smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]C[C@@H]1CCC[NH2+]C1 ZINC000095091867 193422515 /nfs/dbraw/zinc/42/25/15/193422515.db2.gz BABGHJHKOAMEGI-SECBINFHSA-N 0 1 300.340 0.268 10 5 DCBEMN CN1CCO[C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000284428067 131080057 /nfs/dbraw/zinc/08/00/57/131080057.db2.gz FKHLKRYKOCWVDB-ZIAGYGMSSA-N 0 1 321.333 0.846 10 5 DCBEMN CN(CC(=O)N1CCNCC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000038031153 395731103 /nfs/dbraw/zinc/73/11/03/395731103.db2.gz SMCOCXUOUBCFPF-UHFFFAOYSA-N 0 1 312.351 0.160 10 5 DCBEMN CN(CC(=O)N1CCNCC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000262006944 396089174 /nfs/dbraw/zinc/08/91/74/396089174.db2.gz VVQVVFPCTHYHEI-UHFFFAOYSA-N 0 1 306.322 0.099 10 5 DCBEMN CCCc1[nH]nc(C(=O)N2CC(C(=O)NCC)C2)c1[N+](=O)[O-] ZINC000176424831 416125460 /nfs/dbraw/zinc/12/54/60/416125460.db2.gz CUJSTVIHOGOARZ-UHFFFAOYSA-N 0 1 309.326 0.479 10 5 DCBEMN C[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000189006522 524782563 /nfs/dbraw/zinc/78/25/63/524782563.db2.gz JEIDEAALAOXTMQ-SNVBAGLBSA-N 0 1 306.322 0.145 10 5 DCBEMN O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NCc2ccc(CO)o2)cc1 ZINC000156151194 527376519 /nfs/dbraw/zinc/37/65/19/527376519.db2.gz RKIIJQBCNWMUCJ-HUUCEWRRSA-N 0 1 322.317 0.864 10 5 DCBEMN Cc1[nH]nc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000266056397 205061946 /nfs/dbraw/zinc/06/19/46/205061946.db2.gz ZGSAKCXRYIKWFP-SECBINFHSA-N 0 1 308.216 0.766 10 5 DCBEMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@]2(CNC(=O)C2)C1 ZINC000279355146 396168225 /nfs/dbraw/zinc/16/82/25/396168225.db2.gz CHOAUYVPXZIMEY-AWEZNQCLSA-N 0 1 305.290 0.653 10 5 DCBEMN C[C@@H](CN1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000264438697 396280422 /nfs/dbraw/zinc/28/04/22/396280422.db2.gz WHYPRJZKLWVGMV-JTQLQIEISA-N 0 1 322.369 0.137 10 5 DCBEMN CC(=O)[C@](C)(O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450573579 417240018 /nfs/dbraw/zinc/24/00/18/417240018.db2.gz XNNHDDDWYFNFGJ-SMDDNHRTSA-N 0 1 308.338 0.816 10 5 DCBEMN CCOC(=O)[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC12COC2 ZINC000451144856 417305375 /nfs/dbraw/zinc/30/53/75/417305375.db2.gz YKKJYGGRTPGULO-NSHDSACASA-N 0 1 324.337 0.303 10 5 DCBEMN CCc1n[nH]c(C(=O)N2CCO[C@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000284847302 536000264 /nfs/dbraw/zinc/00/02/64/536000264.db2.gz CPGBAORHCXUJQM-MNOVXSKESA-N 0 1 323.353 0.425 10 5 DCBEMN CCc1[nH]nc(C(=O)N2CCO[C@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000284847302 536000266 /nfs/dbraw/zinc/00/02/66/536000266.db2.gz CPGBAORHCXUJQM-MNOVXSKESA-N 0 1 323.353 0.425 10 5 DCBEMN COc1ccccc1[C@H](O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000135875515 658779781 /nfs/dbraw/zinc/77/97/81/658779781.db2.gz MBQCQXGYSAHCAM-SNVBAGLBSA-N 0 1 306.278 0.790 10 5 DCBEMN COc1cc(N(C)CC(=O)N2CCNCC2)ccc1[N+](=O)[O-] ZINC000261970018 661936918 /nfs/dbraw/zinc/93/69/18/661936918.db2.gz PYEFNBXYTFPKET-UHFFFAOYSA-N 0 1 308.338 0.471 10 5 DCBEMN CC[S@](=O)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000733880862 666823746 /nfs/dbraw/zinc/82/37/46/666823746.db2.gz WIXAAGSLUXPPAE-NRFANRHFSA-N 0 1 310.335 0.970 10 5 DCBEMN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CC2 ZINC000153963161 396028051 /nfs/dbraw/zinc/02/80/51/396028051.db2.gz MUTKWVDZWRKVLZ-MRVPVSSYSA-N 0 1 319.325 0.778 10 5 DCBEMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC[N@@H+]1CCO ZINC000187274565 416261253 /nfs/dbraw/zinc/26/12/53/416261253.db2.gz LZBRZSHWVSPGJS-SNVBAGLBSA-N 0 1 309.322 0.439 10 5 DCBEMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC[N@H+]1CCO ZINC000187274565 416261254 /nfs/dbraw/zinc/26/12/54/416261254.db2.gz LZBRZSHWVSPGJS-SNVBAGLBSA-N 0 1 309.322 0.439 10 5 DCBEMN O=C(NCCNc1cc[nH+]cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445179752 271746632 /nfs/dbraw/zinc/74/66/32/271746632.db2.gz LAYWJDGNTPPDAM-UHFFFAOYSA-N 0 1 303.278 0.354 10 5 DCBEMN CCc1n[nH]c(C(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000284847309 536001274 /nfs/dbraw/zinc/00/12/74/536001274.db2.gz CPGBAORHCXUJQM-WDEREUQCSA-N 0 1 323.353 0.425 10 5 DCBEMN CCc1[nH]nc(C(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000284847309 536001276 /nfs/dbraw/zinc/00/12/76/536001276.db2.gz CPGBAORHCXUJQM-WDEREUQCSA-N 0 1 323.353 0.425 10 5 DCBEMN CCOc1cccc(N(C)CC(=O)N2CCNCC2)c1[N+](=O)[O-] ZINC000261897298 661805814 /nfs/dbraw/zinc/80/58/14/661805814.db2.gz OLLVNOJFZAKAFE-UHFFFAOYSA-N 0 1 322.365 0.862 10 5 DCBEMN CC(C)[N@@H+](C)CCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000054109040 1171826644 /nfs/dbraw/zinc/82/66/44/1171826644.db2.gz RABMMWBCMLYWHX-UHFFFAOYSA-N 0 1 317.367 0.919 10 5 DCBEMN CN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118105420 395859500 /nfs/dbraw/zinc/85/95/00/395859500.db2.gz WYRKZCAOCYDASA-LBPRGKRZSA-N 0 1 306.322 0.744 10 5 DCBEMN Cn1cc([C@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000246830012 395958710 /nfs/dbraw/zinc/95/87/10/395958710.db2.gz YDKJMVDGRSMPPX-ZIAGYGMSSA-N 0 1 320.353 0.723 10 5 DCBEMN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151728045 395991134 /nfs/dbraw/zinc/99/11/34/395991134.db2.gz GXAREAWKRHXKMW-GFCCVEGCSA-N 0 1 324.385 0.917 10 5 DCBEMN CN(CC(=O)N1CCNCC1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000261801398 396067545 /nfs/dbraw/zinc/06/75/45/396067545.db2.gz FSYFUTMRESKWAE-UHFFFAOYSA-N 0 1 324.312 0.238 10 5 DCBEMN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCc2nc[nH]n2)c1 ZINC000443772908 416780063 /nfs/dbraw/zinc/78/00/63/416780063.db2.gz OREUIWUZTIVZRO-UHFFFAOYSA-N 0 1 311.323 0.375 10 5 DCBEMN CN1CCO[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])C[C@@H]21 ZINC000153152990 277125283 /nfs/dbraw/zinc/12/52/83/277125283.db2.gz KBVHEQWGNVPSAW-DTWKUNHWSA-N 0 1 309.351 0.823 10 5 DCBEMN C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])[C@@H]2C1 ZINC000285114305 536468817 /nfs/dbraw/zinc/46/88/17/536468817.db2.gz VAEQHAWWJDETCO-YPMHNXCESA-N 0 1 321.333 0.846 10 5 DCBEMN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCN2CCC1CC2 ZINC000189796133 396399552 /nfs/dbraw/zinc/39/95/52/396399552.db2.gz IAWSLOJJCYRYKE-UHFFFAOYSA-N 0 1 318.333 0.840 10 5 DCBEMN CCCc1[nH]nc(C(=O)N2CC(n3ccnn3)C2)c1[N+](=O)[O-] ZINC000378550021 397255381 /nfs/dbraw/zinc/25/53/81/397255381.db2.gz NNNXKBGVFKKJRI-UHFFFAOYSA-N 0 1 305.298 0.559 10 5 DCBEMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000121761371 158213751 /nfs/dbraw/zinc/21/37/51/158213751.db2.gz IUMLDQGBHYAARM-NWDGAFQWSA-N 0 1 321.341 0.498 10 5 DCBEMN CCc1nn(C)c(N2CC[C@@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408030645 160016409 /nfs/dbraw/zinc/01/64/09/160016409.db2.gz MLTQVAUSNWARAW-NEPJUHHUSA-N 0 1 309.370 0.800 10 5 DCBEMN O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]C[C@H]1CCC[NH2+]C1 ZINC000095091868 415548974 /nfs/dbraw/zinc/54/89/74/415548974.db2.gz BABGHJHKOAMEGI-VIFPVBQESA-N 0 1 300.340 0.268 10 5 DCBEMN C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])[C@@H]2C1 ZINC000285828624 290168409 /nfs/dbraw/zinc/16/84/09/290168409.db2.gz PHFVZQQGDRBYMD-OLZOCXBDSA-N 0 1 321.333 0.846 10 5 DCBEMN C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285716790 290235025 /nfs/dbraw/zinc/23/50/25/290235025.db2.gz JOBWVLSVIFBZKT-TZMCWYRMSA-N 0 1 321.333 0.846 10 5 DCBEMN C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])[C@H]2C1 ZINC000285114296 536469231 /nfs/dbraw/zinc/46/92/31/536469231.db2.gz VAEQHAWWJDETCO-AAEUAGOBSA-N 0 1 321.333 0.846 10 5 DCBEMN Cc1n[nH]c(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000285623751 131187494 /nfs/dbraw/zinc/18/74/94/131187494.db2.gz DPIOVDNPRGHCKY-ZJUUUORDSA-N 0 1 309.326 0.171 10 5 DCBEMN Cc1n[nH]c(C(=O)N2CCO[C@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000285623751 131187499 /nfs/dbraw/zinc/18/74/99/131187499.db2.gz DPIOVDNPRGHCKY-ZJUUUORDSA-N 0 1 309.326 0.171 10 5 DCBEMN Cc1[nH]nc(C(=O)N2CCO[C@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000285623751 131187500 /nfs/dbraw/zinc/18/75/00/131187500.db2.gz DPIOVDNPRGHCKY-ZJUUUORDSA-N 0 1 309.326 0.171 10 5 DCBEMN Cc1cc(C(=O)N(C)CC(=O)N2CCNCC2)ccc1[N+](=O)[O-] ZINC000261825221 158743605 /nfs/dbraw/zinc/74/36/05/158743605.db2.gz XAQYAULLDXMXIB-UHFFFAOYSA-N 0 1 320.349 0.407 10 5 DCBEMN O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]C[C@@H]1CCCC[NH2+]1 ZINC000095091863 415550379 /nfs/dbraw/zinc/55/03/79/415550379.db2.gz ILVPAOCWAQSYIX-VIFPVBQESA-N 0 1 300.340 0.410 10 5 DCBEMN COc1cc(C(=O)NC2(c3nn[nH]n3)CC2)cc([N+](=O)[O-])c1C ZINC000362173507 262006794 /nfs/dbraw/zinc/00/67/94/262006794.db2.gz NCZAMVHQFMQHSO-UHFFFAOYSA-N 0 1 318.293 0.844 10 5 DCBEMN CC[C@@H](O)CN1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000172819629 273724458 /nfs/dbraw/zinc/72/44/58/273724458.db2.gz YBVTZALSJNWTKO-GFCCVEGCSA-N 0 1 322.365 0.587 10 5 DCBEMN COc1ccc(CN(C)CC(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC000261737865 286302630 /nfs/dbraw/zinc/30/26/30/286302630.db2.gz NTFFDQPUXYDBAG-UHFFFAOYSA-N 0 1 322.365 0.467 10 5 DCBEMN Cc1nc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)no1 ZINC000173397403 416057759 /nfs/dbraw/zinc/05/77/59/416057759.db2.gz GYMVJPXJVCRJCS-UHFFFAOYSA-N 0 1 304.309 0.826 10 5 DCBEMN COC(=O)c1cc(N2C[C@@H]3[C@H](C2)OCCN3C)ccc1[N+](=O)[O-] ZINC000301679677 416088781 /nfs/dbraw/zinc/08/87/81/416088781.db2.gz ULQMLGOTJFNTBG-KGLIPLIRSA-N 0 1 321.333 0.901 10 5 DCBEMN Cc1nc([C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)CCO2)n[nH]1 ZINC000174878645 416090198 /nfs/dbraw/zinc/09/01/98/416090198.db2.gz SPZFULZRQGWOCM-NSHDSACASA-N 0 1 307.314 0.291 10 5 DCBEMN CCOC(=O)[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC12COC2 ZINC000451132265 417303174 /nfs/dbraw/zinc/30/31/74/417303174.db2.gz IOBQGBAWXKRZAY-LBPRGKRZSA-N 0 1 324.337 0.303 10 5 DCBEMN C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)[C@@H]2C1 ZINC000285275525 536479584 /nfs/dbraw/zinc/47/95/84/536479584.db2.gz AWZLOEYESJWELE-TZMCWYRMSA-N 0 1 321.333 0.846 10 5 DCBEMN CN(C)CC(=O)N1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000051763398 658496144 /nfs/dbraw/zinc/49/61/44/658496144.db2.gz MKLSHAVGNQXERH-UHFFFAOYSA-N 0 1 324.356 0.940 10 5 DCBEMN CN(CC(=O)N1CCNCC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000261633808 396050818 /nfs/dbraw/zinc/05/08/18/396050818.db2.gz CFBZKCKEMXHTIQ-UHFFFAOYSA-N 0 1 320.349 0.028 10 5 DCBEMN Cc1c(CN(C)CC(=O)N2CCNCC2)cccc1[N+](=O)[O-] ZINC000261931588 396080704 /nfs/dbraw/zinc/08/07/04/396080704.db2.gz JULBUTUOZJYABX-UHFFFAOYSA-N 0 1 306.366 0.767 10 5 DCBEMN CC(C)c1[nH]nc(C(=O)N2CC(=O)N(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000282319013 396280616 /nfs/dbraw/zinc/28/06/16/396280616.db2.gz JNOLCNMMGXWDHX-MRVPVSSYSA-N 0 1 309.326 0.744 10 5 DCBEMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CC[NH2+]C1 ZINC000126851444 158268890 /nfs/dbraw/zinc/26/88/90/158268890.db2.gz GWQNSTAXKITDMQ-MRVPVSSYSA-N 0 1 303.315 0.622 10 5 DCBEMN CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000129246682 522554815 /nfs/dbraw/zinc/55/48/15/522554815.db2.gz VBXREGADOCWMBX-LBPRGKRZSA-N 0 1 323.349 0.829 10 5 DCBEMN O=C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1 ZINC000073460348 191317912 /nfs/dbraw/zinc/31/79/12/191317912.db2.gz VHBGVDBOALZLTO-LBPRGKRZSA-N 0 1 309.322 0.156 10 5 DCBEMN C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000154880199 296185136 /nfs/dbraw/zinc/18/51/36/296185136.db2.gz MPOFGRBFUVXGJC-GHMZBOCLSA-N 0 1 323.349 0.828 10 5 DCBEMN C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000154880199 296185137 /nfs/dbraw/zinc/18/51/37/296185137.db2.gz MPOFGRBFUVXGJC-GHMZBOCLSA-N 0 1 323.349 0.828 10 5 DCBEMN COCCNc1nc[n-]c(=NN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000040623617 183109745 /nfs/dbraw/zinc/10/97/45/183109745.db2.gz LYHQQDNZCPMKKV-UHFFFAOYSA-N 0 1 311.346 0.017 10 5 DCBEMN COC[C@](C)(CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000613534965 397276439 /nfs/dbraw/zinc/27/64/39/397276439.db2.gz YZDCWAPNBRCICC-ZDUSSCGKSA-N 0 1 308.294 0.598 10 5 DCBEMN C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@@H]1C ZINC000245742191 287072650 /nfs/dbraw/zinc/07/26/50/287072650.db2.gz RTLICRJVPULJSD-QWRGUYRKSA-N 0 1 323.349 0.828 10 5 DCBEMN C[C@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@@H]1C