw/zinc/25/08/34/526250834.db2.gz NEIHOIBPQRWRSK-LBPRGKRZSA-N 1 1 324.385 0.965 10 5 DCBEMO O=C(Cn1ccc([N+](=O)[O-])n1)OCC[NH+]1CCSCC1 ZINC000127291493 668915223 /nfs/dbraw/zinc/91/52/23/668915223.db2.gz QEFKAXDPDVMRTA-UHFFFAOYSA-N 1 1 300.340 0.383 10 5 DCBEMO