ZINC000245742191 287072653 /nfs/dbraw/zinc/07/26/53/287072653.db2.gz RTLICRJVPULJSD-QWRGUYRKSA-N 0 1 323.349 0.828 10 5 DCBEMN Cc1cc(C[C@@H](C)NC(=O)c2ccnc(N)c2[N+](=O)[O-])n[nH]1 ZINC000548713173 416691812 /nfs/dbraw/zinc/69/18/12/416691812.db2.gz DRFCIQGZDOMZKP-SSDOTTSWSA-N 0 1 304.310 0.965 10 5 DCBEMN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000302201713 274004728 /nfs/dbraw/zinc/00/47/28/274004728.db2.gz VKUVROWMCTXPFY-KBPBESRZSA-N 0 1 321.333 0.901 10 5 DCBEMN CCc1n[nH]c(C(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000284847305 536001748 /nfs/dbraw/zinc/00/17/48/536001748.db2.gz CPGBAORHCXUJQM-QWRGUYRKSA-N 0 1 323.353 0.425 10 5 DCBEMN CCc1[nH]nc(C(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000284847305 536001750 /nfs/dbraw/zinc/00/17/50/536001750.db2.gz CPGBAORHCXUJQM-QWRGUYRKSA-N 0 1 323.353 0.425 10 5 DCBEMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@]12C[C@H]1COC2 ZINC000718026886 685304492 /nfs/dbraw/zinc/30/44/92/685304492.db2.gz DLAHOJMJUMADFL-CPCISQLKSA-N 0 1 302.283 0.801 10 5 DCBEMN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000187706801 237357675 /nfs/dbraw/zinc/35/76/75/237357675.db2.gz OFNPGLVAPGFKBK-CYBMUJFWSA-N 0 1 309.366 0.972 10 5 DCBEMN Cc1nc(CN2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)n[nH]1 ZINC000611431105 396866072 /nfs/dbraw/zinc/86/60/72/396866072.db2.gz QEXXBAIQNXUCSC-UHFFFAOYSA-N 0 1 320.357 0.036 10 5 DCBEMN CCN1CCN(CC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000076425126 286919687 /nfs/dbraw/zinc/91/96/87/286919687.db2.gz NDSWFJCNGFJYBK-UHFFFAOYSA-N 0 1 306.366 0.849 10 5 DCBEMN O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NCc2ccc(CO)o2)cc1 ZINC000156151077 527379116 /nfs/dbraw/zinc/37/91/16/527379116.db2.gz RKIIJQBCNWMUCJ-CABCVRRESA-N 0 1 322.317 0.864 10 5 DCBEMN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000161440396 237094210 /nfs/dbraw/zinc/09/42/10/237094210.db2.gz MIRASAMLIXXJQB-SNVBAGLBSA-N 0 1 323.396 0.247 10 5 DCBEMN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@@H+]1CCO ZINC000187254377 200083697 /nfs/dbraw/zinc/08/36/97/200083697.db2.gz JUZMXGATMALDFN-JTQLQIEISA-N 0 1 309.322 0.439 10 5 DCBEMN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@H+]1CCO ZINC000187254377 200083699 /nfs/dbraw/zinc/08/36/99/200083699.db2.gz JUZMXGATMALDFN-JTQLQIEISA-N 0 1 309.322 0.439 10 5 DCBEMN C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000040715007 395734817 /nfs/dbraw/zinc/73/48/17/395734817.db2.gz VOBQMPUSBPHMHB-SECBINFHSA-N 0 1 315.351 0.673 10 5 DCBEMN C[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000040715007 395734818 /nfs/dbraw/zinc/73/48/18/395734818.db2.gz VOBQMPUSBPHMHB-SECBINFHSA-N 0 1 315.351 0.673 10 5 DCBEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCO1 ZINC000262182850 282360391 /nfs/dbraw/zinc/36/03/91/282360391.db2.gz XAABUXMQONOKRF-LLVKDONJSA-N 0 1 324.337 0.399 10 5 DCBEMN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[N@@H+]1CCO ZINC000187294113 200090031 /nfs/dbraw/zinc/09/00/31/200090031.db2.gz UTOCEDJVTQZFCN-JTQLQIEISA-N 0 1 309.322 0.439 10 5 DCBEMN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[N@H+]1CCO ZINC000187294113 200090032 /nfs/dbraw/zinc/09/00/32/200090032.db2.gz UTOCEDJVTQZFCN-JTQLQIEISA-N 0 1 309.322 0.439 10 5 DCBEMN O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000132232399 395926456 /nfs/dbraw/zinc/92/64/56/395926456.db2.gz PWERRKOERCWXMN-ZDUSSCGKSA-N 0 1 322.365 0.163 10 5 DCBEMN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](N2CCOCC2)C1 ZINC000132232399 395926458 /nfs/dbraw/zinc/92/64/58/395926458.db2.gz PWERRKOERCWXMN-ZDUSSCGKSA-N 0 1 322.365 0.163 10 5 DCBEMN CN(CC(=O)N1CCNCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000261757392 396062733 /nfs/dbraw/zinc/06/27/33/396062733.db2.gz PMYZVWANFHIBBG-UHFFFAOYSA-N 0 1 324.312 0.238 10 5 DCBEMN CNC(=O)[C@@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000172005508 396128875 /nfs/dbraw/zinc/12/88/75/396128875.db2.gz FCGNCGPOKYKNSC-NSHDSACASA-N 0 1 317.305 0.822 10 5 DCBEMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1CC(CO)C1 ZINC000595400718 396602743 /nfs/dbraw/zinc/60/27/43/396602743.db2.gz HFQOKHYHUFPFSK-UHFFFAOYSA-N 0 1 304.299 0.783 10 5 DCBEMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408183476 160054559 /nfs/dbraw/zinc/05/45/59/160054559.db2.gz RKCFETYPNRXLEL-WDEREUQCSA-N 0 1 308.342 0.272 10 5 DCBEMN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181400171 416206038 /nfs/dbraw/zinc/20/60/38/416206038.db2.gz WKSOAMRGAIVSIJ-SNVBAGLBSA-N 0 1 305.298 0.663 10 5 DCBEMN O=C(Cn1cnc([N+](=O)[O-])n1)NCc1nc2ccc(F)cc2[nH]1 ZINC000361129350 416422421 /nfs/dbraw/zinc/42/24/21/416422421.db2.gz ORJKCCGCUQONJJ-UHFFFAOYSA-N 0 1 319.256 0.518 10 5 DCBEMN CN(CC(=O)N1CCNCC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000261930158 276914511 /nfs/dbraw/zinc/91/45/11/276914511.db2.gz JHTCFKQXWVHFKQ-UHFFFAOYSA-N 0 1 310.329 0.598 10 5 DCBEMN CC(=O)NC1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000191495434 519648733 /nfs/dbraw/zinc/64/87/33/519648733.db2.gz LWASIRSQGRHJPH-UHFFFAOYSA-N 0 1 303.278 0.432 10 5 DCBEMN O=C(Nc1ccc([N+](=O)[O-])cc1O)N[C@H]1C=CS(=O)(=O)C1 ZINC000040166740 183042783 /nfs/dbraw/zinc/04/27/83/183042783.db2.gz URHISUMZAIGBHG-ZETCQYMHSA-N 0 1 313.291 0.733 10 5 DCBEMN CN1CCO[C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000284428063 131080110 /nfs/dbraw/zinc/08/01/10/131080110.db2.gz FKHLKRYKOCWVDB-UONOGXRCSA-N 0 1 321.333 0.846 10 5 DCBEMN C[C@@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000112548752 395818625 /nfs/dbraw/zinc/81/86/25/395818625.db2.gz CVCYHFSAGPAUMO-NEPJUHHUSA-N 0 1 322.365 0.842 10 5 DCBEMN CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000153124190 396021670 /nfs/dbraw/zinc/02/16/70/396021670.db2.gz MQBKACWLTFXNFW-ZIAGYGMSSA-N 0 1 320.349 0.474 10 5 DCBEMN CN(CC(=O)N1CCNCC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262027919 396091314 /nfs/dbraw/zinc/09/13/14/396091314.db2.gz YKIUSPHYRPQWPM-UHFFFAOYSA-N 0 1 306.322 0.099 10 5 DCBEMN Cn1cc([C@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000174780677 396139533 /nfs/dbraw/zinc/13/95/33/396139533.db2.gz YDKJMVDGRSMPPX-UONOGXRCSA-N 0 1 320.353 0.723 10 5 DCBEMN COC(=O)c1cc(N2C[C@@H]3OCCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301679676 416087863 /nfs/dbraw/zinc/08/78/63/416087863.db2.gz ULQMLGOTJFNTBG-KBPBESRZSA-N 0 1 321.333 0.901 10 5 DCBEMN CN1CCO[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@H]21 ZINC000301968198 416096891 /nfs/dbraw/zinc/09/68/91/416096891.db2.gz PGUKZBMAZRRGRL-NXEZZACHSA-N 0 1 304.310 0.157 10 5 DCBEMN O=[N+]([O-])c1ccc(CNC[C@@H](O)Cn2ccnn2)c(Cl)c1 ZINC000459696665 272005445 /nfs/dbraw/zinc/00/54/45/272005445.db2.gz MATZXLPQUDEZRW-LLVKDONJSA-N 0 1 311.729 0.990 10 5 DCBEMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](O)Cn1ccnn1 ZINC000459696555 272005534 /nfs/dbraw/zinc/00/55/34/272005534.db2.gz LNHMOPHIFUIMRF-ZDUSSCGKSA-N 0 1 321.337 0.736 10 5 DCBEMN Cn1cc([C@@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000174780666 198384717 /nfs/dbraw/zinc/38/47/17/198384717.db2.gz YDKJMVDGRSMPPX-KBPBESRZSA-N 0 1 320.353 0.723 10 5 DCBEMN CC(=O)N1CC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000573855562 291659193 /nfs/dbraw/zinc/65/91/93/291659193.db2.gz MJIRWVWXTLDLPV-SNVBAGLBSA-N 0 1 307.306 0.899 10 5 DCBEMN O=C(Nc1ccc([N+](=O)[O-])cc1O)N[C@@H]1CCS(=O)(=O)C1 ZINC000040166736 183042633 /nfs/dbraw/zinc/04/26/33/183042633.db2.gz IQZYNIVQKLLOKW-SSDOTTSWSA-N 0 1 315.307 0.609 10 5 DCBEMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN2CCCC[C@H]2C1 ZINC000195049841 395814103 /nfs/dbraw/zinc/81/41/03/395814103.db2.gz NZPQRMDFGMGWPM-LBPRGKRZSA-N 0 1 307.354 0.796 10 5 DCBEMN CCc1[nH]nc(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408298896 160078884 /nfs/dbraw/zinc/07/88/84/160078884.db2.gz RGBLMQXZIOCGHK-NXEZZACHSA-N 0 1 309.326 0.035 10 5 DCBEMN CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2[C@H](C1)OCCN2C ZINC000301661159 416088018 /nfs/dbraw/zinc/08/80/18/416088018.db2.gz MQBKACWLTFXNFW-KGLIPLIRSA-N 0 1 320.349 0.474 10 5 DCBEMN CN(C)CCN(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443792302 416782957 /nfs/dbraw/zinc/78/29/57/416782957.db2.gz RHZKOJJMWOKUEM-UHFFFAOYSA-N 0 1 301.368 0.918 10 5 DCBEMN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3OCCN(C)[C@@H]3C2)c1 ZINC000302201717 274004641 /nfs/dbraw/zinc/00/46/41/274004641.db2.gz VKUVROWMCTXPFY-ZIAGYGMSSA-N 0 1 321.333 0.901 10 5 DCBEMN CN1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000284885791 536479834 /nfs/dbraw/zinc/47/98/34/536479834.db2.gz GFARHSSAVGQZCQ-CHWSQXEVSA-N 0 1 320.349 0.722 10 5 DCBEMN C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])[C@H]2C1 ZINC000408093011 283155552 /nfs/dbraw/zinc/15/55/52/283155552.db2.gz MTRPRXGHYHAHKQ-UONOGXRCSA-N 0 1 321.333 0.846 10 5 DCBEMN O=C(Nc1ccc([N+](=O)[O-])cc1O)N[C@H]1CCS(=O)(=O)C1 ZINC000040166737 183042696 /nfs/dbraw/zinc/04/26/96/183042696.db2.gz IQZYNIVQKLLOKW-ZETCQYMHSA-N 0 1 315.307 0.609 10 5 DCBEMN C[C@@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000112548718 395818672 /nfs/dbraw/zinc/81/86/72/395818672.db2.gz FZOYWMBWVXPCOY-RISCZKNCSA-N 0 1 322.365 0.842 10 5 DCBEMN C[C@@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000112548715 395818855 /nfs/dbraw/zinc/81/88/55/395818855.db2.gz FZOYWMBWVXPCOY-BXUZGUMPSA-N 0 1 322.365 0.842 10 5 DCBEMN NC(=O)c1ccc(CN2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000125954543 395908621 /nfs/dbraw/zinc/90/86/21/395908621.db2.gz AEVXQTXMEALHSS-UHFFFAOYSA-N 0 1 304.350 0.974 10 5 DCBEMN CC(C)c1[nH]nc(C(=O)N2CC(=O)N(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000282319015 396280756 /nfs/dbraw/zinc/28/07/56/396280756.db2.gz JNOLCNMMGXWDHX-QMMMGPOBSA-N 0 1 309.326 0.744 10 5 DCBEMN Cn1cnc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000123780101 158234201 /nfs/dbraw/zinc/23/42/01/158234201.db2.gz FIMOSOSFBTXKRS-UHFFFAOYSA-N 0 1 303.325 0.263 10 5 DCBEMN CCc1[nH]nc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000284758028 415600476 /nfs/dbraw/zinc/60/04/76/415600476.db2.gz OMYGRIFELWXEBI-WDEREUQCSA-N 0 1 323.353 0.425 10 5 DCBEMN COc1ccc([N+](=O)[O-])cc1C(=O)NC1(c2nn[nH]n2)CC1 ZINC000357097142 416034710 /nfs/dbraw/zinc/03/47/10/416034710.db2.gz PDXYQYBXNJCPNF-UHFFFAOYSA-N 0 1 304.266 0.536 10 5 DCBEMN CCc1[nH]nc(C(=O)N2CCN3CCOC[C@H]3C2)c1[N+](=O)[O-] ZINC000364005838 262140120 /nfs/dbraw/zinc/14/01/20/262140120.db2.gz YHCHRRVBHSQYFG-SECBINFHSA-N 0 1 309.326 0.037 10 5 DCBEMN CN1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000284885794 536469223 /nfs/dbraw/zinc/46/92/23/536469223.db2.gz GFARHSSAVGQZCQ-STQMWFEESA-N 0 1 320.349 0.722 10 5 DCBEMN C[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000700751288 666758641 /nfs/dbraw/zinc/75/86/41/666758641.db2.gz FGGJQKJQEXGJDK-IONNQARKSA-N 0 1 303.315 0.763 10 5 DCBEMN C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1CCO ZINC000187705895 237353387 /nfs/dbraw/zinc/35/33/87/237353387.db2.gz LNERDGPYEUZYIP-NSHDSACASA-N 0 1 322.365 0.192 10 5 DCBEMN CCN(CC)c1nc[n-]c(=NN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000040607981 183108288 /nfs/dbraw/zinc/10/82/88/183108288.db2.gz PXDWJPUEUJXXKF-UHFFFAOYSA-N 0 1 309.374 0.805 10 5 DCBEMN Cc1ccc(N(C)C[C@@H](O)C[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000301827295 396717958 /nfs/dbraw/zinc/71/79/58/396717958.db2.gz PPAKLEZNUGGKGG-CQSZACIVSA-N 0 1 322.409 0.948 10 5 DCBEMN Cc1ccc(N(C)C[C@@H](O)CN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000301827295 396717960 /nfs/dbraw/zinc/71/79/60/396717960.db2.gz PPAKLEZNUGGKGG-CQSZACIVSA-N 0 1 322.409 0.948 10 5 DCBEMN C[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])[C@@H]2C1 ZINC000285828620 290236068 /nfs/dbraw/zinc/23/60/68/290236068.db2.gz PHFVZQQGDRBYMD-CHWSQXEVSA-N 0 1 321.333 0.846 10 5 DCBEMN CCc1nc([C@@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)CCO2)n[nH]1 ZINC000131643251 522140422 /nfs/dbraw/zinc/14/04/22/522140422.db2.gz XLTSRJZXIAFRCY-QMMMGPOBSA-N 0 1 320.313 0.225 10 5 DCBEMN COCCN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000131816167 523854195 /nfs/dbraw/zinc/85/41/95/523854195.db2.gz JFRCQCUPMUDUIB-CYBMUJFWSA-N 0 1 324.381 0.409 10 5 DCBEMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000155725029 524905342 /nfs/dbraw/zinc/90/53/42/524905342.db2.gz VLVJYESECKYJRQ-PHIMTYICSA-N 0 1 308.338 0.308 10 5 DCBEMN CCc1n[nH]c(C(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000284847299 536000364 /nfs/dbraw/zinc/00/03/64/536000364.db2.gz CPGBAORHCXUJQM-GHMZBOCLSA-N 0 1 323.353 0.425 10 5 DCBEMN CCc1[nH]nc(C(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000284847299 536000369 /nfs/dbraw/zinc/00/03/69/536000369.db2.gz CPGBAORHCXUJQM-GHMZBOCLSA-N 0 1 323.353 0.425 10 5 DCBEMN Cn1cncc1CN[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000176998173 658440507 /nfs/dbraw/zinc/44/05/07/658440507.db2.gz TXVIIOQBTDSWQY-KBPBESRZSA-N 0 1 306.322 0.512 10 5 DCBEMN CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000182136076 199390952 /nfs/dbraw/zinc/39/09/52/199390952.db2.gz QISUEHDQJHJZPY-NSHDSACASA-N 0 1 323.349 0.829 10 5 DCBEMN CC(=O)N1CC[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000573855561 291659180 /nfs/dbraw/zinc/65/91/80/291659180.db2.gz MJIRWVWXTLDLPV-JTQLQIEISA-N 0 1 307.306 0.899 10 5 DCBEMN C[C@H](CN1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000264438699 396280379 /nfs/dbraw/zinc/28/03/79/396280379.db2.gz WHYPRJZKLWVGMV-SNVBAGLBSA-N 0 1 322.369 0.137 10 5 DCBEMN CN1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000190372579 396405983 /nfs/dbraw/zinc/40/59/83/396405983.db2.gz MZSRNPCFQQCCRX-UHFFFAOYSA-N 0 1 317.305 0.775 10 5 DCBEMN CN(C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1cnn(C)c1 ZINC000301303732 416079711 /nfs/dbraw/zinc/07/97/11/416079711.db2.gz WWAAQCTZXMXWCT-SECBINFHSA-N 0 1 306.330 0.415 10 5 DCBEMN C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000408093012 417140150 /nfs/dbraw/zinc/14/01/50/417140150.db2.gz MTRPRXGHYHAHKQ-ZIAGYGMSSA-N 0 1 321.333 0.846 10 5 DCBEMN CN1CC[C@@H]2OCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000284845549 277151879 /nfs/dbraw/zinc/15/18/79/277151879.db2.gz CJKGCSVHRCXZRY-STQMWFEESA-N 0 1 320.349 0.722 10 5 DCBEMN CN1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000284885793 131119083 /nfs/dbraw/zinc/11/90/83/131119083.db2.gz GFARHSSAVGQZCQ-QWHCGFSZSA-N 0 1 320.349 0.722 10 5 DCBEMN C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)N1CCN(C)CC1 ZINC000263930503 396243393 /nfs/dbraw/zinc/24/33/93/396243393.db2.gz UQUGZAVWMGNBLQ-SNVBAGLBSA-N 0 1 322.369 0.137 10 5 DCBEMN C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285987694 396367691 /nfs/dbraw/zinc/36/76/91/396367691.db2.gz YDCOTTOPJQXPHQ-ZIAGYGMSSA-N 0 1 321.333 0.846 10 5 DCBEMN Cc1nc(CN2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)n[nH]1 ZINC000611431254 396867325 /nfs/dbraw/zinc/86/73/25/396867325.db2.gz FDGDNPHHFFNLMI-UHFFFAOYSA-N 0 1 320.357 0.036 10 5 DCBEMN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCCN3C)c1 ZINC000302201715 416097825 /nfs/dbraw/zinc/09/78/25/416097825.db2.gz VKUVROWMCTXPFY-KGLIPLIRSA-N 0 1 321.333 0.901 10 5 DCBEMN Cc1cc(OCC(=O)NC2(c3nn[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC000435853021 416540764 /nfs/dbraw/zinc/54/07/64/416540764.db2.gz ZZDMYFJPVUNBIT-UHFFFAOYSA-N 0 1 318.293 0.601 10 5 DCBEMN Cc1[nH]nc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000408028465 417132909 /nfs/dbraw/zinc/13/29/09/417132909.db2.gz DTJAFGDALRBTLO-UWVGGRQHSA-N 0 1 309.326 0.171 10 5 DCBEMN CCc1[nH]nc(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000378008876 281362950 /nfs/dbraw/zinc/36/29/50/281362950.db2.gz RGBLMQXZIOCGHK-VHSXEESVSA-N 0 1 309.326 0.035 10 5 DCBEMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000245556172 395932174 /nfs/dbraw/zinc/93/21/74/395932174.db2.gz IUMLDQGBHYAARM-RYUDHWBXSA-N 0 1 321.341 0.498 10 5 DCBEMN CCOCCN1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000246220885 395944466 /nfs/dbraw/zinc/94/44/66/395944466.db2.gz PBJOSFYXNYSDPJ-CYBMUJFWSA-N 0 1 311.386 0.834 10 5 DCBEMN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CC2 ZINC000153963252 396027959 /nfs/dbraw/zinc/02/79/59/396027959.db2.gz MUTKWVDZWRKVLZ-QMMMGPOBSA-N 0 1 319.325 0.778 10 5 DCBEMN COC[C@](C)(CCO)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177404947 396174686 /nfs/dbraw/zinc/17/46/86/396174686.db2.gz KMZMGHHKYSCBFE-AWEZNQCLSA-N 0 1 311.338 0.571 10 5 DCBEMN CNC(=O)[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000183666674 416249197 /nfs/dbraw/zinc/24/91/97/416249197.db2.gz DEVIXDAYTFRRHW-CQSZACIVSA-N 0 1 322.365 0.918 10 5 DCBEMN CN(CC(=O)N1CCNCC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000261636080 661338622 /nfs/dbraw/zinc/33/86/22/661338622.db2.gz CPWPVNSSNJOMBH-UHFFFAOYSA-N 0 1 318.337 0.339 10 5 DCBEMN COC(=O)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090525238 185300312 /nfs/dbraw/zinc/30/03/12/185300312.db2.gz CQNRBNXOIVDSFJ-LLVKDONJSA-N 0 1 309.322 0.642 10 5 DCBEMN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN2CCCC[C@@H]2C1 ZINC000195045318 395814409 /nfs/dbraw/zinc/81/44/09/395814409.db2.gz UDJLGNYTCSCCIP-GFCCVEGCSA-N 0 1 307.354 0.878 10 5 DCBEMN C[C@@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000112548592 395819000 /nfs/dbraw/zinc/81/90/00/395819000.db2.gz ULPRPNOBXLWFMK-RISCZKNCSA-N 0 1 322.365 0.842 10 5 DCBEMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000245556171 395932042 /nfs/dbraw/zinc/93/20/42/395932042.db2.gz IUMLDQGBHYAARM-NEPJUHHUSA-N 0 1 321.341 0.498 10 5 DCBEMN COC[C@](C)(CCO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000079920590 396272359 /nfs/dbraw/zinc/27/23/59/396272359.db2.gz AHNFSXWGBMICMN-AWEZNQCLSA-N 0 1 311.338 0.910 10 5 DCBEMN Cn1cc(N2CCC[C@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])C2)cn1 ZINC000119543500 158188876 /nfs/dbraw/zinc/18/88/76/158188876.db2.gz UGOBCHPPYGLXQM-VIFPVBQESA-N 0 1 319.325 0.450 10 5 DCBEMN CCc1nn(C)c(N2CC[C@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000408030648 160016757 /nfs/dbraw/zinc/01/67/57/160016757.db2.gz MLTQVAUSNWARAW-NWDGAFQWSA-N 0 1 309.370 0.800 10 5 DCBEMN O=[N+]([O-])c1ccc2[n-]c(S(=O)(=O)C[C@H]3CC[NH2+]C3)nc2c1 ZINC000095092104 415548929 /nfs/dbraw/zinc/54/89/29/415548929.db2.gz ZZWJYIZCPNUKKV-QMMMGPOBSA-N 0 1 310.335 0.854 10 5 DCBEMN CC[C@H](O)CN1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302029836 273754581 /nfs/dbraw/zinc/75/45/81/273754581.db2.gz JLFGHUPZEDXXSM-ZDUSSCGKSA-N 0 1 309.366 0.980 10 5 DCBEMN CN1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC1=O ZINC000131163803 524024471 /nfs/dbraw/zinc/02/44/71/524024471.db2.gz DUMAGENMEYQZAU-MRVPVSSYSA-N 0 1 317.305 0.822 10 5 DCBEMN COc1ccc(S(=O)(=O)NCc2cnc[nH]2)cc1[N+](=O)[O-] ZINC000088759662 773411362 /nfs/dbraw/zinc/41/13/62/773411362.db2.gz HVODSOJCWMIPQY-UHFFFAOYSA-N 0 1 312.307 0.805 10 5 DCBEMN Cc1nn(C)c(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000408040138 160019693 /nfs/dbraw/zinc/01/96/93/160019693.db2.gz DISBGGWUKHZUPK-GHMZBOCLSA-N 0 1 323.353 0.182 10 5 DCBEMN Cc1nn(C)c(C(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000408040138 160019696 /nfs/dbraw/zinc/01/96/96/160019696.db2.gz DISBGGWUKHZUPK-GHMZBOCLSA-N 0 1 323.353 0.182 10 5 DCBEMN C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000247504044 287094297 /nfs/dbraw/zinc/09/42/97/287094297.db2.gz MPOFGRBFUVXGJC-MNOVXSKESA-N 0 1 323.349 0.828 10 5 DCBEMN C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000247504044 287094300 /nfs/dbraw/zinc/09/43/00/287094300.db2.gz MPOFGRBFUVXGJC-MNOVXSKESA-N 0 1 323.349 0.828 10 5 DCBEMN Cc1nn(C)c(C(=O)N2CCCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000195410404 282255311 /nfs/dbraw/zinc/25/53/11/282255311.db2.gz KHPJRYJMOYKPLL-UHFFFAOYSA-N 0 1 307.354 0.947 10 5 DCBEMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[N@@H+]1CCO ZINC000187294096 200090124 /nfs/dbraw/zinc/09/01/24/200090124.db2.gz UTOCEDJVTQZFCN-SNVBAGLBSA-N 0 1 309.322 0.439 10 5 DCBEMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[N@H+]1CCO ZINC000187294096 200090126 /nfs/dbraw/zinc/09/01/26/200090126.db2.gz UTOCEDJVTQZFCN-SNVBAGLBSA-N 0 1 309.322 0.439 10 5 DCBEMN CN1CCN(CCNC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000020153975 182193343 /nfs/dbraw/zinc/19/33/43/182193343.db2.gz SBFMTAITBUANQO-UHFFFAOYSA-N 0 1 307.354 0.964 10 5 DCBEMN C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000112548713 395818930 /nfs/dbraw/zinc/81/89/30/395818930.db2.gz FZOYWMBWVXPCOY-SMDDNHRTSA-N 0 1 322.365 0.842 10 5 DCBEMN Cn1cc([C@@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000246829994 395958895 /nfs/dbraw/zinc/95/88/95/395958895.db2.gz YDKJMVDGRSMPPX-KGLIPLIRSA-N 0 1 320.353 0.723 10 5 DCBEMN C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000154880315 396043822 /nfs/dbraw/zinc/04/38/22/396043822.db2.gz MPOFGRBFUVXGJC-WDEREUQCSA-N 0 1 323.349 0.828 10 5 DCBEMN C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000154880315 396043826 /nfs/dbraw/zinc/04/38/26/396043826.db2.gz MPOFGRBFUVXGJC-WDEREUQCSA-N 0 1 323.349 0.828 10 5 DCBEMN Cc1cccc(C(=O)N(C)CC(=O)N2CCNCC2)c1[N+](=O)[O-] ZINC000261782003 396064747 /nfs/dbraw/zinc/06/47/47/396064747.db2.gz SBYVDEADLVNOOX-UHFFFAOYSA-N 0 1 320.349 0.407 10 5 DCBEMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN(C2CC2)C(=O)C1 ZINC000611558211 396885804 /nfs/dbraw/zinc/88/58/04/396885804.db2.gz ZMMHXJKBBUHZIQ-UHFFFAOYSA-N 0 1 305.290 0.747 10 5 DCBEMN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C(=O)CN(C)C)CC2)n1 ZINC000611615696 396895798 /nfs/dbraw/zinc/89/57/98/396895798.db2.gz IFIPBGJFYOQXPC-UHFFFAOYSA-N 0 1 321.381 0.817 10 5 DCBEMN Cn1cc(N2CCC[C@@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])C2)cn1 ZINC000119543674 158189256 /nfs/dbraw/zinc/18/92/56/158189256.db2.gz UGOBCHPPYGLXQM-SECBINFHSA-N 0 1 319.325 0.450 10 5 DCBEMN CCc1nn(C)c(N2CC[C@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408030651 160016916 /nfs/dbraw/zinc/01/69/16/160016916.db2.gz MLTQVAUSNWARAW-VXGBXAGGSA-N 0 1 309.370 0.800 10 5 DCBEMN CN1CCO[C@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000356913933 416005098 /nfs/dbraw/zinc/00/50/98/416005098.db2.gz OPKRQFYUEQBCBI-OLZOCXBDSA-N 0 1 307.306 0.455 10 5 DCBEMN CN(CC(=O)N1CCNCC1)c1ncc([N+](=O)[O-])cc1Cl ZINC000234246388 658229346 /nfs/dbraw/zinc/22/93/46/658229346.db2.gz SKVVIZGOKJNZJW-UHFFFAOYSA-N 0 1 313.745 0.511 10 5 DCBEMN C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285987691 396367910 /nfs/dbraw/zinc/36/79/10/396367910.db2.gz YDCOTTOPJQXPHQ-UONOGXRCSA-N 0 1 321.333 0.846 10 5 DCBEMN C[C@H]1C[N@H+](C2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CCO1 ZINC000408073357 160029398 /nfs/dbraw/zinc/02/93/98/160029398.db2.gz QHCSSCVRYIYWGL-JTQLQIEISA-N 0 1 323.353 0.643 10 5 DCBEMN C[C@H]1CN(C2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CCO1 ZINC000408073357 160029399 /nfs/dbraw/zinc/02/93/99/160029399.db2.gz QHCSSCVRYIYWGL-JTQLQIEISA-N 0 1 323.353 0.643 10 5 DCBEMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408183474 160054712 /nfs/dbraw/zinc/05/47/12/160054712.db2.gz RKCFETYPNRXLEL-MNOVXSKESA-N 0 1 308.342 0.272 10 5 DCBEMN O=C(CCN1CCNC(=O)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128503753 526490802 /nfs/dbraw/zinc/49/08/02/526490802.db2.gz JPFJFWWEGXKKSH-UHFFFAOYSA-N 0 1 324.312 0.884 10 5 DCBEMN CC(=O)[C@H](O)[C@@H](O)N(CCc1ccc(O)c([N+](=O)[O-])c1)N=O ZINC000299754612 527151077 /nfs/dbraw/zinc/15/10/77/527151077.db2.gz ATSJJPKTXXFWFI-NWDGAFQWSA-N 0 1 313.266 0.095 10 5 DCBEMN C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000037647600 1171441613 /nfs/dbraw/zinc/44/16/13/1171441613.db2.gz ODXQMGRCWNXHEF-VIFPVBQESA-N 0 1 315.351 0.530 10 5 DCBEMN C[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000187280742 200088258 /nfs/dbraw/zinc/08/82/58/200088258.db2.gz KZIQFFHJHWQWNP-SNVBAGLBSA-N 0 1 309.322 0.439 10 5 DCBEMN C[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000187280742 200088260 /nfs/dbraw/zinc/08/82/60/200088260.db2.gz KZIQFFHJHWQWNP-SNVBAGLBSA-N 0 1 309.322 0.439 10 5 DCBEMN Cc1[nH]nc(C(=O)N2CCN(C(=O)C(C)C)CC2)c1[N+](=O)[O-] ZINC000299501116 533661057 /nfs/dbraw/zinc/66/10/57/533661057.db2.gz CVAGGCHEDJLKLN-UHFFFAOYSA-N 0 1 309.326 0.567 10 5 DCBEMN CN(CC(=O)N1CCNCC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000261826759 396070535 /nfs/dbraw/zinc/07/05/35/396070535.db2.gz BDABAXMOSQNRJE-UHFFFAOYSA-N 0 1 306.322 0.099 10 5 DCBEMN C[C@@H]1CN(C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CCO1 ZINC000136502684 158342405 /nfs/dbraw/zinc/34/24/05/158342405.db2.gz UJFCNASFEWLNFP-SNVBAGLBSA-N 0 1 323.353 0.643 10 5 DCBEMN Cc1[nH]nc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000408028466 160015967 /nfs/dbraw/zinc/01/59/67/160015967.db2.gz DTJAFGDALRBTLO-VHSXEESVSA-N 0 1 309.326 0.171 10 5 DCBEMN CCc1[nH]nc(C(=O)N2CC(NC(=O)C3CCC3)C2)c1[N+](=O)[O-] ZINC000188508209 523667091 /nfs/dbraw/zinc/66/70/91/523667091.db2.gz DJUUQXFYCCVRSZ-UHFFFAOYSA-N 0 1 321.337 0.621 10 5 DCBEMN C[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])[C@H]2C1 ZINC000285114302 536480052 /nfs/dbraw/zinc/48/00/52/536480052.db2.gz VAEQHAWWJDETCO-WCQYABFASA-N 0 1 321.333 0.846 10 5 DCBEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000263539901 396220158 /nfs/dbraw/zinc/22/01/58/396220158.db2.gz BYXKKAQFUVWUKO-UHFFFAOYSA-N 0 1 310.314 0.316 10 5 DCBEMN O=[N+]([O-])c1ccc2[n-]c(S(=O)(=O)C[C@H]3CCC[NH2+]3)nc2c1 ZINC000095092100 415548893 /nfs/dbraw/zinc/54/88/93/415548893.db2.gz AUHMTMLIKIUROZ-MRVPVSSYSA-N 0 1 310.335 0.997 10 5 DCBEMN C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000097106846 415585449 /nfs/dbraw/zinc/58/54/49/415585449.db2.gz OOACTAIQSZCLFL-JTQLQIEISA-N 0 1 308.338 0.887 10 5 DCBEMN C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000097106846 415585459 /nfs/dbraw/zinc/58/54/59/415585459.db2.gz OOACTAIQSZCLFL-JTQLQIEISA-N 0 1 308.338 0.887 10 5 DCBEMN CCNC(=O)C1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000178119654 416158032 /nfs/dbraw/zinc/15/80/32/416158032.db2.gz VZJXSMSGWDVIGD-UHFFFAOYSA-N 0 1 317.305 0.679 10 5 DCBEMN CCOC(=O)[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC12COC2 ZINC000451132264 417302782 /nfs/dbraw/zinc/30/27/82/417302782.db2.gz IOBQGBAWXKRZAY-GFCCVEGCSA-N 0 1 324.337 0.303 10 5 DCBEMN CC(=O)[C@@H](O)[C@H](O)N(CCc1ccc(O)c([N+](=O)[O-])c1)N=O ZINC000299754611 527130924 /nfs/dbraw/zinc/13/09/24/527130924.db2.gz ATSJJPKTXXFWFI-NEPJUHHUSA-N 0 1 313.266 0.095 10 5 DCBEMN O=[N+]([O-])c1cc(CNC[C@@H](O)CO)ccc1Br ZINC000090282802 545716228 /nfs/dbraw/zinc/71/62/28/545716228.db2.gz BAEUPRKMVYTOCM-MRVPVSSYSA-N 0 1 305.128 0.800 10 5 DCBEMN O=C(NC1(C(=O)NCC2CC2)CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000119056228 768448234 /nfs/dbraw/zinc/44/82/34/768448234.db2.gz LUMVTUZKTMGCNZ-UHFFFAOYSA-N 0 1 321.337 0.887 10 5 DCBEMN C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000187706815 237354256 /nfs/dbraw/zinc/35/42/56/237354256.db2.gz OFNPGLVAPGFKBK-ZDUSSCGKSA-N 0 1 309.366 0.972 10 5 DCBEMN Cc1sc(C(=O)NCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000193089186 396443590 /nfs/dbraw/zinc/44/35/90/396443590.db2.gz RNVKFWIHDPHJPA-UHFFFAOYSA-N 0 1 312.395 0.942 10 5 DCBEMN CC(C)(CO)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000611240855 396843923 /nfs/dbraw/zinc/84/39/23/396843923.db2.gz JDHGOVYETCHQGL-UHFFFAOYSA-N 0 1 320.353 0.530 10 5 DCBEMN C[C@@H]1C[N@H+](C2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CCO1 ZINC000408073359 160029641 /nfs/dbraw/zinc/02/96/41/160029641.db2.gz QHCSSCVRYIYWGL-SNVBAGLBSA-N 0 1 323.353 0.643 10 5 DCBEMN C[C@@H]1CN(C2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CCO1 ZINC000408073359 160029644 /nfs/dbraw/zinc/02/96/44/160029644.db2.gz QHCSSCVRYIYWGL-SNVBAGLBSA-N 0 1 323.353 0.643 10 5 DCBEMN CN1CCO[C@@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000285259435 415608969 /nfs/dbraw/zinc/60/89/69/415608969.db2.gz ZMEKNCQPCXTLNU-ZIAGYGMSSA-N 0 1 320.349 0.603 10 5 DCBEMN Cc1nc([C@H]2CN(CCn3ccc([N+](=O)[O-])n3)CCO2)n[nH]1 ZINC000176270440 416124300 /nfs/dbraw/zinc/12/43/00/416124300.db2.gz CCNTUPFJJKOQRL-SNVBAGLBSA-N 0 1 307.314 0.291 10 5 DCBEMN CC(C)c1[nH]nc(C(=O)N(C)Cc2nnnn2C)c1[N+](=O)[O-] ZINC000434259956 271518232 /nfs/dbraw/zinc/51/82/32/271518232.db2.gz JQTCOENCIABNEO-UHFFFAOYSA-N 0 1 308.302 0.237 10 5 DCBEMN CN(CC(=O)N1CCNCC1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000149403801 522440535 /nfs/dbraw/zinc/44/05/35/522440535.db2.gz DRVFUEAFNMZIPT-UHFFFAOYSA-N 0 1 313.745 0.511 10 5 DCBEMN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000160470443 526895290 /nfs/dbraw/zinc/89/52/90/526895290.db2.gz NYWPJCQFMWBLMS-SECBINFHSA-N 0 1 317.309 0.507 10 5 DCBEMN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)N1CCNCC1 ZINC000261837927 396071349 /nfs/dbraw/zinc/07/13/49/396071349.db2.gz YGWJYGUHNBJWHB-UHFFFAOYSA-N 0 1 320.349 0.407 10 5 DCBEMN CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000185221166 396322005 /nfs/dbraw/zinc/32/20/05/396322005.db2.gz TWNNXXXOICDHEO-NSHDSACASA-N 0 1 323.349 0.829 10 5 DCBEMN Cc1ccc(N(C)C[C@H](O)C[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000301827293 396717868 /nfs/dbraw/zinc/71/78/68/396717868.db2.gz PPAKLEZNUGGKGG-AWEZNQCLSA-N 0 1 322.409 0.948 10 5 DCBEMN Cc1ccc(N(C)C[C@H](O)CN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000301827293 396717871 /nfs/dbraw/zinc/71/78/71/396717871.db2.gz PPAKLEZNUGGKGG-AWEZNQCLSA-N 0 1 322.409 0.948 10 5 DCBEMN COC(=O)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000136768578 287027208 /nfs/dbraw/zinc/02/72/08/287027208.db2.gz JVKJFJXUJJGKKC-JTQLQIEISA-N 0 1 304.262 0.962 10 5 DCBEMN O=[N+]([O-])c1ccc2[n-]c(S(=O)(=O)[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000095092094 415549691 /nfs/dbraw/zinc/54/96/91/415549691.db2.gz JVUVGBICYZUMPK-SECBINFHSA-N 0 1 310.335 0.997 10 5 DCBEMN COc1cc(C(=O)NC2(c3nn[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC000357039353 416025971 /nfs/dbraw/zinc/02/59/71/416025971.db2.gz BOWBWNVUABHDOC-UHFFFAOYSA-N 0 1 304.266 0.536 10 5 DCBEMN COC(=O)c1cc(N2C[C@H]3OCCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301679678 416088644 /nfs/dbraw/zinc/08/86/44/416088644.db2.gz ULQMLGOTJFNTBG-UONOGXRCSA-N 0 1 321.333 0.901 10 5 DCBEMN CN(Cc1nnc[nH]1)c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000301765101 416092323 /nfs/dbraw/zinc/09/23/23/416092323.db2.gz BCMWTSMPWPKUMU-UHFFFAOYSA-N 0 1 311.323 0.753 10 5 DCBEMN CN1CCO[C@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@@H]21 ZINC000301968199 416097670 /nfs/dbraw/zinc/09/76/70/416097670.db2.gz PGUKZBMAZRRGRL-UWVGGRQHSA-N 0 1 304.310 0.157 10 5 DCBEMN O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCN2CCCC[C@H]2C1 ZINC000161700530 526468206 /nfs/dbraw/zinc/46/82/06/526468206.db2.gz CYXYMBCQADNMJD-LBPRGKRZSA-N 0 1 322.369 0.671 10 5 DCBEMN CCCc1[nH]nc(C(=O)N2CCO[C@@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000183827316 186221609 /nfs/dbraw/zinc/22/16/09/186221609.db2.gz YWUBMMMZSSCJPJ-AWEZNQCLSA-N 0 1 324.337 0.902 10 5 DCBEMN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000161440536 237096425 /nfs/dbraw/zinc/09/64/25/237096425.db2.gz MIRASAMLIXXJQB-JTQLQIEISA-N 0 1 323.396 0.247 10 5 DCBEMN Cc1nc(CN2CCN(c3cccnc3[N+](=O)[O-])CC2)n[nH]1 ZINC000611617500 396896219 /nfs/dbraw/zinc/89/62/19/396896219.db2.gz CWWGZXIVZYRXDQ-UHFFFAOYSA-N 0 1 303.326 0.739 10 5 DCBEMN O=C(NC1(CCO)CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000614015160 397361725 /nfs/dbraw/zinc/36/17/25/397361725.db2.gz PWROBRGEJRWYEC-UHFFFAOYSA-N 0 1 310.306 0.962 10 5 DCBEMN CN(CC(=O)NC1(c2nn[nH]n2)CC1)c1ccccc1[N+](=O)[O-] ZINC000357065567 416028749 /nfs/dbraw/zinc/02/87/49/416028749.db2.gz FVDAFFHPKNVSIT-UHFFFAOYSA-N 0 1 317.309 0.350 10 5 DCBEMN CN(C)CC(=O)N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302824199 276776497 /nfs/dbraw/zinc/77/64/97/276776497.db2.gz WKIPTEGCLDBJOO-UHFFFAOYSA-N 0 1 310.329 0.944 10 5 DCBEMN C[C@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000112548749 395818791 /nfs/dbraw/zinc/81/87/91/395818791.db2.gz CVCYHFSAGPAUMO-RYUDHWBXSA-N 0 1 322.365 0.842 10 5 DCBEMN COC[C@@](C)(CCO)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177404931 396174639 /nfs/dbraw/zinc/17/46/39/396174639.db2.gz KMZMGHHKYSCBFE-CQSZACIVSA-N 0 1 311.338 0.571 10 5 DCBEMN C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285987689 396367780 /nfs/dbraw/zinc/36/77/80/396367780.db2.gz YDCOTTOPJQXPHQ-KGLIPLIRSA-N 0 1 321.333 0.846 10 5 DCBEMN C[C@H]1C(=O)NCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000188089902 396379124 /nfs/dbraw/zinc/37/91/24/396379124.db2.gz ABPQXQLITXMOFH-QMMMGPOBSA-N 0 1 317.305 0.822 10 5 DCBEMN CCN1CC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1=O ZINC000619825269 397197501 /nfs/dbraw/zinc/19/75/01/397197501.db2.gz JQVYALFHRINCKR-NSHDSACASA-N 0 1 317.305 0.822 10 5 DCBEMN O=C(Cc1nn[nH]n1)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000408494137 160119841 /nfs/dbraw/zinc/11/98/41/160119841.db2.gz BWTGRGXGXIXUAU-UHFFFAOYSA-N 0 1 306.238 0.060 10 5 DCBEMN CNC(=O)[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000183666659 261116228 /nfs/dbraw/zinc/11/62/28/261116228.db2.gz DEVIXDAYTFRRHW-AWEZNQCLSA-N 0 1 322.365 0.918 10 5 DCBEMN C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)[C@@H]2C1 ZINC000285275520 536468746 /nfs/dbraw/zinc/46/87/46/536468746.db2.gz AWZLOEYESJWELE-OCCSQVGLSA-N 0 1 321.333 0.846 10 5 DCBEMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cnc[nH]1 ZINC000088759543 1175274370 /nfs/dbraw/zinc/27/43/70/1175274370.db2.gz FIPXVSOHMCGYLY-UHFFFAOYSA-N 0 1 312.307 0.805 10 5 DCBEMN C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@@H]1C ZINC000182052547 199379765 /nfs/dbraw/zinc/37/97/65/199379765.db2.gz RTLICRJVPULJSD-WDEREUQCSA-N 0 1 323.349 0.828 10 5 DCBEMN C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@@H]1C ZINC000182052547 199379767 /nfs/dbraw/zinc/37/97/67/199379767.db2.gz RTLICRJVPULJSD-WDEREUQCSA-N 0 1 323.349 0.828 10 5 DCBEMN COCCN1CCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000119593155 158189830 /nfs/dbraw/zinc/18/98/30/158189830.db2.gz ZPUQXZPETRYKHA-SNVBAGLBSA-N 0 1 311.342 0.169 10 5 DCBEMN CNc1ccc(C(=O)NC2(c3nn[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000519576164 416916095 /nfs/dbraw/zinc/91/60/95/416916095.db2.gz OCVRNHHWJIWPOU-UHFFFAOYSA-N 0 1 303.282 0.569 10 5 DCBEMN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3OCCN(C)[C@H]3C2)c1 ZINC000302201716 274004721 /nfs/dbraw/zinc/00/47/21/274004721.db2.gz VKUVROWMCTXPFY-UONOGXRCSA-N 0 1 321.333 0.901 10 5 DCBEMN CC[C@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000179484910 199043707 /nfs/dbraw/zinc/04/37/07/199043707.db2.gz YRDZJWGKWAKOFO-LBPRGKRZSA-N 0 1 323.349 0.829 10 5 DCBEMN C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N(C)C ZINC000451926059 240731817 /nfs/dbraw/zinc/73/18/17/240731817.db2.gz HEWYETITCKCAKO-JTQLQIEISA-N 0 1 301.368 0.964 10 5 DCBEMN C[C@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000112548717 395818952 /nfs/dbraw/zinc/81/89/52/395818952.db2.gz FZOYWMBWVXPCOY-FZMZJTMJSA-N 0 1 322.365 0.842 10 5 DCBEMN CN1CCO[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000356913934 416005465 /nfs/dbraw/zinc/00/54/65/416005465.db2.gz OPKRQFYUEQBCBI-QWHCGFSZSA-N 0 1 307.306 0.455 10 5 DCBEMN CC(=O)[C@@](C)(O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450573577 417237801 /nfs/dbraw/zinc/23/78/01/417237801.db2.gz XNNHDDDWYFNFGJ-RISCZKNCSA-N 0 1 308.338 0.816 10 5 DCBEMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000155725250 524901048 /nfs/dbraw/zinc/90/10/48/524901048.db2.gz VLVJYESECKYJRQ-GHMZBOCLSA-N 0 1 308.338 0.308 10 5 DCBEMN C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)[C@H]2C1 ZINC000285275511 536479593 /nfs/dbraw/zinc/47/95/93/536479593.db2.gz AWZLOEYESJWELE-GXTWGEPZSA-N 0 1 321.333 0.846 10 5 DCBEMN Cn1cncc1CN[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000176998146 658440966 /nfs/dbraw/zinc/44/09/66/658440966.db2.gz TXVIIOQBTDSWQY-UONOGXRCSA-N 0 1 306.322 0.512 10 5 DCBEMN O=C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1 ZINC000181752215 199346954 /nfs/dbraw/zinc/34/69/54/199346954.db2.gz VBPBVEBRYNVHDJ-NSHDSACASA-N 0 1 309.322 0.156 10 5 DCBEMN Cc1[nH]nc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000266056414 205061558 /nfs/dbraw/zinc/06/15/58/205061558.db2.gz ZGSAKCXRYIKWFP-VIFPVBQESA-N 0 1 308.216 0.766 10 5 DCBEMN Cc1cc(C(=O)N(C)CC(=O)N2CCNCC2)cc([N+](=O)[O-])c1 ZINC000261937317 396081794 /nfs/dbraw/zinc/08/17/94/396081794.db2.gz UDRCHIZYHZRBAI-UHFFFAOYSA-N 0 1 320.349 0.407 10 5 DCBEMN COCCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184296686 396290263 /nfs/dbraw/zinc/29/02/63/396290263.db2.gz HOWXTQQPJANOQB-SNVBAGLBSA-N 0 1 323.353 0.413 10 5 DCBEMN COC[C@@](C)(CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000613534964 397275899 /nfs/dbraw/zinc/27/58/99/397275899.db2.gz YZDCWAPNBRCICC-CYBMUJFWSA-N 0 1 308.294 0.598 10 5 DCBEMN CN1CCO[C@H]2CN(c3nc4sccn4c3[N+](=O)[O-])C[C@@H]21 ZINC000153152883 415976134 /nfs/dbraw/zinc/97/61/34/415976134.db2.gz KBVHEQWGNVPSAW-IUCAKERBSA-N 0 1 309.351 0.823 10 5 DCBEMN CCOCCN1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000174849378 416087476 /nfs/dbraw/zinc/08/74/76/416087476.db2.gz FOEOWJMBZQXRIK-ZDUSSCGKSA-N 0 1 311.386 0.834 10 5 DCBEMN CN1CCO[C@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@H]21 ZINC000301968201 416097778 /nfs/dbraw/zinc/09/77/78/416097778.db2.gz PGUKZBMAZRRGRL-ZJUUUORDSA-N 0 1 304.310 0.157 10 5 DCBEMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](n2cncn2)C1 ZINC000179211795 416184286 /nfs/dbraw/zinc/18/42/86/416184286.db2.gz WCAPGDSCSRSBCP-GFCCVEGCSA-N 0 1 318.337 0.685 10 5 DCBEMN O=[N+]([O-])c1ccc(S(=O)(=O)NCC(F)(F)CO)s1 ZINC000184297463 261118949 /nfs/dbraw/zinc/11/89/49/261118949.db2.gz PKHRQXSHBFZZRU-UHFFFAOYSA-N 0 1 302.280 0.562 10 5 DCBEMN CCOC(=O)C(=O)Cc1cc(C2OCCO2)ncc1[N+](=O)[O-] ZINC000197055094 520402190 /nfs/dbraw/zinc/40/21/90/520402190.db2.gz OJZFKHWTCIANAD-UHFFFAOYSA-N 0 1 310.262 0.710 10 5 DCBEMN CN(CC(=O)N1CCNCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261825184 396070478 /nfs/dbraw/zinc/07/04/78/396070478.db2.gz WZZQVZXYPXGEGW-UHFFFAOYSA-N 0 1 320.349 0.028 10 5 DCBEMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCNC(=O)CC1 ZINC000194960104 158602612 /nfs/dbraw/zinc/60/26/12/158602612.db2.gz BPQVFCPYUVAQCG-UHFFFAOYSA-N 0 1 303.278 0.433 10 5 DCBEMN O=[N+]([O-])c1ccc2[n-]c(S(=O)(=O)C[C@@H]3CCC[NH2+]3)nc2c1 ZINC000095092099 415549521 /nfs/dbraw/zinc/54/95/21/415549521.db2.gz AUHMTMLIKIUROZ-QMMMGPOBSA-N 0 1 310.335 0.997 10 5 DCBEMN O=[N+]([O-])c1ccc2[n-]c(S(=O)(=O)C[C@@H]3CC[NH2+]C3)nc2c1 ZINC000095092103 415549603 /nfs/dbraw/zinc/54/96/03/415549603.db2.gz ZZWJYIZCPNUKKV-MRVPVSSYSA-N 0 1 310.335 0.854 10 5 DCBEMN CN1CCO[C@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000285259422 415611087 /nfs/dbraw/zinc/61/10/87/415611087.db2.gz ZMEKNCQPCXTLNU-KBPBESRZSA-N 0 1 320.349 0.603 10 5 DCBEMN Cc1nc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)n[nH]1 ZINC000173528050 416060777 /nfs/dbraw/zinc/06/07/77/416060777.db2.gz ACEGOEDUSLRWSL-VIFPVBQESA-N 0 1 307.266 0.828 10 5 DCBEMN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCc1nc(=O)[nH][nH]1 ZINC000174578403 416081975 /nfs/dbraw/zinc/08/19/75/416081975.db2.gz JQFHWQXCQMVAKG-UHFFFAOYSA-N 0 1 305.294 0.677 10 5 DCBEMN CN1CCO[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@@H]21 ZINC000301968200 416097154 /nfs/dbraw/zinc/09/71/54/416097154.db2.gz PGUKZBMAZRRGRL-VHSXEESVSA-N 0 1 304.310 0.157 10 5 DCBEMN CNC(=O)[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000178586178 416165909 /nfs/dbraw/zinc/16/59/09/416165909.db2.gz YMDZDDFOONTDAN-NSHDSACASA-N 0 1 319.321 0.972 10 5 DCBEMN O=[N+]([O-])c1cnc2ccc(NCCN3C[C@H]4CC[C@@H](C3)O4)nn21 ZINC000450791497 417267500 /nfs/dbraw/zinc/26/75/00/417267500.db2.gz LZJNSGSHCMJISG-PHIMTYICSA-N 0 1 318.337 0.913 10 5 DCBEMN CN1CC[C@H]2OCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000284845543 277179931 /nfs/dbraw/zinc/17/99/31/277179931.db2.gz CJKGCSVHRCXZRY-CHWSQXEVSA-N 0 1 320.349 0.722 10 5 DCBEMN C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)[C@H]2C1 ZINC000285716776 290236098 /nfs/dbraw/zinc/23/60/98/290236098.db2.gz JOBWVLSVIFBZKT-GXTWGEPZSA-N 0 1 321.333 0.846 10 5 DCBEMN O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCN2CCCC[C@@H]2C1 ZINC000161700416 526467211 /nfs/dbraw/zinc/46/72/11/526467211.db2.gz CYXYMBCQADNMJD-GFCCVEGCSA-N 0 1 322.369 0.671 10 5 DCBEMN Cn1cncc1CN[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000176998186 658440464 /nfs/dbraw/zinc/44/04/64/658440464.db2.gz TXVIIOQBTDSWQY-KGLIPLIRSA-N 0 1 306.322 0.512 10 5 DCBEMN CN(C)C(=O)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159700553 291236134 /nfs/dbraw/zinc/23/61/34/291236134.db2.gz BEYUFXZTRUBAJB-UHFFFAOYSA-N 0 1 322.365 0.557 10 5 DCBEMN CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000185221185 396322516 /nfs/dbraw/zinc/32/25/16/396322516.db2.gz TWNNXXXOICDHEO-LLVKDONJSA-N 0 1 323.349 0.829 10 5 DCBEMN Nc1ncc([N+](=O)[O-])cc1C(=O)NCCCCN1CCOCC1 ZINC000180534111 158479696 /nfs/dbraw/zinc/47/96/96/158479696.db2.gz NJVQZSBPNYNZOQ-UHFFFAOYSA-N 0 1 323.353 0.414 10 5 DCBEMN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1cnn(C)c1 ZINC000301303733 416079774 /nfs/dbraw/zinc/07/97/74/416079774.db2.gz WWAAQCTZXMXWCT-VIFPVBQESA-N 0 1 306.330 0.415 10 5 DCBEMN CC[C@@H](O)CN1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302029498 416098231 /nfs/dbraw/zinc/09/82/31/416098231.db2.gz JLFGHUPZEDXXSM-CYBMUJFWSA-N 0 1 309.366 0.980 10 5 DCBEMN CN1CCO[C@@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000285259430 277121438 /nfs/dbraw/zinc/12/14/38/277121438.db2.gz ZMEKNCQPCXTLNU-UONOGXRCSA-N 0 1 320.349 0.603 10 5 DCBEMN CN1CCO[C@@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000408226674 277125310 /nfs/dbraw/zinc/12/53/10/277125310.db2.gz OULWJRZIDAOTMT-QWHCGFSZSA-N 0 1 303.322 0.990 10 5 DCBEMN C[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])[C@H]2C1 ZINC000285828628 290236154 /nfs/dbraw/zinc/23/61/54/290236154.db2.gz PHFVZQQGDRBYMD-QWHCGFSZSA-N 0 1 321.333 0.846 10 5 DCBEMN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCCc2[nH]ncc21 ZINC000164427386 526467582 /nfs/dbraw/zinc/46/75/82/526467582.db2.gz XVLOIOMIAUZYHM-JTQLQIEISA-N 0 1 304.310 0.751 10 5 DCBEMN Cc1n[nH]c(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285623725 131186980 /nfs/dbraw/zinc/18/69/80/131186980.db2.gz DPIOVDNPRGHCKY-UWVGGRQHSA-N 0 1 309.326 0.171 10 5 DCBEMN Cc1n[nH]c(C(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285623725 131186985 /nfs/dbraw/zinc/18/69/85/131186985.db2.gz DPIOVDNPRGHCKY-UWVGGRQHSA-N 0 1 309.326 0.171 10 5 DCBEMN Cc1[nH]nc(C(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285623725 131186986 /nfs/dbraw/zinc/18/69/86/131186986.db2.gz DPIOVDNPRGHCKY-UWVGGRQHSA-N 0 1 309.326 0.171 10 5 DCBEMN CN(C[C@H](O)CN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000091483127 395725492 /nfs/dbraw/zinc/72/54/92/395725492.db2.gz KCWCBBSRHTZCOA-HNNXBMFYSA-N 0 1 308.382 0.639 10 5 DCBEMN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN2CCCC[C@H]2C1 ZINC000195368764 395825482 /nfs/dbraw/zinc/82/54/82/395825482.db2.gz HABSWTXSOOBPAR-LBPRGKRZSA-N 0 1 320.349 0.453 10 5 DCBEMN Cn1nccc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123702186 395896606 /nfs/dbraw/zinc/89/66/06/395896606.db2.gz JUQDDOLDYUYTOI-UHFFFAOYSA-N 0 1 314.298 0.946 10 5 DCBEMN C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCS1(=O)=O ZINC000272575333 395900626 /nfs/dbraw/zinc/90/06/26/395900626.db2.gz SPSLBVORFPVHLR-QMMMGPOBSA-N 0 1 314.319 0.560 10 5 DCBEMN CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000164980056 416018697 /nfs/dbraw/zinc/01/86/97/416018697.db2.gz CDRUNTPAHPJEPU-GFCCVEGCSA-N 0 1 323.349 0.829 10 5 DCBEMN COc1cccc(C(=O)NC2(c3nn[nH]n3)CC2)c1[N+](=O)[O-] ZINC000444383371 416837528 /nfs/dbraw/zinc/83/75/28/416837528.db2.gz QMIAVNYVZPEQMJ-UHFFFAOYSA-N 0 1 304.266 0.536 10 5 DCBEMN C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@H]2C1 ZINC000285834237 290167963 /nfs/dbraw/zinc/16/79/63/290167963.db2.gz POBHXXSRIFJTFP-JSGCOSHPSA-N 0 1 321.333 0.846 10 5 DCBEMN COc1ccccc1[C@@H](O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000135875554 667668818 /nfs/dbraw/zinc/66/88/18/667668818.db2.gz MBQCQXGYSAHCAM-JTQLQIEISA-N 0 1 306.278 0.790 10 5 DCBEMN CN1CCO[C@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000284428060 283027202 /nfs/dbraw/zinc/02/72/02/283027202.db2.gz FKHLKRYKOCWVDB-KGLIPLIRSA-N 0 1 321.333 0.846 10 5 DCBEMN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCN1CCO ZINC000187678219 237354129 /nfs/dbraw/zinc/35/41/29/237354129.db2.gz PZBYNAHHGOPULC-ZDUSSCGKSA-N 0 1 309.366 0.972 10 5 DCBEMN C[C@H](CNc1ccc([N+](=O)[O-])cc1C(N)=O)N1CCN(C)CC1 ZINC000301231717 416078083 /nfs/dbraw/zinc/07/80/83/416078083.db2.gz JRDAIIGLJRJNRI-LLVKDONJSA-N 0 1 321.381 0.742 10 5 DCBEMN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CNC[C@H](F)C2)cc1 ZINC000757067142 670347821 /nfs/dbraw/zinc/34/78/21/670347821.db2.gz KYZOLNBHWBRMMX-BDAKNGLRSA-N 0 1 303.315 0.573 10 5 DCBEMN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN2CCCC[C@H]2C1 ZINC000195045331 395814070 /nfs/dbraw/zinc/81/40/70/395814070.db2.gz UDJLGNYTCSCCIP-LBPRGKRZSA-N 0 1 307.354 0.878 10 5 DCBEMN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nnc[nH]1 ZINC000183200701 396265030 /nfs/dbraw/zinc/26/50/30/396265030.db2.gz AMPSSOORYRWNSS-RXMQYKEDSA-N 0 1 303.325 0.814 10 5 DCBEMN O=C(NCCCn1ccnn1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000184997310 396313686 /nfs/dbraw/zinc/31/36/86/396313686.db2.gz MZZHNYCMFQIVNS-UHFFFAOYSA-N 0 1 315.293 0.883 10 5 DCBEMN Cc1nn(C)c(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000408040139 160019797 /nfs/dbraw/zinc/01/97/97/160019797.db2.gz DISBGGWUKHZUPK-MNOVXSKESA-N 0 1 323.353 0.182 10 5 DCBEMN Cc1nn(C)c(C(=O)N2CCO[C@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000408040139 160019798 /nfs/dbraw/zinc/01/97/98/160019798.db2.gz DISBGGWUKHZUPK-MNOVXSKESA-N 0 1 323.353 0.182 10 5 DCBEMN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCc2[nH]ncc21 ZINC000164427279 416017474 /nfs/dbraw/zinc/01/74/74/416017474.db2.gz XVLOIOMIAUZYHM-SNVBAGLBSA-N 0 1 304.310 0.751 10 5 DCBEMN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(CC2CC2)CC1 ZINC000298754762 416027240 /nfs/dbraw/zinc/02/72/40/416027240.db2.gz VHFQSRBYHLJHSD-UHFFFAOYSA-N 0 1 305.338 0.621 10 5 DCBEMN COC(=O)c1cc(N2C[C@H]3OCCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000301679679 416088259 /nfs/dbraw/zinc/08/82/59/416088259.db2.gz ULQMLGOTJFNTBG-ZIAGYGMSSA-N 0 1 321.333 0.901 10 5 DCBEMN C[C@H]1CN(C)C[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000155725133 524567218 /nfs/dbraw/zinc/56/72/18/524567218.db2.gz VLVJYESECKYJRQ-QWRGUYRKSA-N 0 1 308.338 0.308 10 5 DCBEMN CCc1[nH]nc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000284758018 536001545 /nfs/dbraw/zinc/00/15/45/536001545.db2.gz OMYGRIFELWXEBI-MNOVXSKESA-N 0 1 323.353 0.425 10 5 DCBEMN Cc1n[nH]c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000285623710 131186833 /nfs/dbraw/zinc/18/68/33/131186833.db2.gz DPIOVDNPRGHCKY-NXEZZACHSA-N 0 1 309.326 0.171 10 5 DCBEMN Cc1n[nH]c(C(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000285623710 131186837 /nfs/dbraw/zinc/18/68/37/131186837.db2.gz DPIOVDNPRGHCKY-NXEZZACHSA-N 0 1 309.326 0.171 10 5 DCBEMN Cc1[nH]nc(C(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000285623710 131186838 /nfs/dbraw/zinc/18/68/38/131186838.db2.gz DPIOVDNPRGHCKY-NXEZZACHSA-N 0 1 309.326 0.171 10 5 DCBEMN O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]C[C@H]1CCCC[NH2+]1 ZINC000095091864 415548812 /nfs/dbraw/zinc/54/88/12/415548812.db2.gz ILVPAOCWAQSYIX-SECBINFHSA-N 0 1 300.340 0.410 10 5 DCBEMN CC[C@H](O)CN1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000172819624 416050039 /nfs/dbraw/zinc/05/00/39/416050039.db2.gz YBVTZALSJNWTKO-LBPRGKRZSA-N 0 1 322.365 0.587 10 5 DCBEMN Cc1nc([C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)CCO2)n[nH]1 ZINC000176270422 416123372 /nfs/dbraw/zinc/12/33/72/416123372.db2.gz CCNTUPFJJKOQRL-JTQLQIEISA-N 0 1 307.314 0.291 10 5 DCBEMN O=C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1 ZINC000073460346 191318415 /nfs/dbraw/zinc/31/84/15/191318415.db2.gz VHBGVDBOALZLTO-GFCCVEGCSA-N 0 1 309.322 0.156 10 5 DCBEMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@@]2(CCOC2)C1 ZINC000274610427 395961176 /nfs/dbraw/zinc/96/11/76/395961176.db2.gz ZAOLABFBARFJGJ-AWEZNQCLSA-N 0 1 308.290 0.932 10 5 DCBEMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000279355148 396168249 /nfs/dbraw/zinc/16/82/49/396168249.db2.gz CHOAUYVPXZIMEY-CQSZACIVSA-N 0 1 305.290 0.653 10 5 DCBEMN CCCc1[nH]nc(C(=O)N2CCCN(C)C(=O)C2)c1[N+](=O)[O-] ZINC000190377641 396405892 /nfs/dbraw/zinc/40/58/92/396405892.db2.gz DEWDZHBUSOVEPC-UHFFFAOYSA-N 0 1 309.326 0.575 10 5 DCBEMN COCCN1CCC[C@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000119593005 158188993 /nfs/dbraw/zinc/18/89/93/158188993.db2.gz ZPUQXZPETRYKHA-JTQLQIEISA-N 0 1 311.342 0.169 10 5 DCBEMN CCc1nn(C)c(N2CC[C@@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000408030649 160016593 /nfs/dbraw/zinc/01/65/93/160016593.db2.gz MLTQVAUSNWARAW-RYUDHWBXSA-N 0 1 309.370 0.800 10 5 DCBEMN CN1CCO[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000356913932 416005211 /nfs/dbraw/zinc/00/52/11/416005211.db2.gz OPKRQFYUEQBCBI-CHWSQXEVSA-N 0 1 307.306 0.455 10 5 DCBEMN Cc1c(CC(=O)NC2(c3nn[nH]n3)CC2)cccc1[N+](=O)[O-] ZINC000357078378 416031968 /nfs/dbraw/zinc/03/19/68/416031968.db2.gz OWUAYLAAAJMTOX-UHFFFAOYSA-N 0 1 302.294 0.764 10 5 DCBEMN CN1CCO[C@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000285259427 277129582 /nfs/dbraw/zinc/12/95/82/277129582.db2.gz ZMEKNCQPCXTLNU-KGLIPLIRSA-N 0 1 320.349 0.603 10 5 DCBEMN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CNC[C@H](F)C1 ZINC000757067505 670348199 /nfs/dbraw/zinc/34/81/99/670348199.db2.gz FJUQDAZZNGHYCJ-BDAKNGLRSA-N 0 1 303.315 0.573 10 5 DCBEMN Cc1nn(C)c(C(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000408040140 282255290 /nfs/dbraw/zinc/25/52/90/282255290.db2.gz DISBGGWUKHZUPK-QWRGUYRKSA-N 0 1 323.353 0.182 10 5 DCBEMN C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H]1C ZINC000182052528 199380422 /nfs/dbraw/zinc/38/04/22/199380422.db2.gz RTLICRJVPULJSD-GHMZBOCLSA-N 0 1 323.349 0.828 10 5 DCBEMN C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H]1C ZINC000182052528 199380423 /nfs/dbraw/zinc/38/04/23/199380423.db2.gz RTLICRJVPULJSD-GHMZBOCLSA-N 0 1 323.349 0.828 10 5 DCBEMN O=C(Nc1ccc([N+](=O)[O-])cc1O)N[C@@H]1C=CS(=O)(=O)C1 ZINC000040166741 183042771 /nfs/dbraw/zinc/04/27/71/183042771.db2.gz URHISUMZAIGBHG-SSDOTTSWSA-N 0 1 313.291 0.733 10 5 DCBEMN C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000112548585 395818564 /nfs/dbraw/zinc/81/85/64/395818564.db2.gz ULPRPNOBXLWFMK-SMDDNHRTSA-N 0 1 322.365 0.842 10 5 DCBEMN C[C@H]1CN(C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CCO1 ZINC000136502714 158342425 /nfs/dbraw/zinc/34/24/25/158342425.db2.gz UJFCNASFEWLNFP-JTQLQIEISA-N 0 1 323.353 0.643 10 5 DCBEMN C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1CCO ZINC000187705878 534474477 /nfs/dbraw/zinc/47/44/77/534474477.db2.gz LNERDGPYEUZYIP-LLVKDONJSA-N 0 1 322.365 0.192 10 5 DCBEMN Cn1cncc1CN[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000176998160 658440408 /nfs/dbraw/zinc/44/04/08/658440408.db2.gz TXVIIOQBTDSWQY-ZIAGYGMSSA-N 0 1 306.322 0.512 10 5 DCBEMN C[C@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000112548589 395818989 /nfs/dbraw/zinc/81/89/89/395818989.db2.gz ULPRPNOBXLWFMK-FZMZJTMJSA-N 0 1 322.365 0.842 10 5 DCBEMN O=C(Nc1ccc([N+](=O)[O-])cc1O)C(=S)N1CCOCC1 ZINC000256030155 396033623 /nfs/dbraw/zinc/03/36/23/396033623.db2.gz KCAOVFMVNGHWQW-UHFFFAOYSA-N 0 1 311.319 0.899 10 5 DCBEMN CCN1CC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1=O ZINC000619825268 397197526 /nfs/dbraw/zinc/19/75/26/397197526.db2.gz JQVYALFHRINCKR-LLVKDONJSA-N 0 1 317.305 0.822 10 5 DCBEMN Cc1nn(C)c(C(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000408040141 397344711 /nfs/dbraw/zinc/34/47/11/397344711.db2.gz DISBGGWUKHZUPK-WDEREUQCSA-N 0 1 323.353 0.182 10 5 DCBEMN COc1ccc([N+](=O)[O-])cc1CN(C)CC(=O)N1CCNCC1 ZINC000261631629 416335599 /nfs/dbraw/zinc/33/55/99/416335599.db2.gz CBENFXRLTNSYPB-UHFFFAOYSA-N 0 1 322.365 0.467 10 5 DCBEMN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCc1nnc[nH]1 ZINC000362602101 262051370 /nfs/dbraw/zinc/05/13/70/262051370.db2.gz NFFYCGCRZNWUBU-UHFFFAOYSA-N 0 1 319.277 0.343 10 5 DCBEMN C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])[C@H]2C1 ZINC000285828632 290168070 /nfs/dbraw/zinc/16/80/70/290168070.db2.gz PHFVZQQGDRBYMD-STQMWFEESA-N 0 1 321.333 0.846 10 5 DCBEMN O=C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1 ZINC000181752197 199347500 /nfs/dbraw/zinc/34/75/00/199347500.db2.gz VBPBVEBRYNVHDJ-LLVKDONJSA-N 0 1 309.322 0.156 10 5 DCBEMN CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000179484921 199043271 /nfs/dbraw/zinc/04/32/71/199043271.db2.gz YRDZJWGKWAKOFO-GFCCVEGCSA-N 0 1 323.349 0.829 10 5 DCBEMN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nnc[nH]1 ZINC000183200685 396265004 /nfs/dbraw/zinc/26/50/04/396265004.db2.gz AMPSSOORYRWNSS-YFKPBYRVSA-N 0 1 303.325 0.814 10 5 DCBEMN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC(=O)N1CCNCC1 ZINC000261619579 158723296 /nfs/dbraw/zinc/72/32/96/158723296.db2.gz APRCBVVMUBJWPO-UHFFFAOYSA-N 0 1 320.349 0.407 10 5 DCBEMN O=[N+]([O-])c1ccc2[n-]c(S(=O)(=O)[C@H]3CCC[NH2+]C3)nc2c1 ZINC000095092095 415547335 /nfs/dbraw/zinc/54/73/35/415547335.db2.gz JVUVGBICYZUMPK-VIFPVBQESA-N 0 1 310.335 0.997 10 5 DCBEMN Cc1sc(C(=O)NCCCc2nc(=O)[nH][nH]2)cc1[N+](=O)[O-] ZINC000176254757 416122187 /nfs/dbraw/zinc/12/21/87/416122187.db2.gz SGLVIPZRQSGOCD-UHFFFAOYSA-N 0 1 311.323 0.739 10 5 DCBEMN CCc1[nH]nc(C(=O)N2CC(OCCCOC)C2)c1[N+](=O)[O-] ZINC000176511956 416127421 /nfs/dbraw/zinc/12/74/21/416127421.db2.gz JPZKYMMKYUUFJS-UHFFFAOYSA-N 0 1 312.326 0.758 10 5 DCBEMN Cc1nc(CN2CCN(c3c([N+](=O)[O-])ncn3C)CC2)n[nH]1 ZINC000359099933 271094796 /nfs/dbraw/zinc/09/47/96/271094796.db2.gz PJZDKZHETFEPFI-UHFFFAOYSA-N 0 1 306.330 0.077 10 5 DCBEMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCc1cnc[nH]1 ZINC000126536865 1177247275 /nfs/dbraw/zinc/24/72/75/1177247275.db2.gz BKYZNMLJBGPYBF-UHFFFAOYSA-N 0 1 300.271 0.936 10 5 DCBEMN O=C(NCCNC(=O)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000159640420 291235332 /nfs/dbraw/zinc/23/53/32/291235332.db2.gz ORDFTKCCYHDDFY-UHFFFAOYSA-N 0 1 303.278 0.478 10 5 DCBEMN CCc1[nH]nc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)c1[N+](=O)[O-] ZINC000408298900 160079227 /nfs/dbraw/zinc/07/92/27/160079227.db2.gz RGBLMQXZIOCGHK-ZJUUUORDSA-N 0 1 309.326 0.035 10 5 DCBEMN CN1CCO[C@H]2CN(c3nc4sccn4c3[N+](=O)[O-])C[C@H]21 ZINC000301651949 416089018 /nfs/dbraw/zinc/08/90/18/416089018.db2.gz KBVHEQWGNVPSAW-BDAKNGLRSA-N 0 1 309.351 0.823 10 5 DCBEMN COC(=O)COc1ccc(CN(C)CCCO)cc1[N+](=O)[O-] ZINC000442968470 416723538 /nfs/dbraw/zinc/72/35/38/416723538.db2.gz WXTCUWNGWXTKPM-UHFFFAOYSA-N 0 1 312.322 0.961 10 5 DCBEMN CCCc1[nH]nc(C(=O)N2CCN3CCOC[C@H]3C2)c1[N+](=O)[O-] ZINC000363851872 262134313 /nfs/dbraw/zinc/13/43/13/262134313.db2.gz IRYQQTAIKYMMDC-SNVBAGLBSA-N 0 1 323.353 0.427 10 5 DCBEMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)Cn1ccnn1 ZINC000459696554 272005502 /nfs/dbraw/zinc/00/55/02/272005502.db2.gz LNHMOPHIFUIMRF-CYBMUJFWSA-N 0 1 321.337 0.736 10 5 DCBEMN CCc1nc([C@@H]2CN(c3c([N+](=O)[O-])c(C)nn3C)CCO2)n[nH]1 ZINC000131627117 522139027 /nfs/dbraw/zinc/13/90/27/522139027.db2.gz CVOXKKIDNXSCGL-VIFPVBQESA-N 0 1 321.341 0.895 10 5 DCBEMN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000160470320 527027478 /nfs/dbraw/zinc/02/74/78/527027478.db2.gz NYWPJCQFMWBLMS-VIFPVBQESA-N 0 1 317.309 0.507 10 5 DCBEMN NC(=O)c1cc([N+](=O)[O-])cnc1NCCN1CCCOCC1 ZINC000188498196 527035114 /nfs/dbraw/zinc/03/51/14/527035114.db2.gz ZPVAPETXGXFGTK-UHFFFAOYSA-N 0 1 309.326 0.223 10 5 DCBEMN CC[C@@H](NCC(=O)N1CCNC(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000181560866 199317947 /nfs/dbraw/zinc/31/79/47/199317947.db2.gz NHHBTWPQMAYFIU-CYBMUJFWSA-N 0 1 320.349 0.594 10 5 DCBEMN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCN1CCO ZINC000187678201 237353822 /nfs/dbraw/zinc/35/38/22/237353822.db2.gz PZBYNAHHGOPULC-CYBMUJFWSA-N 0 1 309.366 0.972 10 5 DCBEMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195049823 395814467 /nfs/dbraw/zinc/81/44/67/395814467.db2.gz NZPQRMDFGMGWPM-GFCCVEGCSA-N 0 1 307.354 0.796 10 5 DCBEMN O=C(NCc1cccnc1-n1cc[nH+]c1)c1[n-]ncc1[N+](=O)[O-] ZINC000135004992 158332424 /nfs/dbraw/zinc/33/24/24/158332424.db2.gz BENQISBPWVBSTG-UHFFFAOYSA-N 0 1 313.277 0.829 10 5 DCBEMN Cc1nc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)no1 ZINC000173399645 416056986 /nfs/dbraw/zinc/05/69/86/416056986.db2.gz JNHLBQXFBZCADI-UHFFFAOYSA-N 0 1 316.270 0.904 10 5 DCBEMN CCOCCN1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000176232640 416122695 /nfs/dbraw/zinc/12/26/95/416122695.db2.gz PBJOSFYXNYSDPJ-ZDUSSCGKSA-N 0 1 311.386 0.834 10 5 DCBEMN O=[N+]([O-])c1ccc(CNC[C@H](O)Cn2ccnn2)c(Cl)c1 ZINC000459696666 272005678 /nfs/dbraw/zinc/00/56/78/272005678.db2.gz MATZXLPQUDEZRW-NSHDSACASA-N 0 1 311.729 0.990 10 5 DCBEMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000248235810 1183385493 /nfs/dbraw/zinc/38/54/93/1183385493.db2.gz DNKSUTGYJRWBEC-WHGOUJPWSA-N 0 1 313.335 0.176 10 5 DCBEMN CN(C[C@@H](O)CN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000091483126 395725141 /nfs/dbraw/zinc/72/51/41/395725141.db2.gz KCWCBBSRHTZCOA-OAHLLOKOSA-N 0 1 308.382 0.639 10 5 DCBEMN C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000097106845 415585598 /nfs/dbraw/zinc/58/55/98/415585598.db2.gz OOACTAIQSZCLFL-SNVBAGLBSA-N 0 1 308.338 0.887 10 5 DCBEMN C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000097106845 415585605 /nfs/dbraw/zinc/58/56/05/415585605.db2.gz OOACTAIQSZCLFL-SNVBAGLBSA-N 0 1 308.338 0.887 10 5 DCBEMN CN1CCO[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])C[C@H]21 ZINC000301651950 416089175 /nfs/dbraw/zinc/08/91/75/416089175.db2.gz KBVHEQWGNVPSAW-RKDXNWHRSA-N 0 1 309.351 0.823 10 5 DCBEMN CCCc1[nH]nc(C(=O)N2CCN3CCOC[C@@H]3C2)c1[N+](=O)[O-] ZINC000363851871 262134102 /nfs/dbraw/zinc/13/41/02/262134102.db2.gz IRYQQTAIKYMMDC-JTQLQIEISA-N 0 1 323.353 0.427 10 5 DCBEMN CN1CCO[C@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000284428056 131080299 /nfs/dbraw/zinc/08/02/99/131080299.db2.gz FKHLKRYKOCWVDB-KBPBESRZSA-N 0 1 321.333 0.846 10 5 DCBEMN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(=O)N2CCNCC2)c1 ZINC000261781888 396064963 /nfs/dbraw/zinc/06/49/63/396064963.db2.gz RVSKXCXTNRDPGD-UHFFFAOYSA-N 0 1 320.349 0.407 10 5 DCBEMN O=[N+]([O-])c1ccn(CCN2CCCN(c3cccnn3)CC2)n1 ZINC000176231904 396152109 /nfs/dbraw/zinc/15/21/09/396152109.db2.gz SOJLZSOYDBSTIM-UHFFFAOYSA-N 0 1 317.353 0.794 10 5 DCBEMN C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)N1CCN(C)CC1 ZINC000263930499 396243167 /nfs/dbraw/zinc/24/31/67/396243167.db2.gz UQUGZAVWMGNBLQ-JTQLQIEISA-N 0 1 322.369 0.137 10 5 DCBEMN Cc1cc(C[C@H](C)NC(=O)c2ccnc(N)c2[N+](=O)[O-])n[nH]1 ZINC000548713174 416691416 /nfs/dbraw/zinc/69/14/16/416691416.db2.gz DRFCIQGZDOMZKP-ZETCQYMHSA-N 0 1 304.310 0.965 10 5 DCBEMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN(C)C ZINC000012141056 395687102 /nfs/dbraw/zinc/68/71/02/395687102.db2.gz BCEAYQIGFZCSHL-UHFFFAOYSA-N 0 1 303.340 0.443 10 5 DCBEMN COc1cccc(N(C)CC(=O)N2CCNCC2)c1[N+](=O)[O-] ZINC000262071691 396096100 /nfs/dbraw/zinc/09/61/00/396096100.db2.gz GDNHPKRRNVYXLB-UHFFFAOYSA-N 0 1 308.338 0.471 10 5 DCBEMN NC(=O)c1ccc(CN2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000178638992 396202146 /nfs/dbraw/zinc/20/21/46/396202146.db2.gz HKMZQOZDNDXZBN-CYBMUJFWSA-N 0 1 304.350 0.974 10 5 DCBEMN COc1ccc(CC(=O)NC2(c3nn[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000564769384 396867234 /nfs/dbraw/zinc/86/72/34/396867234.db2.gz JMLWRTCQAZHGEV-UHFFFAOYSA-N 0 1 318.293 0.465 10 5 DCBEMN CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000301661157 416087714 /nfs/dbraw/zinc/08/77/14/416087714.db2.gz MQBKACWLTFXNFW-KBPBESRZSA-N 0 1 320.349 0.474 10 5 DCBEMN C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@@H]2C1 ZINC000285834241 290167832 /nfs/dbraw/zinc/16/78/32/290167832.db2.gz POBHXXSRIFJTFP-OCCSQVGLSA-N 0 1 321.333 0.846 10 5 DCBEMN Nc1c(Cl)cc(C(=O)NCCc2nc[nH]n2)cc1[N+](=O)[O-] ZINC000080633495 1174486012 /nfs/dbraw/zinc/48/60/12/1174486012.db2.gz VVFKCXJJZATICY-UHFFFAOYSA-N 0 1 310.701 0.921 10 5 DCBEMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cnc[nH]1 ZINC000088759525 1175274011 /nfs/dbraw/zinc/27/40/11/1175274011.db2.gz WRQLCGQFPITUGI-UHFFFAOYSA-N 0 1 312.307 0.805 10 5 DCBEMN COc1ccc([N+](=O)[O-])c(N(C)CC(=O)N2CCNCC2)c1 ZINC000261822214 396069575 /nfs/dbraw/zinc/06/95/75/396069575.db2.gz AUMLDRZNGJHWNQ-UHFFFAOYSA-N 0 1 308.338 0.471 10 5 DCBEMN Cc1[nH]nc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408028468 160015549 /nfs/dbraw/zinc/01/55/49/160015549.db2.gz DTJAFGDALRBTLO-ZJUUUORDSA-N 0 1 309.326 0.171 10 5 DCBEMN C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H]1C ZINC000245742185 287072660 /nfs/dbraw/zinc/07/26/60/287072660.db2.gz RTLICRJVPULJSD-MNOVXSKESA-N 0 1 323.349 0.828 10 5 DCBEMN C[C@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H]1C ZINC000245742185 287072663 /nfs/dbraw/zinc/07/26/63/287072663.db2.gz RTLICRJVPULJSD-MNOVXSKESA-N 0 1 323.349 0.828 10 5 DCBEMN C[C@@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1C(N)=O ZINC000301198848 416077350 /nfs/dbraw/zinc/07/73/50/416077350.db2.gz PEFIYMDYYKZSHU-NSHDSACASA-N 0 1 321.381 0.742 10 5 DCBEMN COc1c(C(=O)NC2(c3nn[nH]n3)CC2)cccc1[N+](=O)[O-] ZINC000356928255 416007609 /nfs/dbraw/zinc/00/76/09/416007609.db2.gz IQDHFORDVFBLAZ-UHFFFAOYSA-N 0 1 304.266 0.536 10 5 DCBEMN COC[C@](C)(CCO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000182837975 416233343 /nfs/dbraw/zinc/23/33/43/416233343.db2.gz PNACOTQLDAZHED-AWEZNQCLSA-N 0 1 322.321 0.988 10 5 DCBEMN CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000129246896 522206296 /nfs/dbraw/zinc/20/62/96/522206296.db2.gz VBXREGADOCWMBX-GFCCVEGCSA-N 0 1 323.349 0.829 10 5 DCBEMN C[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000187280761 200088007 /nfs/dbraw/zinc/08/80/07/200088007.db2.gz KZIQFFHJHWQWNP-JTQLQIEISA-N 0 1 309.322 0.439 10 5 DCBEMN C[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000187280761 200088008 /nfs/dbraw/zinc/08/80/08/200088008.db2.gz KZIQFFHJHWQWNP-JTQLQIEISA-N 0 1 309.322 0.439 10 5 DCBEMN C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000187709613 237356707 /nfs/dbraw/zinc/35/67/07/237356707.db2.gz HTUUIRCMCDTBIO-ZDUSSCGKSA-N 0 1 309.366 0.972 10 5 DCBEMN Cc1[nH]nc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408028462 160015623 /nfs/dbraw/zinc/01/56/23/160015623.db2.gz DTJAFGDALRBTLO-NXEZZACHSA-N 0 1 309.326 0.171 10 5 DCBEMN CN1CC[C@H]2OCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000284845547 415602262 /nfs/dbraw/zinc/60/22/62/415602262.db2.gz CJKGCSVHRCXZRY-QWHCGFSZSA-N 0 1 320.349 0.722 10 5 DCBEMN C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@H]2C1 ZINC000285834234 290235703 /nfs/dbraw/zinc/23/57/03/290235703.db2.gz POBHXXSRIFJTFP-GXTWGEPZSA-N 0 1 321.333 0.846 10 5 DCBEMN COCCN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000131816398 523853531 /nfs/dbraw/zinc/85/35/31/523853531.db2.gz JFRCQCUPMUDUIB-ZDUSSCGKSA-N 0 1 324.381 0.409 10 5 DCBEMN C[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])[C@@H]2C1 ZINC000285114299 536479999 /nfs/dbraw/zinc/47/99/99/536479999.db2.gz VAEQHAWWJDETCO-DGCLKSJQSA-N 0 1 321.333 0.846 10 5 DCBEMN CC[C@H](CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000182136097 199391294 /nfs/dbraw/zinc/39/12/94/199391294.db2.gz QISUEHDQJHJZPY-LLVKDONJSA-N 0 1 323.349 0.829 10 5 DCBEMN O=[N+]([O-])c1cnn(CCN2CCCN(c3cccnn3)CC2)c1 ZINC000174848551 198393213 /nfs/dbraw/zinc/39/32/13/198393213.db2.gz QDOARRKJZCHMPT-UHFFFAOYSA-N 0 1 317.353 0.794 10 5 DCBEMN CN1CCO[C@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000356913935 416005708 /nfs/dbraw/zinc/00/57/08/416005708.db2.gz OPKRQFYUEQBCBI-STQMWFEESA-N 0 1 307.306 0.455 10 5 DCBEMN CNC(=O)[C@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000195526450 416326774 /nfs/dbraw/zinc/32/67/74/416326774.db2.gz FCGNCGPOKYKNSC-LLVKDONJSA-N 0 1 317.305 0.822 10 5 DCBEMN Cc1[nH]ncc1C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000557174177 416728502 /nfs/dbraw/zinc/72/85/02/416728502.db2.gz VELSSKVQRXBVEQ-UHFFFAOYSA-N 0 1 319.325 0.624 10 5 DCBEMN CC(=O)[C@](C)(O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450573575 417240376 /nfs/dbraw/zinc/24/03/76/417240376.db2.gz XNNHDDDWYFNFGJ-BXUZGUMPSA-N 0 1 308.338 0.816 10 5 DCBEMN CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000184342302 261118549 /nfs/dbraw/zinc/11/85/49/261118549.db2.gz FLVGAGNKZWONMS-UHFFFAOYSA-N 0 1 323.396 0.249 10 5 DCBEMN C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)[C@H]2C1 ZINC000285275516 536468725 /nfs/dbraw/zinc/46/87/25/536468725.db2.gz AWZLOEYESJWELE-JSGCOSHPSA-N 0 1 321.333 0.846 10 5 DCBEMN C[NH+]1CCN(N=c2[n-]cnc(-n3ccnc3)c2[N+](=O)[O-])CC1 ZINC000040623887 183110725 /nfs/dbraw/zinc/11/07/25/183110725.db2.gz WZTANHWKAUPJOZ-UHFFFAOYSA-N 0 1 304.314 0.145 10 5 DCBEMN C[C@@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000112548588 395819004 /nfs/dbraw/zinc/81/90/04/395819004.db2.gz ULPRPNOBXLWFMK-BXUZGUMPSA-N 0 1 322.365 0.842 10 5 DCBEMN CN(CC(=O)N1CCNCC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000261820184 396069659 /nfs/dbraw/zinc/06/96/59/396069659.db2.gz WLTJMNMCFVQFFQ-UHFFFAOYSA-N 0 1 324.312 0.238 10 5 DCBEMN C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285987687 396367804 /nfs/dbraw/zinc/36/78/04/396367804.db2.gz YDCOTTOPJQXPHQ-KBPBESRZSA-N 0 1 321.333 0.846 10 5 DCBEMN CCOCCN1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000245408085 287068796 /nfs/dbraw/zinc/06/87/96/287068796.db2.gz FOEOWJMBZQXRIK-CYBMUJFWSA-N 0 1 311.386 0.834 10 5 DCBEMN CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000164979929 416018848 /nfs/dbraw/zinc/01/88/48/416018848.db2.gz CDRUNTPAHPJEPU-LBPRGKRZSA-N 0 1 323.349 0.829 10 5 DCBEMN C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285716785 290168031 /nfs/dbraw/zinc/16/80/31/290168031.db2.gz JOBWVLSVIFBZKT-OCCSQVGLSA-N 0 1 321.333 0.846 10 5 DCBEMN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC(=O)N1CCNCC1 ZINC000261615847 658228417 /nfs/dbraw/zinc/22/84/17/658228417.db2.gz ABCLJPRFUMXLLS-UHFFFAOYSA-N 0 1 320.349 0.407 10 5 DCBEMN CNC(=O)[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000178586194 416165802 /nfs/dbraw/zinc/16/58/02/416165802.db2.gz YMDZDDFOONTDAN-LLVKDONJSA-N 0 1 319.321 0.972 10 5 DCBEMN CCc1nc([C@H]2CN(c3c([N+](=O)[O-])c(C)nn3C)CCO2)n[nH]1 ZINC000131627335 522141181 /nfs/dbraw/zinc/14/11/81/522141181.db2.gz CVOXKKIDNXSCGL-SECBINFHSA-N 0 1 321.341 0.895 10 5 DCBEMN CC(=O)[C@@H](O)[C@@H](O)N(CCc1ccc(O)c([N+](=O)[O-])c1)N=O ZINC000299754614 527131372 /nfs/dbraw/zinc/13/13/72/527131372.db2.gz ATSJJPKTXXFWFI-VXGBXAGGSA-N 0 1 313.266 0.095 10 5 DCBEMN CN(CC(=O)N1CCNCC1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000261638610 661338638 /nfs/dbraw/zinc/33/86/38/661338638.db2.gz CZZJNKCPSLYNPP-UHFFFAOYSA-N 0 1 324.312 0.238 10 5 DCBEMN CCS(=O)(=O)NCCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000131422936 1177521471 /nfs/dbraw/zinc/52/14/71/1177521471.db2.gz HAYPYXOHUPYAQQ-UHFFFAOYSA-N 0 1 301.368 0.932 10 5 DCBEMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1cc[nH]n1 ZINC000313616326 1190396507 /nfs/dbraw/zinc/39/65/07/1190396507.db2.gz DYWISBVUZWKKDF-UHFFFAOYSA-N 0 1 300.271 0.936 10 5 DCBEMN COCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184296709 396290455 /nfs/dbraw/zinc/29/04/55/396290455.db2.gz HOWXTQQPJANOQB-JTQLQIEISA-N 0 1 323.353 0.413 10 5 DCBEMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408183475 160054397 /nfs/dbraw/zinc/05/43/97/160054397.db2.gz RKCFETYPNRXLEL-QWRGUYRKSA-N 0 1 308.342 0.272 10 5 DCBEMN Cc1n[nH]c(C(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285623739 415614438 /nfs/dbraw/zinc/61/44/38/415614438.db2.gz DPIOVDNPRGHCKY-VHSXEESVSA-N 0 1 309.326 0.171 10 5 DCBEMN Cc1[nH]nc(C(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285623739 415614445 /nfs/dbraw/zinc/61/44/45/415614445.db2.gz DPIOVDNPRGHCKY-VHSXEESVSA-N 0 1 309.326 0.171 10 5 DCBEMN Cc1nc([C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CCO2)n[nH]1 ZINC000174878657 416090258 /nfs/dbraw/zinc/09/02/58/416090258.db2.gz SPZFULZRQGWOCM-LLVKDONJSA-N 0 1 307.314 0.291 10 5 DCBEMN CC[C@H](CO)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000129236281 522204329 /nfs/dbraw/zinc/20/43/29/522204329.db2.gz USSNGGBUJXPAFE-LLVKDONJSA-N 0 1 323.349 0.829 10 5 DCBEMN CCc1[nH]nc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000284758012 536002378 /nfs/dbraw/zinc/00/23/78/536002378.db2.gz OMYGRIFELWXEBI-GHMZBOCLSA-N 0 1 323.353 0.425 10 5 DCBEMN CN(CC(=O)N1CCNCC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000038031223 395730740 /nfs/dbraw/zinc/73/07/40/395730740.db2.gz IKOXGYXKSPEJMP-UHFFFAOYSA-N 0 1 312.351 0.160 10 5 DCBEMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@]2(CCOC2)C1 ZINC000274610429 395961372 /nfs/dbraw/zinc/96/13/72/395961372.db2.gz ZAOLABFBARFJGJ-CQSZACIVSA-N 0 1 308.290 0.932 10 5 DCBEMN CN(CC(=O)N1CCNCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000262560676 396155697 /nfs/dbraw/zinc/15/56/97/396155697.db2.gz VJDBBZYWBKCQRN-UHFFFAOYSA-N 0 1 310.329 0.598 10 5 DCBEMN CC(C)(C(=O)N1CCN2CCC1CC2)n1cc([N+](=O)[O-])cn1 ZINC000408277121 160074306 /nfs/dbraw/zinc/07/43/06/160074306.db2.gz OFHPVZCJICVCHD-UHFFFAOYSA-N 0 1 307.354 0.833 10 5 DCBEMN CCc1[nH]nc(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000408298898 160078980 /nfs/dbraw/zinc/07/89/80/160078980.db2.gz RGBLMQXZIOCGHK-UWVGGRQHSA-N 0 1 309.326 0.035 10 5 DCBEMN O=C(Cn1cc([N+](=O)[O-])cn1)NCCCCN1CCOCC1 ZINC000048286229 415285693 /nfs/dbraw/zinc/28/56/93/415285693.db2.gz BZQQNHXURQOJQH-UHFFFAOYSA-N 0 1 311.342 0.020 10 5 DCBEMN C[C@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1C(N)=O ZINC000301198845 416077288 /nfs/dbraw/zinc/07/72/88/416077288.db2.gz PEFIYMDYYKZSHU-LLVKDONJSA-N 0 1 321.381 0.742 10 5 DCBEMN CCOC(=O)[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC12COC2 ZINC000451144853 417305885 /nfs/dbraw/zinc/30/58/85/417305885.db2.gz YKKJYGGRTPGULO-LLVKDONJSA-N 0 1 324.337 0.303 10 5 DCBEMN CN1C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC1=O ZINC000131164033 524012984 /nfs/dbraw/zinc/01/29/84/524012984.db2.gz DUMAGENMEYQZAU-QMMMGPOBSA-N 0 1 317.305 0.822 10 5 DCBEMN CCc1[nH]nc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000284758023 536000703 /nfs/dbraw/zinc/00/07/03/536000703.db2.gz OMYGRIFELWXEBI-QWRGUYRKSA-N 0 1 323.353 0.425 10 5 DCBEMN C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)[C@H]2C1 ZINC000285716780 536469010 /nfs/dbraw/zinc/46/90/10/536469010.db2.gz JOBWVLSVIFBZKT-JSGCOSHPSA-N 0 1 321.333 0.846 10 5 DCBEMN C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000112548745 395818920 /nfs/dbraw/zinc/81/89/20/395818920.db2.gz CVCYHFSAGPAUMO-NWDGAFQWSA-N 0 1 322.365 0.842 10 5 DCBEMN CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151728126 395991541 /nfs/dbraw/zinc/99/15/41/395991541.db2.gz GXAREAWKRHXKMW-LBPRGKRZSA-N 0 1 324.385 0.917 10 5 DCBEMN CCc1[nH]nc(C(=O)N(C)CC(=O)NC(C)(C)C)c1[N+](=O)[O-] ZINC000171397919 396116421 /nfs/dbraw/zinc/11/64/21/396116421.db2.gz FHSHAMMGUHTQST-UHFFFAOYSA-N 0 1 311.342 0.867 10 5 DCBEMN COC[C@@](C)(CCO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000079920586 396272710 /nfs/dbraw/zinc/27/27/10/396272710.db2.gz AHNFSXWGBMICMN-CQSZACIVSA-N 0 1 311.338 0.910 10 5 DCBEMN COC(=O)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000136768530 287027250 /nfs/dbraw/zinc/02/72/50/287027250.db2.gz JVKJFJXUJJGKKC-SNVBAGLBSA-N 0 1 304.262 0.962 10 5 DCBEMN CC[C@H](CO)N1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302069274 416098242 /nfs/dbraw/zinc/09/82/42/416098242.db2.gz VCMBKUCTYUGYNX-CYBMUJFWSA-N 0 1 309.366 0.980 10 5 DCBEMN COC[C@@](C)(CCO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000182837958 416233547 /nfs/dbraw/zinc/23/35/47/416233547.db2.gz PNACOTQLDAZHED-CQSZACIVSA-N 0 1 322.321 0.988 10 5 DCBEMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000179344050 416184925 /nfs/dbraw/zinc/18/49/25/416184925.db2.gz SPARMJXUXXVJSB-SNVBAGLBSA-N 0 1 319.325 0.972 10 5 DCBEMN CC[C@H](NCC(=O)N1CCNC(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000181560847 199317558 /nfs/dbraw/zinc/31/75/58/199317558.db2.gz NHHBTWPQMAYFIU-ZDUSSCGKSA-N 0 1 320.349 0.594 10 5 DCBEMN C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000247504063 287094375 /nfs/dbraw/zinc/09/43/75/287094375.db2.gz MPOFGRBFUVXGJC-QWRGUYRKSA-N 0 1 323.349 0.828 10 5 DCBEMN C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000247504063 287094377 /nfs/dbraw/zinc/09/43/77/287094377.db2.gz MPOFGRBFUVXGJC-QWRGUYRKSA-N 0 1 323.349 0.828 10 5 DCBEMN CC(=O)[C@@](C)(O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450573576 417239762 /nfs/dbraw/zinc/23/97/62/417239762.db2.gz XNNHDDDWYFNFGJ-FZMZJTMJSA-N 0 1 308.338 0.816 10 5 DCBEMN CC(C)c1[nH]nc(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000408223314 278001653 /nfs/dbraw/zinc/00/16/53/278001653.db2.gz BSQBZAXXPUCECE-VHSXEESVSA-N 0 1 323.353 0.596 10 5 DCBEMN O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NCc2ccc(CO)o2)cc1 ZINC000156151322 527379242 /nfs/dbraw/zinc/37/92/42/527379242.db2.gz RKIIJQBCNWMUCJ-GJZGRUSLSA-N 0 1 322.317 0.864 10 5 DCBEMN COc1ccc(S(=O)(=O)NCc2cnc[nH]2)c([N+](=O)[O-])c1 ZINC000088759619 1175274177 /nfs/dbraw/zinc/27/41/77/1175274177.db2.gz AVVMOUOFWJIOAQ-UHFFFAOYSA-N 0 1 312.307 0.805 10 5 DCBEMN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(C2CCC2)CC1 ZINC000264915415 204264254 /nfs/dbraw/zinc/26/42/54/204264254.db2.gz GKTOKZHDXKQVLK-UHFFFAOYSA-N 0 1 305.338 0.763 10 5 DCBEMN C[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000040715005 395734703 /nfs/dbraw/zinc/73/47/03/395734703.db2.gz VOBQMPUSBPHMHB-VIFPVBQESA-N 0 1 315.351 0.673 10 5 DCBEMN C[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000040715005 395734705 /nfs/dbraw/zinc/73/47/05/395734705.db2.gz VOBQMPUSBPHMHB-VIFPVBQESA-N 0 1 315.351 0.673 10 5 DCBEMN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCN(C)CC1 ZINC000194772942 395807608 /nfs/dbraw/zinc/80/76/08/395807608.db2.gz HJGHUIJOIIKEBY-UHFFFAOYSA-N 0 1 306.366 0.880 10 5 DCBEMN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN2CCCC[C@@H]2C1 ZINC000195368754 395825388 /nfs/dbraw/zinc/82/53/88/395825388.db2.gz HABSWTXSOOBPAR-GFCCVEGCSA-N 0 1 320.349 0.453 10 5 DCBEMN CS(=O)(=O)N[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000116889613 395848621 /nfs/dbraw/zinc/84/86/21/395848621.db2.gz BTZMBMNDRCTQAK-LBPRGKRZSA-N 0 1 313.379 0.761 10 5 DCBEMN CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000153124349 396021597 /nfs/dbraw/zinc/02/15/97/396021597.db2.gz MQBKACWLTFXNFW-UONOGXRCSA-N 0 1 320.349 0.474 10 5 DCBEMN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C[C@@H](C)O)CC1 ZINC000302542027 396720714 /nfs/dbraw/zinc/72/07/14/396720714.db2.gz ODZKMACYEJFMDR-LLVKDONJSA-N 0 1 322.365 0.457 10 5 DCBEMN CN1C(=O)N[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000408052095 160023688 /nfs/dbraw/zinc/02/36/88/160023688.db2.gz NMJUNYYXLUYWNY-NEPJUHHUSA-N 0 1 320.305 0.539 10 5 DCBEMN CC(=O)[C@H](O)[C@H](O)N(CCc1ccc(O)c([N+](=O)[O-])c1)N=O ZINC000299754613 527150975 /nfs/dbraw/zinc/15/09/75/527150975.db2.gz ATSJJPKTXXFWFI-RYUDHWBXSA-N 0 1 313.266 0.095 10 5 DCBEMN CN(CC(=O)N1CCNCC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000261640196 396051741 /nfs/dbraw/zinc/05/17/41/396051741.db2.gz DVXMKUQGYZJRLB-UHFFFAOYSA-N 0 1 320.349 0.028 10 5 DCBEMN CN(CC(=O)N1CCNCC1)c1nc2sccn2c1[N+](=O)[O-] ZINC000261975663 396086241 /nfs/dbraw/zinc/08/62/41/396086241.db2.gz QPHRVSCFWRGOIN-UHFFFAOYSA-N 0 1 324.366 0.172 10 5 DCBEMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CC[NH2+]C1 ZINC000126851731 158268578 /nfs/dbraw/zinc/26/85/78/158268578.db2.gz GWQNSTAXKITDMQ-QMMMGPOBSA-N 0 1 303.315 0.622 10 5 DCBEMN C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(N)=O)N1CCN(C)CC1 ZINC000301231718 416077987 /nfs/dbraw/zinc/07/79/87/416077987.db2.gz JRDAIIGLJRJNRI-NSHDSACASA-N 0 1 321.381 0.742 10 5 DCBEMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000179344059 416184619 /nfs/dbraw/zinc/18/46/19/416184619.db2.gz SPARMJXUXXVJSB-JTQLQIEISA-N 0 1 319.325 0.972 10 5 DCBEMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](n2cncn2)C1 ZINC000179211782 416185422 /nfs/dbraw/zinc/18/54/22/416185422.db2.gz WCAPGDSCSRSBCP-LBPRGKRZSA-N 0 1 318.337 0.685 10 5 DCBEMN CCc1nc([C@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)CCO2)n[nH]1 ZINC000131643432 522140532 /nfs/dbraw/zinc/14/05/32/522140532.db2.gz XLTSRJZXIAFRCY-MRVPVSSYSA-N 0 1 320.313 0.225 10 5 DCBEMN O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)NCc2ccc(CO)o2)cc1 ZINC000156151446 527377178 /nfs/dbraw/zinc/37/71/78/527377178.db2.gz RKIIJQBCNWMUCJ-LSDHHAIUSA-N 0 1 322.317 0.864 10 5 DCBEMN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2[nH]nc3c2C[NH2+]CC3)cc1 ZINC000170270507 664575469 /nfs/dbraw/zinc/57/54/69/664575469.db2.gz PFUSLTANIKJWJS-UHFFFAOYSA-N 0 1 323.334 0.764 10 5 DCBEMN CN1CC[C@@H]2OCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000284845545 283087645 /nfs/dbraw/zinc/08/76/45/283087645.db2.gz CJKGCSVHRCXZRY-OLZOCXBDSA-N 0 1 320.349 0.722 10 5 DCBEMN O=C(N[C@H]1CCCN(c2ncccn2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000179537572 199052558 /nfs/dbraw/zinc/05/25/58/199052558.db2.gz DUNCMXGXMWDXMM-VIFPVBQESA-N 0 1 317.309 0.507 10 5 DCBEMN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000187709598 237355527 /nfs/dbraw/zinc/35/55/27/237355527.db2.gz HTUUIRCMCDTBIO-CYBMUJFWSA-N 0 1 309.366 0.972 10 5 DCBEMN CS(=O)(=O)N[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000116889610 395849059 /nfs/dbraw/zinc/84/90/59/395849059.db2.gz BTZMBMNDRCTQAK-GFCCVEGCSA-N 0 1 313.379 0.761 10 5 DCBEMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCS1(=O)=O ZINC000272575331 395900375 /nfs/dbraw/zinc/90/03/75/395900375.db2.gz SPSLBVORFPVHLR-MRVPVSSYSA-N 0 1 314.319 0.560 10 5 DCBEMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000407954948 397336328 /nfs/dbraw/zinc/33/63/28/397336328.db2.gz IKRTUDILHRBCRU-VXGBXAGGSA-N 0 1 305.290 0.651 10 5 DCBEMN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181400189 416206166 /nfs/dbraw/zinc/20/61/66/416206166.db2.gz WKSOAMRGAIVSIJ-JTQLQIEISA-N 0 1 305.298 0.663 10 5 DCBEMN CC1=CCN(CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000358184776 416207103 /nfs/dbraw/zinc/20/71/03/416207103.db2.gz GUTKPXFMLLVFRL-UHFFFAOYSA-N 0 1 322.369 0.743 10 5 DCBEMN C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H](C)N1CCO ZINC000450796929 417269573 /nfs/dbraw/zinc/26/95/73/417269573.db2.gz RNVLJJIFHWEKNQ-PHIMTYICSA-N 0 1 320.353 0.529 10 5 DCBEMN O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000179537587 199052666 /nfs/dbraw/zinc/05/26/66/199052666.db2.gz DUNCMXGXMWDXMM-SECBINFHSA-N 0 1 317.309 0.507 10 5 DCBEMN CC(C)CN1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298393483 396709598 /nfs/dbraw/zinc/70/95/98/396709598.db2.gz FBFWKMNHFXCFTA-UHFFFAOYSA-N 0 1 307.354 0.867 10 5 DCBEMN O=[N+]([O-])c1ccc2[n-]c(S(=O)(=O)C3CC[NH2+]CC3)nc2c1 ZINC000095092096 415550259 /nfs/dbraw/zinc/55/02/59/415550259.db2.gz HDLBMELXASHADJ-UHFFFAOYSA-N 0 1 310.335 0.997 10 5 DCBEMN COC(=O)Cc1c[nH]n(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1=O ZINC000536952524 416551062 /nfs/dbraw/zinc/55/10/62/416551062.db2.gz CLPUVKOIJPKXCZ-UHFFFAOYSA-N 0 1 322.233 0.698 10 5 DCBEMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000447062862 416959446 /nfs/dbraw/zinc/95/94/46/416959446.db2.gz FSZHNASGMAQLSC-UHFFFAOYSA-N 0 1 321.341 0.866 10 5 DCBEMN C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@@H]2C1 ZINC000285834245 290235885 /nfs/dbraw/zinc/23/58/85/290235885.db2.gz POBHXXSRIFJTFP-TZMCWYRMSA-N 0 1 321.333 0.846 10 5 DCBEMN Cc1ccc(C(=O)N(C)CC(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC000261771774 661640339 /nfs/dbraw/zinc/64/03/39/661640339.db2.gz QVUQQNSPTNEJBP-UHFFFAOYSA-N 0 1 320.349 0.407 10 5 DCBEMN C[N@H+](CC(=O)[O-])C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCO1 ZINC000262182854 662151684 /nfs/dbraw/zinc/15/16/84/662151684.db2.gz XAABUXMQONOKRF-NSHDSACASA-N 0 1 324.337 0.399 10 5 DCBEMN CC[S@@](=O)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000733880863 666823802 /nfs/dbraw/zinc/82/38/02/666823802.db2.gz WIXAAGSLUXPPAE-OAQYLSRUSA-N 0 1 310.335 0.970 10 5 DCBEMN C[C@@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000112548747 395818732 /nfs/dbraw/zinc/81/87/32/395818732.db2.gz CVCYHFSAGPAUMO-VXGBXAGGSA-N 0 1 322.365 0.842 10 5 DCBEMN Cc1nc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)n[nH]1 ZINC000173528064 396135740 /nfs/dbraw/zinc/13/57/40/396135740.db2.gz ACEGOEDUSLRWSL-SECBINFHSA-N 0 1 307.266 0.828 10 5 DCBEMN C[C@@H]1C(=O)NCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000188089874 396378981 /nfs/dbraw/zinc/37/89/81/396378981.db2.gz ABPQXQLITXMOFH-MRVPVSSYSA-N 0 1 317.305 0.822 10 5 DCBEMN O=C(NCc1ccnc(-n2ccnc2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000137287313 158345535 /nfs/dbraw/zinc/34/55/35/158345535.db2.gz XPSUAFWAIGKCIU-UHFFFAOYSA-N 0 1 313.277 0.829 10 5 DCBEMN O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1[n-]ncc1[N+](=O)[O-] ZINC000137287313 158345539 /nfs/dbraw/zinc/34/55/39/158345539.db2.gz XPSUAFWAIGKCIU-UHFFFAOYSA-N 0 1 313.277 0.829 10 5 DCBEMN CC[C@@H](CO)N1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302069275 416096932 /nfs/dbraw/zinc/09/69/32/416096932.db2.gz VCMBKUCTYUGYNX-ZDUSSCGKSA-N 0 1 309.366 0.980 10 5 DCBEMN CCCc1[nH]nc(C(=O)N2CC(NC(=O)C3CC3)C2)c1[N+](=O)[O-] ZINC000189368965 521326393 /nfs/dbraw/zinc/32/63/93/521326393.db2.gz DOUYKALMSUHAGI-UHFFFAOYSA-N 0 1 321.337 0.621 10 5 DCBEMN C[N@@H+](CCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000062010865 1157809909 /nfs/dbraw/zinc/80/99/09/1157809909.db2.gz HBSOSRBIMTWLDY-UHFFFAOYSA-N 0 1 315.351 0.673 10 5 DCBEMN C[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000037647599 1171441353 /nfs/dbraw/zinc/44/13/53/1171441353.db2.gz ODXQMGRCWNXHEF-SECBINFHSA-N 0 1 315.351 0.530 10 5 DCBEMN Cc1c(C(=O)N(C)CC(=O)N2CCNCC2)cccc1[N+](=O)[O-] ZINC000261690528 396056793 /nfs/dbraw/zinc/05/67/93/396056793.db2.gz JBNKDCGYIBLNAZ-UHFFFAOYSA-N 0 1 320.349 0.407 10 5 DCBEMN O=C(CNc1nc2sccn2c1[N+](=O)[O-])N1CCNCC1 ZINC000037716283 270933859 /nfs/dbraw/zinc/93/38/59/270933859.db2.gz ZLZYZUCYANRZGT-UHFFFAOYSA-N 0 1 310.339 0.148 10 5 DCBEMN CN1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000284885792 283087512 /nfs/dbraw/zinc/08/75/12/283087512.db2.gz GFARHSSAVGQZCQ-OLZOCXBDSA-N 0 1 320.349 0.722 10 5 DCBEMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC(n2ccnn2)C1 ZINC000364722293 397239020 /nfs/dbraw/zinc/23/90/20/397239020.db2.gz NUHZZGKOSHFMBO-UHFFFAOYSA-N 0 1 313.277 0.760 10 5 DCBEMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC[N@@H+]1CCO ZINC000187274586 416261598 /nfs/dbraw/zinc/26/15/98/416261598.db2.gz LZBRZSHWVSPGJS-JTQLQIEISA-N 0 1 309.322 0.439 10 5 DCBEMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC[N@H+]1CCO ZINC000187274586 416261600 /nfs/dbraw/zinc/26/16/00/416261600.db2.gz LZBRZSHWVSPGJS-JTQLQIEISA-N 0 1 309.322 0.439 10 5 DCBEMN Cc1ccc2nc(CNC(=O)Cn3cnc([N+](=O)[O-])n3)[nH]c2c1 ZINC000362642147 262055082 /nfs/dbraw/zinc/05/50/82/262055082.db2.gz QBZCNKFYYFDRSA-UHFFFAOYSA-N 0 1 315.293 0.687 10 5 DCBEMN CCc1[nH]nc(C(=O)N2CC(NC(=O)C3CC3)C2)c1[N+](=O)[O-] ZINC000189046262 523665753 /nfs/dbraw/zinc/66/57/53/523665753.db2.gz PFABSGSRKZDDBT-UHFFFAOYSA-N 0 1 307.310 0.231 10 5 DCBEMN CCCc1[nH]nc(C(=O)N2CCO[C@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000183827300 186221897 /nfs/dbraw/zinc/22/18/97/186221897.db2.gz YWUBMMMZSSCJPJ-CQSZACIVSA-N 0 1 324.337 0.902 10 5 DCBEMN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@@H+]1CCO ZINC000187254356 200084141 /nfs/dbraw/zinc/08/41/41/200084141.db2.gz JUZMXGATMALDFN-SNVBAGLBSA-N 0 1 309.322 0.439 10 5 DCBEMN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@H+]1CCO ZINC000187254356 200084142 /nfs/dbraw/zinc/08/41/42/200084142.db2.gz JUZMXGATMALDFN-SNVBAGLBSA-N 0 1 309.322 0.439 10 5 DCBEMN O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000132232610 395926654 /nfs/dbraw/zinc/92/66/54/395926654.db2.gz PWERRKOERCWXMN-CYBMUJFWSA-N 0 1 322.365 0.163 10 5 DCBEMN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](N2CCOCC2)C1 ZINC000132232610 395926657 /nfs/dbraw/zinc/92/66/57/395926657.db2.gz PWERRKOERCWXMN-CYBMUJFWSA-N 0 1 322.365 0.163 10 5 DCBEMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000121761234 158214578 /nfs/dbraw/zinc/21/45/78/158214578.db2.gz IUMLDQGBHYAARM-VXGBXAGGSA-N 0 1 321.341 0.498 10 5 DCBEMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408183473 160054032 /nfs/dbraw/zinc/05/40/32/160054032.db2.gz RKCFETYPNRXLEL-GHMZBOCLSA-N 0 1 308.342 0.272 10 5 DCBEMN CCc1[nH]nc(C(=O)N2CCN3CCOC[C@@H]3C2)c1[N+](=O)[O-] ZINC000364005842 262140262 /nfs/dbraw/zinc/14/02/62/262140262.db2.gz YHCHRRVBHSQYFG-VIFPVBQESA-N 0 1 309.326 0.037 10 5 DCBEMN CN(C)c1ccncc1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000183979747 522309741 /nfs/dbraw/zinc/30/97/41/522309741.db2.gz QBNCNWHNYJFGAM-UHFFFAOYSA-N 0 1 304.310 0.682 10 5 DCBEMN CC[C@@H](CO)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000129236064 522555907 /nfs/dbraw/zinc/55/59/07/522555907.db2.gz USSNGGBUJXPAFE-NSHDSACASA-N 0 1 323.349 0.829 10 5 DCBEMN